[{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380169-01!4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,3-dihydroxy-2-methylbutanoic acid","exact_mass":312.085,"inchikey":"RUEPXZDDWQCITK-HWKANZROSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.094177,"smiles":"CC(O)(C(O)COC(=O)\\C=C\\C1=CC(O)=C(O)C=C1)C(O)=O","spectrum_id":"CCMSLIB00000845012","spectrum_index":0},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380169-01!4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,3-dihydroxy-2-methylbutanoic acid","exact_mass":312.085,"inchikey":"RUEPXZDDWQCITK-HWKANZROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.120361,"smiles":"CC(O)(C(O)COC(=O)\\C=C\\C1=CC(O)=C(O)C=C1)C(O)=O","spectrum_id":"CCMSLIB00000845013","spectrum_index":1},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380167-01!3-(4-hydroxy-3-methoxyphenyl)propyl 3-(4-hydroxyphenyl)propanoate","exact_mass":330.147,"inchikey":"ZXQHQUXJMNGVJP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.157501,"smiles":"COC1=CC(CCCOC(=O)CCC2=CC=C(O)C=C2)=CC=C1O","spectrum_id":"CCMSLIB00000845014","spectrum_index":2},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380167-01!3-(4-hydroxy-3-methoxyphenyl)propyl 3-(4-hydroxyphenyl)propanoate","exact_mass":330.147,"inchikey":"ZXQHQUXJMNGVJP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":348.182922,"smiles":"COC1=CC(CCCOC(=O)CCC2=CC=C(O)C=C2)=CC=C1O","spectrum_id":"CCMSLIB00000845015","spectrum_index":3},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380168-01!3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol","exact_mass":412.152,"inchikey":"CGEQZXRFQKBBQJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.162048,"smiles":"COC1=CC(C)=C(OC2=CC(OC)=CC(C)=C2OC3=CC(C)=CC(O)=C3O)C(O)=C1","spectrum_id":"CCMSLIB00000845016","spectrum_index":4},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380168-01!3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol","exact_mass":412.152,"inchikey":"CGEQZXRFQKBBQJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":430.188904,"smiles":"COC1=CC(C)=C(OC2=CC(OC)=CC(C)=C2OC3=CC(C)=CC(O)=C3O)C(O)=C1","spectrum_id":"CCMSLIB00000845017","spectrum_index":5},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347503-02!8-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)ethyl]-4a,7,8-trimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-2,3-diol","exact_mass":430.257,"inchikey":"RLYPFWBODVDUHT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":448.29245,"smiles":"COC1OC(OC)C(O)(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C34CO4)C1O","spectrum_id":"CCMSLIB00000845018","spectrum_index":6},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347503-02!8-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)ethyl]-4a,7,8-trimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-2,3-diol","exact_mass":430.257,"inchikey":"RLYPFWBODVDUHT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":472.294373,"smiles":"COC1OC(OC)C(O)(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C34CO4)C1O","spectrum_id":"CCMSLIB00000845019","spectrum_index":7},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380568-01!2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol","exact_mass":458.179,"inchikey":"OLRLUJCFUDJRGB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":476.214813,"smiles":"OCC1OC(OCC2OC(OC3=CC=C(CC=C)C=C3)C(O)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000845020","spectrum_index":8},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180665-02!tris[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 2-hydroxypropane-1,2,3-tricarboxylate","exact_mass":996.311,"inchikey":"WYKQPGOKTKQHQG-SHGJSZTHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1014.350342,"smiles":"OC[C@H]1O[C@@H](OC2=CC=C(COC(=O)CC(O)(CC(=O)OCC3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)C(=O)OCC5=CC=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C=C5)C=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000845021","spectrum_index":9},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169946-02!2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one","exact_mass":230.115,"inchikey":"YLHOHANRUSKHKO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":248.14743,"smiles":"CCCC(O)C(O)C1CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00000845022","spectrum_index":10},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385670-01!N-(10-hydroxy-10-methylundecyl)acetamide","exact_mass":243.22,"inchikey":"YASDXQQLKVMDLE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.225571,"smiles":"CC(=O)NCCCCCCCCCC(C)(C)O","spectrum_id":"CCMSLIB00000845023","spectrum_index":11},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385670-01!N-(10-hydroxy-10-methylundecyl)acetamide","exact_mass":243.22,"inchikey":"YASDXQQLKVMDLE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":226.215042,"smiles":"CC(=O)NCCCCCCCCCC(C)(C)O","spectrum_id":"CCMSLIB00000845024","spectrum_index":12},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385670-01!N-(10-hydroxy-10-methylundecyl)acetamide","exact_mass":243.22,"inchikey":"YASDXQQLKVMDLE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":266.20755,"smiles":"CC(=O)NCCCCCCCCCC(C)(C)O","spectrum_id":"CCMSLIB00000845025","spectrum_index":13},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385642-01!1,4-dihydroxyheptadec-16-en-2-yl acetate","exact_mass":328.261,"inchikey":"LUIGTZGBXWZJAX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.266785,"smiles":"CC(=O)OC(CO)CC(O)CCCCCCCCCCCC=C","spectrum_id":"CCMSLIB00000845026","spectrum_index":14},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385642-01!1,4-dihydroxyheptadec-16-en-2-yl acetate","exact_mass":328.261,"inchikey":"LUIGTZGBXWZJAX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.256134,"smiles":"CC(=O)OC(CO)CC(O)CCCCCCCCCCCC=C","spectrum_id":"CCMSLIB00000845027","spectrum_index":15},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385642-01!1,4-dihydroxyheptadec-16-en-2-yl acetate","exact_mass":328.261,"inchikey":"LUIGTZGBXWZJAX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.292816,"smiles":"CC(=O)OC(CO)CC(O)CCCCCCCCCCCC=C","spectrum_id":"CCMSLIB00000845028","spectrum_index":16},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385669-01!(E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid","exact_mass":392.22,"inchikey":"XMWOVKVFIVCVPN-XNTDXEJSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.223999,"smiles":"CC(=O)OC\\C(CCC1C(C=O)=CC(O)C2C(C)(C)CCCC12C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000845029","spectrum_index":17},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385669-01!(E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid","exact_mass":392.22,"inchikey":"XMWOVKVFIVCVPN-XNTDXEJSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.214172,"smiles":"CC(=O)OC\\C(CCC1C(C=O)=CC(O)C2C(C)(C)CCCC12C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000845030","spectrum_index":18},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385669-01!(E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid","exact_mass":392.22,"inchikey":"XMWOVKVFIVCVPN-XNTDXEJSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":410.251038,"smiles":"CC(=O)OC\\C(CCC1C(C=O)=CC(O)C2C(C)(C)CCCC12C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000845031","spectrum_index":19},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385669-01!(E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid","exact_mass":392.22,"inchikey":"XMWOVKVFIVCVPN-XNTDXEJSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.208435,"smiles":"CC(=O)OC\\C(CCC1C(C=O)=CC(O)C2C(C)(C)CCCC12C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000845032","spectrum_index":20},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385656-01!9-(1H-indol-3-ylmethyl)-6,12-dimethyl-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone","exact_mass":484.243,"inchikey":"NYPFHMYOQFDZQG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.247162,"smiles":"CC(C)C1NC(=O)C(C)NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C(C)NC(=O)CNC1=O","spectrum_id":"CCMSLIB00000845033","spectrum_index":21},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385656-01!9-(1H-indol-3-ylmethyl)-6,12-dimethyl-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone","exact_mass":484.243,"inchikey":"NYPFHMYOQFDZQG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":502.273499,"smiles":"CC(C)C1NC(=O)C(C)NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C(C)NC(=O)CNC1=O","spectrum_id":"CCMSLIB00000845034","spectrum_index":22},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385650-01![(2R,3R,4R,5R,6S)-5-hydroxy-3,4,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":788.107,"inchikey":"NRQJFEDEWHTAPZ-UGUGPVJNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":806.135803,"smiles":"O[C@H]1[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@H](COC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@@H]1OC(=O)C5=CC(O)=C(O)C(O)=C5","spectrum_id":"CCMSLIB00000845035","spectrum_index":23},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384874-01!6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one","exact_mass":228.1,"inchikey":"IQQUGRMXXJTLNW-KCJUWKMLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.106918,"smiles":"CCC[C@@H](O)[C@H](O)C1=CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00000845036","spectrum_index":24},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384874-01!6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one","exact_mass":228.1,"inchikey":"IQQUGRMXXJTLNW-KCJUWKMLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":246.133438,"smiles":"CCC[C@@H](O)[C@H](O)C1=CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00000845037","spectrum_index":25},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180216-02!6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione","exact_mass":328.131,"inchikey":"CRULJZWXPCYLAC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.138275,"smiles":"CC1CC(=O)C2=C(CCC3(O)C(O)C4=C(C=CC=C4O)C(=O)C23)C1","spectrum_id":"CCMSLIB00000845038","spectrum_index":26},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384883-01!(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":470.236,"inchikey":"OCLJUQSRRLIINU-CBMLQZBESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.243256,"smiles":"CC(C)CCC(O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000845039","spectrum_index":27},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384883-01!(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":470.236,"inchikey":"OCLJUQSRRLIINU-CBMLQZBESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.2229,"smiles":"CC(C)CCC(O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000845040","spectrum_index":28},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384882-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid","exact_mass":716.138,"inchikey":"KROVXXIIXUFKOO-NGJWAYPNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":717.145447,"smiles":"OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC(O)=C3OC(=C(C(=O)O[C@H](CC4=CC(O)=C(O)C=C4)C(O)=O)C3=C2)C5=CC(O)=C(O)C=C5","spectrum_id":"CCMSLIB00000845041","spectrum_index":29},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384882-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid","exact_mass":716.138,"inchikey":"KROVXXIIXUFKOO-NGJWAYPNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":734.170898,"smiles":"OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC(O)=C3OC(=C(C(=O)O[C@H](CC4=CC(O)=C(O)C=C4)C(O)=O)C3=C2)C5=CC(O)=C(O)C=C5","spectrum_id":"CCMSLIB00000845042","spectrum_index":30},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384881-01!(3S,5R,8R,10R,13R,14S,17R)-3-[5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde","exact_mass":856.409,"inchikey":"SETOMNSAVMFIPE-ZGZVZRAASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":874.440552,"smiles":"COC1CC(O[C@H]2CC[C@@]3(C=O)[C@H](CC[C@@H]4C3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)OC(C)C1O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000845043","spectrum_index":31},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380605-01!7-chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one","exact_mass":258.03,"inchikey":"UPALKCDWIDYZDP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.0354,"smiles":"COC1=C(Cl)C(O)=C2C(=O)OC(C)C(O)C2=C1","spectrum_id":"CCMSLIB00000845044","spectrum_index":32},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169062-03!","exact_mass":306.11,"inchikey":"BVDHPBILFRQGEC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.116272,"smiles":"CC1CCCC2OC2C(=O)C3=C(CC(=O)O1)C=C(O)C=C3O","spectrum_id":"CCMSLIB00000845045","spectrum_index":33},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169062-03!","exact_mass":306.11,"inchikey":"BVDHPBILFRQGEC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":324.142822,"smiles":"CC1CCCC2OC2C(=O)C3=C(CC(=O)O1)C=C(O)C=C3O","spectrum_id":"CCMSLIB00000845046","spectrum_index":34},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380602-01!1,3,8-trihydroxy-6-(2-hydroxypropyl)anthracene-9,10-dione","exact_mass":314.079,"inchikey":"LCYTUQNPPBLNJZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":332.111481,"smiles":"CC(O)CC1=CC2=C(C(O)=C1)C(=O)C3=C(O)C=C(O)C=C3C2=O","spectrum_id":"CCMSLIB00000845047","spectrum_index":35},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179830-03!2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","exact_mass":386.23,"inchikey":"VIHRKOVEWCGJQP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.236053,"smiles":"CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00000845048","spectrum_index":36},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179830-03!2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","exact_mass":386.23,"inchikey":"VIHRKOVEWCGJQP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.262177,"smiles":"CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00000845049","spectrum_index":37},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179830-03!2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","exact_mass":386.23,"inchikey":"VIHRKOVEWCGJQP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.216766,"smiles":"CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00000845050","spectrum_index":38},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180757-02!5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":256.074,"inchikey":"URFCJEUYXNAHFI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":257.081482,"smiles":"OC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(O)=C1","spectrum_id":"CCMSLIB00000845051","spectrum_index":39},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180809-02!4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one","exact_mass":270.089,"inchikey":"IGWDEVSBEKYORK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.097198,"smiles":"CC(C)=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3","spectrum_id":"CCMSLIB00000845052","spectrum_index":40},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180809-02!4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one","exact_mass":270.089,"inchikey":"IGWDEVSBEKYORK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.123962,"smiles":"CC(C)=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3","spectrum_id":"CCMSLIB00000845053","spectrum_index":41},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179981-03!9-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one","exact_mass":304.095,"inchikey":"FOINLJRVEBYARJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.102936,"smiles":"CC(C)(O)C(O)COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00000845054","spectrum_index":42},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179981-03!9-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one","exact_mass":304.095,"inchikey":"FOINLJRVEBYARJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":322.129333,"smiles":"CC(C)(O)C(O)COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00000845055","spectrum_index":43},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169187-02!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":448.101,"inchikey":"JPUKWEQWGBDDQB-DTGCRPNFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.108368,"smiles":"OC[C@H]1O[C@@H](OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845056","spectrum_index":44},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169187-02!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":448.101,"inchikey":"JPUKWEQWGBDDQB-DTGCRPNFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.104126,"smiles":"OC[C@H]1O[C@@H](OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845057","spectrum_index":45},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168861-02!(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","exact_mass":478.075,"inchikey":"DUBCCGAQYVUYEU-ZUGPOPFOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.082855,"smiles":"O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C4=CC(O)=C(O)C=C4)C(O)=O","spectrum_id":"CCMSLIB00000845058","spectrum_index":46},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169142-02![(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":478.148,"inchikey":"UHIGZYLCYRQESL-VJWFJHQPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.155731,"smiles":"OC[C@H]1O[C@@H](OCCC2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1OC(=O)\\C=C\\C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000845059","spectrum_index":47},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180490-02!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":594.158,"inchikey":"RTATXGUCZHCSNG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.16626,"smiles":"CC1OC(OCC2OC(OC3=C(OC4=C(C3=O)C(O)=CC(O)=C4)C5=CC=C(O)C=C5)C(O)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000845060","spectrum_index":48},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385314-01!3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one","exact_mass":802.217,"inchikey":"NVYWCFHFPXGDKS-CWKIFMPXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":803.223206,"smiles":"COC1=C(O)C=CC(=C1)C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]5OC[C@](O)(CO)[C@H]5O)C(=O)C6=C(O)C(OC)=C(O)C=C6O2","spectrum_id":"CCMSLIB00000845061","spectrum_index":49},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385409-01!1,7-dihydroxyxanthen-9-one","exact_mass":228.042,"inchikey":"KDXFPEKLLFWHMN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.049744,"smiles":"OC1=CC2=C(OC3=CC=CC(O)=C3C2=O)C=C1","spectrum_id":"CCMSLIB00000845062","spectrum_index":50},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015697-15!3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one","exact_mass":318.038,"inchikey":"IKMDFBPHZNJCSN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.046082,"smiles":"OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C3=CC(O)=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000845063","spectrum_index":51},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385473-01!2,4-dihydroxy-6-(hydroxymethyl)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde","exact_mass":372.23,"inchikey":"ZVMKPMYSSLDZJO-XURGJTJWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.237305,"smiles":"CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC1=C(O)C=C(CO)C(C=O)=C1O","spectrum_id":"CCMSLIB00000845064","spectrum_index":52},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385473-01!2,4-dihydroxy-6-(hydroxymethyl)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde","exact_mass":372.23,"inchikey":"ZVMKPMYSSLDZJO-XURGJTJWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.227417,"smiles":"CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC1=C(O)C=C(CO)C(C=O)=C1O","spectrum_id":"CCMSLIB00000845065","spectrum_index":53},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385747-01!","exact_mass":442.381,"inchikey":"MHGLNDDJLDJDBG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.390564,"smiles":"CC(CCC(O)C(C)=C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C","spectrum_id":"CCMSLIB00000845066","spectrum_index":54},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385747-01!","exact_mass":442.381,"inchikey":"MHGLNDDJLDJDBG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.378113,"smiles":"CC(CCC(O)C(C)=C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C","spectrum_id":"CCMSLIB00000845067","spectrum_index":55},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179765-02!5,7-dihydroxy-6-methoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one","exact_mass":462.116,"inchikey":"MORLNMAFXVHNAI-IWLDQSELSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.123779,"smiles":"COC1=C(O)C2=C(OC(=CC2=O)C3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)C=C1O","spectrum_id":"CCMSLIB00000845068","spectrum_index":56},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385533-01![2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","exact_mass":962.269,"inchikey":"NHWODQZQPMIYBP-XBXARRHUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":963.272949,"smiles":"COC1=CC(\\C=C\\C(=O)OC2C(OC3OC(CO)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4O)C(O)C(CO)OC2C5=C(O)C=C6OC(=CC(=O)C6=C5O)C7=CC(OC)=C(O)C=C7)=CC=C1O","spectrum_id":"CCMSLIB00000845069","spectrum_index":57},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380830-01!methyl 2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoate","exact_mass":231.147,"inchikey":"DYTVYDVNJBXBMW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":232.155518,"smiles":"COC(=O)C(NC(=O)C(O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000845070","spectrum_index":58},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380830-01!methyl 2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoate","exact_mass":231.147,"inchikey":"DYTVYDVNJBXBMW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":254.137588,"smiles":"COC(=O)C(NC(=O)C(O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000845071","spectrum_index":59},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380825-01!1-[(Z)-but-2-en-2-yl]-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one","exact_mass":326.115,"inchikey":"ZPPIKBUIYSSQEH-UITAMQMPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.124176,"smiles":"C\\C=C(\\C)C1=CC(O)=C(C)C2=C1OC3=CC(O)=CC(C)=C3C(=O)O2","spectrum_id":"CCMSLIB00000845072","spectrum_index":60},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380825-01!1-[(Z)-but-2-en-2-yl]-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one","exact_mass":326.115,"inchikey":"ZPPIKBUIYSSQEH-UITAMQMPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.150269,"smiles":"C\\C=C(\\C)C1=CC(O)=C(C)C2=C1OC3=CC(O)=CC(C)=C3C(=O)O2","spectrum_id":"CCMSLIB00000845073","spectrum_index":61},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380827-01!1-[(Z)-but-2-en-2-yl]-3,9-dihydroxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid","exact_mass":370.105,"inchikey":"DFNFONZYWQXTIJ-YVMONPNESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.114044,"smiles":"C\\C=C(\\C)C1=C(C(O)=O)C(O)=C(C)C2=C1OC3=CC(O)=CC(C)=C3C(=O)O2","spectrum_id":"CCMSLIB00000845074","spectrum_index":62},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380829-01!1-[(Z)-but-2-en-2-yl]-2,8-dichloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one","exact_mass":394.037,"inchikey":"FCMYLROGVKJIDN-ALCCZGGFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.047058,"smiles":"C\\C=C(\\C)C1=C(Cl)C(O)=C(C)C2=C1OC3=CC(O)=C(Cl)C(C)=C3C(=O)O2","spectrum_id":"CCMSLIB00000845075","spectrum_index":63},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380829-01!1-[(Z)-but-2-en-2-yl]-2,8-dichloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one","exact_mass":394.037,"inchikey":"FCMYLROGVKJIDN-ALCCZGGFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":412.072205,"smiles":"C\\C=C(\\C)C1=C(Cl)C(O)=C(C)C2=C1OC3=CC(O)=C(Cl)C(C)=C3C(=O)O2","spectrum_id":"CCMSLIB00000845076","spectrum_index":64},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-phenylpropanoic acid","exact_mass":403.309,"inchikey":"WICAPTTWPBEVPW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.317383,"smiles":"CC(C)CCCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(O)=O","spectrum_id":"CCMSLIB00000845077","spectrum_index":65},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380826-01![1-(3,4-dihydroxy-5-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptan-3-yl] acetate","exact_mass":404.184,"inchikey":"ISMTYWQWKQRTNM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.192139,"smiles":"COC1=C(O)C(O)=CC(CCC(CCCCC2=CC=C(O)C(O)=C2)OC(C)=O)=C1","spectrum_id":"CCMSLIB00000845078","spectrum_index":66},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380826-01![1-(3,4-dihydroxy-5-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptan-3-yl] acetate","exact_mass":404.184,"inchikey":"ISMTYWQWKQRTNM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":422.218536,"smiles":"COC1=C(O)C(O)=CC(CCC(CCCCC2=CC=C(O)C(O)=C2)OC(C)=O)=C1","spectrum_id":"CCMSLIB00000845079","spectrum_index":67},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380824-01!1-[(Z)-but-2-en-2-yl]-2,8,10-trichloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one","exact_mass":427.999,"inchikey":"XEQDVQKKHOQZEP-WAYWQWQTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.006989,"smiles":"C\\C=C(\\C)C1=C(Cl)C(O)=C(C)C2=C1OC3=C(Cl)C(O)=C(Cl)C(C)=C3C(=O)O2","spectrum_id":"CCMSLIB00000845080","spectrum_index":68},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380824-01!1-[(Z)-but-2-en-2-yl]-2,8,10-trichloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one","exact_mass":427.999,"inchikey":"XEQDVQKKHOQZEP-WAYWQWQTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":446.033936,"smiles":"C\\C=C(\\C)C1=C(Cl)C(O)=C(C)C2=C1OC3=C(Cl)C(O)=C(Cl)C(C)=C3C(=O)O2","spectrum_id":"CCMSLIB00000845081","spectrum_index":69},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385702-01!(2S,3R,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","exact_mass":464.314,"inchikey":"UPEZCKBFRMILAV-DBDKQAFGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.323547,"smiles":"C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00000845082","spectrum_index":70},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385702-01!(2S,3R,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","exact_mass":464.314,"inchikey":"UPEZCKBFRMILAV-DBDKQAFGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.311768,"smiles":"C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00000845083","spectrum_index":71},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380696-01!7-hydroxy-3-(hydroxymethyl)-5-methylisochromen-1-one","exact_mass":206.058,"inchikey":"LTGJEIZAUFPWTC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":207.064667,"smiles":"CC1=C2C=C(CO)OC(=O)C2=CC(O)=C1","spectrum_id":"CCMSLIB00000845084","spectrum_index":72},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180484-02!(2E,4E)-1-(2,4-dihydroxy-3,5-dimethylphenyl)hexa-2,4-dien-1-one","exact_mass":232.11,"inchikey":"RKKPUBAAIGFXOG-YTXTXJHMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.116928,"smiles":"C\\C=C\\C=C\\C(=O)C1=C(O)C(C)=C(O)C(C)=C1","spectrum_id":"CCMSLIB00000845085","spectrum_index":73},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179724-02![2-(hydroxymethyl)-3-methoxy-4-methyl-5-(3-methylbut-2-enoxy)phenyl]methanol","exact_mass":266.152,"inchikey":"DUMQPTRUYCCSEZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.148544,"smiles":"COC1=C(CO)C(CO)=CC(OCC=C(C)C)=C1C","spectrum_id":"CCMSLIB00000845087","spectrum_index":74},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380677-01!5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one","exact_mass":370.142,"inchikey":"GWVGVAPNTKLROZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.14859,"smiles":"COC1=C(O)C=CC(=C1)C2CC(=O)C3=C(O)C(CC=C(C)C)=C(O)C=C3O2","spectrum_id":"CCMSLIB00000845089","spectrum_index":75},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380679-01![2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbut-2-enoate","exact_mass":376.152,"inchikey":"JQBVDJFDZQVCGH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.158844,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(OC(=O)C=C(C)C)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00000845091","spectrum_index":76},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380680-01!5-hydroxy-3-[(2S,3R,4R,5S)-3-hydroxy-5-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","exact_mass":726.201,"inchikey":"LKVIDBLGZHMPCV-HLAATANNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":727.207336,"smiles":"C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)=C(OC3=C2)C6=CC=C(O)C=C6)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845096","spectrum_index":77},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179816-02!3-(3-methylbut-2-enyl)purin-6-amine","exact_mass":203.117,"inchikey":"BEPGTHDUUROBHM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":204.123718,"smiles":"CC(C)=CCN1C=NC(N)=C2N=CN=C12","spectrum_id":"CCMSLIB00000845098","spectrum_index":78},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385536-01!(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienamide","exact_mass":241.168,"inchikey":"PHCDULUANYZTRK-RMTFUQJTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":242.174591,"smiles":"CCC(C)(O)C(CO)NC(=O)C(\\C)=C\\C=C\\C","spectrum_id":"CCMSLIB00000845099","spectrum_index":79},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385536-01!(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienamide","exact_mass":241.168,"inchikey":"PHCDULUANYZTRK-RMTFUQJTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":224.164062,"smiles":"CCC(C)(O)C(CO)NC(=O)C(\\C)=C\\C=C\\C","spectrum_id":"CCMSLIB00000845102","spectrum_index":80},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180098-02!3-(2,6-dihydroxyphenyl)-4-hydroxy-6-methyl-3H-2-benzofuran-1-one","exact_mass":272.068,"inchikey":"GYCHRCQMZRMPJA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.075104,"smiles":"CC1=CC(O)=C2C(OC(=O)C2=C1)C3=C(O)C=CC=C3O","spectrum_id":"CCMSLIB00000845104","spectrum_index":81},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180098-02!3-(2,6-dihydroxyphenyl)-4-hydroxy-6-methyl-3H-2-benzofuran-1-one","exact_mass":272.068,"inchikey":"GYCHRCQMZRMPJA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":290.10202,"smiles":"CC1=CC(O)=C2C(OC(=O)C2=C1)C3=C(O)C=CC=C3O","spectrum_id":"CCMSLIB00000845106","spectrum_index":82},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385599-01!1-methyl-2-nonylquinolin-4-one","exact_mass":285.209,"inchikey":"XIGBBPQAXHSVSN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.216248,"smiles":"CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C","spectrum_id":"CCMSLIB00000845108","spectrum_index":83},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381322-01!3',4,5',6,8'-pentahydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-3,4-dihydro-2H-furo[2,3-h]chromene]-3-one","exact_mass":558.116,"inchikey":"PAUVEHXCLNBAPG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.122314,"smiles":"OC1CC2=C(O)C=C3OC(O)(C4=CC=C(O)C=C4)C5(OC6=C(C5=O)C(O)=CC(O)=C6)C3=C2OC1C7=CC=C(O)C=C7","spectrum_id":"CCMSLIB00000845110","spectrum_index":84},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381322-01!3',4,5',6,8'-pentahydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-3,4-dihydro-2H-furo[2,3-h]chromene]-3-one","exact_mass":558.116,"inchikey":"PAUVEHXCLNBAPG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":541.110901,"smiles":"OC1CC2=C(O)C=C3OC(O)(C4=CC=C(O)C=C4)C5(OC6=C(C5=O)C(O)=CC(O)=C6)C3=C2OC1C7=CC=C(O)C=C7","spectrum_id":"CCMSLIB00000845112","spectrum_index":85},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381322-01!3',4,5',6,8'-pentahydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-3,4-dihydro-2H-furo[2,3-h]chromene]-3-one","exact_mass":558.116,"inchikey":"PAUVEHXCLNBAPG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":576.148315,"smiles":"OC1CC2=C(O)C=C3OC(O)(C4=CC=C(O)C=C4)C5(OC6=C(C5=O)C(O)=CC(O)=C6)C3=C2OC1C7=CC=C(O)C=C7","spectrum_id":"CCMSLIB00000845113","spectrum_index":86},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381318-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate","exact_mass":638.351,"inchikey":"XHFZCGJKWBSHAG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":639.356445,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000845116","spectrum_index":87},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381318-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate","exact_mass":638.351,"inchikey":"XHFZCGJKWBSHAG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":656.382812,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000845118","spectrum_index":88},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381318-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate","exact_mass":638.351,"inchikey":"XHFZCGJKWBSHAG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":661.355774,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000845120","spectrum_index":89},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381321-01!3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]spiro[1-benzofuran-2,9'-2,3,4,8-tetrahydrofuro[2,3-h]chromene]-3-one","exact_mass":704.174,"inchikey":"MYIUHDZRMLFLNJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":705.178284,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C3=C(OC4(C(OC5=CC(O)=C6CC(O)C(OC6=C45)C7=CC=C(O)C=C7)C8=CC=C(O)C=C8)C3=O)C=C2O","spectrum_id":"CCMSLIB00000845122","spectrum_index":90},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381321-01!3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]spiro[1-benzofuran-2,9'-2,3,4,8-tetrahydrofuro[2,3-h]chromene]-3-one","exact_mass":704.174,"inchikey":"MYIUHDZRMLFLNJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":722.203308,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C3=C(OC4(C(OC5=CC(O)=C6CC(O)C(OC6=C45)C7=CC=C(O)C=C7)C8=CC=C(O)C=C8)C3=O)C=C2O","spectrum_id":"CCMSLIB00000845124","spectrum_index":91},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347564-02!(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione","exact_mass":323.163,"inchikey":"MYRPIYZIAHOECW-SAIXKJTDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":324.1698,"smiles":"C[C@@H]1NC(=O)\\C(NC1=O)=C\\C2=C(NC3=CC=CC=C23)C(C)(C)C=C","spectrum_id":"CCMSLIB00000845126","spectrum_index":92},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347776-02!3-chloro-6-hydroxy-2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid","exact_mass":382.046,"inchikey":"BIIZWIKNPOIDLS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.051178,"smiles":"COC(=O)C1=CC(O)=CC(OC)=C1OC2=C(Cl)C(C)=CC(O)=C2C(O)=O","spectrum_id":"CCMSLIB00000845128","spectrum_index":93},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347776-02!3-chloro-6-hydroxy-2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid","exact_mass":382.046,"inchikey":"BIIZWIKNPOIDLS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.077484,"smiles":"COC(=O)C1=CC(O)=CC(OC)=C1OC2=C(Cl)C(C)=CC(O)=C2C(O)=O","spectrum_id":"CCMSLIB00000845130","spectrum_index":94},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384924-01!5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chromen-4-one","exact_mass":406.178,"inchikey":"FXJPTJQFJYNFKC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.183807,"smiles":"CC(C)=CCC1=C(O)C=CC(=C1)C2=COC3=C(CC=C(C)C)C(O)=CC(O)=C3C2=O","spectrum_id":"CCMSLIB00000845132","spectrum_index":95},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180155-02!3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one","exact_mass":420.142,"inchikey":"BIZAJDCIOZNYLQ-XDWAVFMPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.148163,"smiles":"OC[C@H]1O[C@@H](OC2=CC(O)=C(C=C2)C(=O)CCC3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845134","spectrum_index":96},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180155-02!3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one","exact_mass":420.142,"inchikey":"BIZAJDCIOZNYLQ-XDWAVFMPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":438.172913,"smiles":"OC[C@H]1O[C@@H](OC2=CC(O)=C(C=C2)C(=O)CCC3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845136","spectrum_index":97},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169402-02!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","exact_mass":448.101,"inchikey":"ODBRNZZJSYPIDI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.106201,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C3=C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)C=C2O","spectrum_id":"CCMSLIB00000845138","spectrum_index":98},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169402-02!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","exact_mass":448.101,"inchikey":"ODBRNZZJSYPIDI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.103729,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C3=C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)C=C2O","spectrum_id":"CCMSLIB00000845140","spectrum_index":99},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384929-01!(2S,3S)-3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one","exact_mass":466.111,"inchikey":"CZOXIGOPZRIBJM-TZWBTVLISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":484.143768,"smiles":"OC[C@H]1O[C@@H](OC2=C(O)C=CC(=C2)[C@@H]3OC4=CC(O)=CC(O)=C4C(=O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000845144","spectrum_index":100},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180345-02![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":484.085,"inchikey":"LYGRISUQIZNHGM-IVABAYMNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":502.118225,"smiles":"O[C@H]1[C@H](O)[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H]1O","spectrum_id":"CCMSLIB00000845145","spectrum_index":101},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384957-01!8-[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one","exact_mass":564.148,"inchikey":"RUULGHDZDIUGRT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.152344,"smiles":"OCC1OC(C(O)C(OC2OCC(O)C(O)C2O)C1O)C3=C4OC=C(C(=O)C4=C(O)C=C3O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000845148","spectrum_index":102},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347527-02!7-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one","exact_mass":352.095,"inchikey":"YKYNYMQDXOWMDT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.102875,"smiles":"CC1(C)OC2=CC3=C(C(=O)C(=CO3)C4=CC=C(O)C=C4O)C(O)=C2C=C1","spectrum_id":"CCMSLIB00000845149","spectrum_index":103},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384737-01!1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one","exact_mass":356.162,"inchikey":"VOKBRPPPSPIUIB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.170532,"smiles":"COC1=CC(CC=C)=CC(C(C)C(=O)C2=CC(OC)=C(OC)C=C2)=C1O","spectrum_id":"CCMSLIB00000845152","spectrum_index":104},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384744-01!5-hydroxy-3-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-methoxychromen-4-one","exact_mass":462.116,"inchikey":"GODZRCRSZUIPBM-RECXWPGBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.123962,"smiles":"COC1=CC(O)=C2C(=O)C(=COC2=C1)C3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3","spectrum_id":"CCMSLIB00000845154","spectrum_index":105},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384744-01!5-hydroxy-3-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-methoxychromen-4-one","exact_mass":462.116,"inchikey":"GODZRCRSZUIPBM-RECXWPGBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.105743,"smiles":"COC1=CC(O)=C2C(=O)C(=COC2=C1)C3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3","spectrum_id":"CCMSLIB00000845156","spectrum_index":106},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384791-01!7-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one","exact_mass":594.158,"inchikey":"SHPPXMGVUDNKLV-BSYKUCBOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.168762,"smiles":"C[C@@H]1O[C@@H](OC2C(O)C(O)C(CO)OC2OC3=CC(O)=C4C(=O)C=C(OC4=C3)C5=CC(O)=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845158","spectrum_index":107},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347374-02![(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate","exact_mass":754.232,"inchikey":"FHIJMQWMMZEFBL-OPSYHMPNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":772.269409,"smiles":"COC1=CC(\\C=C\\C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3OC(=O)\\C=C\\C4=CC(OC)=C(O)C(OC)=C4)[C@H](O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O","spectrum_id":"CCMSLIB00000845162","spectrum_index":108},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00176311-03!6,7-dimethoxychromen-2-one","exact_mass":206.058,"inchikey":"GUAFOGOEJLSQBT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":207.065674,"smiles":"COC1=C(OC)C=C2C=CC(=O)OC2=C1","spectrum_id":"CCMSLIB00000845164","spectrum_index":109},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015208-22!1,3,7-trimethylpurine-2,6-dione","exact_mass":194.08,"inchikey":"RYYVLZVUVIJVGH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":195.09108,"smiles":"CN1C=NC2=C1C(=O)N(C)C(=O)N2C","spectrum_id":"CCMSLIB00000845166","spectrum_index":110},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385026-01!methyl (E)-3-(2,2-dimethylchromen-6-yl)prop-2-enoate","exact_mass":244.11,"inchikey":"AOZKTJDXDYSFAE-FNORWQNLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.12149,"smiles":"COC(=O)\\C=C\\C1=CC2=C(OC(C)(C)C=C2)C=C1","spectrum_id":"CCMSLIB00000845168","spectrum_index":111},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385044-01![(E)-3-acetyloxy-6,7-dihydroxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-4-en-2-yl] acetate","exact_mass":342.131,"inchikey":"RAZHULSADOGMPF-BQYQJAHWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.144836,"smiles":"CC(OC(C)=O)C(OC(C)=O)\\C=C\\C(O)C(O)C1CC=CC(=O)O1","spectrum_id":"CCMSLIB00000845169","spectrum_index":112},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385044-01![(E)-3-acetyloxy-6,7-dihydroxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-4-en-2-yl] acetate","exact_mass":342.131,"inchikey":"RAZHULSADOGMPF-BQYQJAHWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":360.171112,"smiles":"CC(OC(C)=O)C(OC(C)=O)\\C=C\\C(O)C(O)C1CC=CC(=O)O1","spectrum_id":"CCMSLIB00000845172","spectrum_index":113},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168814-02!(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol","exact_mass":346.126,"inchikey":"NBLLRWANAFOKON-ZHZXCYKASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.139526,"smiles":"COC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000845174","spectrum_index":114},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384982-01!3,9,10-trihydroxy-4-(methoxymethyl)-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid","exact_mass":376.079,"inchikey":"FXGOBECSEIQDAS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.093079,"smiles":"COCC1=C(O)C(C(O)=O)=C(C)C2=C1OC(=O)C3=C(C)C=C(O)C(O)=C3O2","spectrum_id":"CCMSLIB00000845175","spectrum_index":115},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384982-01!3,9,10-trihydroxy-4-(methoxymethyl)-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid","exact_mass":376.079,"inchikey":"FXGOBECSEIQDAS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.119446,"smiles":"COCC1=C(O)C(C(O)=O)=C(C)C2=C1OC(=O)C3=C(C)C=C(O)C(O)=C3O2","spectrum_id":"CCMSLIB00000845178","spectrum_index":116},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385001-01!5-[3-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxypentyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid","exact_mass":500.277,"inchikey":"UVGRPMWFXIDHJC-CSKARUKUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":501.292053,"smiles":"CC1CCC2(C)C(CCC=C2C(O)=O)C1(C)CCC(CCO)COC(=O)\\C=C\\C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000845180","spectrum_index":117},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385001-01!5-[3-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxypentyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid","exact_mass":500.277,"inchikey":"UVGRPMWFXIDHJC-CSKARUKUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":483.283142,"smiles":"CC1CCC2(C)C(CCC=C2C(O)=O)C1(C)CCC(CCO)COC(=O)\\C=C\\C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000845181","spectrum_index":118},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385008-01!3-[4-[5-(acetyloxymethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-(2,5-dihydroxy-6-methylhept-6-en-2-yl)-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid","exact_mass":664.419,"inchikey":"GVVZGEKYZVYQLY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":665.43573,"smiles":"CC(=O)OCC1OC(OC2CC3C(C)(CCC(O)=O)C(CCC3(C)C4(C)CCC(C24)C(C)(O)CCC(O)C(C)=C)C(C)=C)C(O)C1O","spectrum_id":"CCMSLIB00000845183","spectrum_index":119},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385008-01!3-[4-[5-(acetyloxymethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-(2,5-dihydroxy-6-methylhept-6-en-2-yl)-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid","exact_mass":664.419,"inchikey":"GVVZGEKYZVYQLY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":682.46283,"smiles":"CC(=O)OCC1OC(OC2CC3C(C)(CCC(O)=O)C(CCC3(C)C4(C)CCC(C24)C(C)(O)CCC(O)C(C)=C)C(C)=C)C(O)C1O","spectrum_id":"CCMSLIB00000845186","spectrum_index":120},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385008-01!3-[4-[5-(acetyloxymethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-(2,5-dihydroxy-6-methylhept-6-en-2-yl)-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid","exact_mass":664.419,"inchikey":"GVVZGEKYZVYQLY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":687.417358,"smiles":"CC(=O)OCC1OC(OC2CC3C(C)(CCC(O)=O)C(CCC3(C)C4(C)CCC(C24)C(C)(O)CCC(O)C(C)=C)C(C)=C)C(O)C1O","spectrum_id":"CCMSLIB00000845188","spectrum_index":121},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384983-01!3-[(2S,4S,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":756.211,"inchikey":"MFIXKYXSBNIMPX-PMLYRHIJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.228943,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C=C5)C(O)[C@@H](O)C2O)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]1O","spectrum_id":"CCMSLIB00000845189","spectrum_index":122},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384983-01!3-[(2S,4S,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":756.211,"inchikey":"MFIXKYXSBNIMPX-PMLYRHIJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":779.2099,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C=C5)C(O)[C@@H](O)C2O)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]1O","spectrum_id":"CCMSLIB00000845192","spectrum_index":123},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380163-01!2-methylidene-3-(6-oxalooxyhexyl)butanedioic acid","exact_mass":302.1,"inchikey":"CLFOWTUGPBWLGH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.109619,"smiles":"OC(=O)C(CCCCCCOC(=O)C(O)=O)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000845194","spectrum_index":124},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380163-01!2-methylidene-3-(6-oxalooxyhexyl)butanedioic acid","exact_mass":302.1,"inchikey":"CLFOWTUGPBWLGH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.136658,"smiles":"OC(=O)C(CCCCCCOC(=O)C(O)=O)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000845196","spectrum_index":125},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347359-02!2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 3-methylbut-2-enoate","exact_mass":328.131,"inchikey":"PQCLZBCFLJVBGA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.140381,"smiles":"CC(C)=CC(=O)OC(C)(C)C1CC2=CC3=C(OC(=O)C=C3)C=C2O1","spectrum_id":"CCMSLIB00000845197","spectrum_index":126},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169292-02![1-acetyloxy-4-(3-hydroxy-3-methylpent-4-enyl)-3,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl] acetate","exact_mass":406.272,"inchikey":"JSGVRMXIAILPPO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":424.308167,"smiles":"CC1C(OC(C)=O)C(OC(C)=O)C2=C(CCCC2(C)C)C1(C)CCC(C)(O)C=C","spectrum_id":"CCMSLIB00000845199","spectrum_index":127},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347775-02!(Z)-5-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid","exact_mass":336.23,"inchikey":"LRLROPFPFABQRF-CBYQQGIISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.229858,"smiles":"C[C@@H]1CC[C@]2(C)[C@H](CCC=C2CO)[C@@]1(C)CC\\C(CO)=C\\C(O)=O","spectrum_id":"CCMSLIB00000845201","spectrum_index":128},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347775-02!(Z)-5-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid","exact_mass":336.23,"inchikey":"LRLROPFPFABQRF-CBYQQGIISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":354.266907,"smiles":"C[C@@H]1CC[C@]2(C)[C@H](CCC=C2CO)[C@@]1(C)CC\\C(CO)=C\\C(O)=O","spectrum_id":"CCMSLIB00000845203","spectrum_index":129},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00073008-06!2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline","exact_mass":355.178,"inchikey":"AEQDJSLRWYMAQI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":356.189178,"smiles":"COC1=CC=C2CC3N(CCC4=CC(OC)=C(OC)C=C34)CC2=C1OC","spectrum_id":"CCMSLIB00000845205","spectrum_index":130},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180327-02![(E)-3-acetyloxy-7-hydroxy-6-methoxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-4-en-2-yl] acetate","exact_mass":356.147,"inchikey":"STNNWPKHRBGYMO-CMDGGOBGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.158051,"smiles":"COC(\\C=C\\C(OC(C)=O)C(C)OC(C)=O)C(O)C1CC=CC(=O)O1","spectrum_id":"CCMSLIB00000845207","spectrum_index":131},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180327-02![(E)-3-acetyloxy-7-hydroxy-6-methoxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-4-en-2-yl] acetate","exact_mass":356.147,"inchikey":"STNNWPKHRBGYMO-CMDGGOBGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.184509,"smiles":"COC(\\C=C\\C(OC(C)=O)C(C)OC(C)=O)C(O)C1CC=CC(=O)O1","spectrum_id":"CCMSLIB00000845209","spectrum_index":132},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180659-03![1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate","exact_mass":414.168,"inchikey":"NUYFKDBCHFKOBT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.205811,"smiles":"COC1=C2C(OC3=C(COC2=O)C=C(C)C=C3O)=CC=C1C(CC(C)C)OC(C)=O","spectrum_id":"CCMSLIB00000845212","spectrum_index":133},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384662-01!(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one","exact_mass":450.116,"inchikey":"SPSWAOUJDYQZHR-OIKOUPSRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.127533,"smiles":"OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C=C3O[C@@H]([C@@H](O)C(=O)C3=C2O)C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000845214","spectrum_index":134},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347516-02!methyl 4-(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxocyclohexen-1-yl)oxy-2-hydroxy-3,6-dimethylbenzoate","exact_mass":380.147,"inchikey":"BXZJZDQDHHZIIB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.153473,"smiles":"COC(=O)C1=C(C)C=C(OC2=C(C)C(=O)C(O)C(C)(OC)C2O)C(C)=C1O","spectrum_id":"CCMSLIB00000845216","spectrum_index":135},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347516-02!methyl 4-(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxocyclohexen-1-yl)oxy-2-hydroxy-3,6-dimethylbenzoate","exact_mass":380.147,"inchikey":"BXZJZDQDHHZIIB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":398.17926,"smiles":"COC(=O)C1=C(C)C=C(OC2=C(C)C(=O)C(O)C(C)(OC)C2O)C(C)=C1O","spectrum_id":"CCMSLIB00000845218","spectrum_index":136},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380471-01!5-hydroxy-6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":400.101,"inchikey":"KDWWYRPEBULRGU-KIZWGXMFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.107025,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(OC)=C3OC(=O)C=CC3=C1O","spectrum_id":"CCMSLIB00000845219","spectrum_index":137},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380585-01!(E)-3-[1-[(E)-but-2-en-2-yl]-9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid","exact_mass":440.147,"inchikey":"NTOXIMPFEPXTTB-GNXRPPCSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.153137,"smiles":"COC1=C(C)C2=C(OC3=C(CO)C(O)=CC(\\C(C)=C\\C(O)=O)=C3C(=O)O2)C(=C1)C(\\C)=C\\C","spectrum_id":"CCMSLIB00000845221","spectrum_index":138},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380585-01!(E)-3-[1-[(E)-but-2-en-2-yl]-9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid","exact_mass":440.147,"inchikey":"NTOXIMPFEPXTTB-GNXRPPCSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.142883,"smiles":"COC1=C(C)C2=C(OC3=C(CO)C(O)=CC(\\C(C)=C\\C(O)=O)=C3C(=O)O2)C(=C1)C(\\C)=C\\C","spectrum_id":"CCMSLIB00000845223","spectrum_index":139},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380585-01!(E)-3-[1-[(E)-but-2-en-2-yl]-9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid","exact_mass":440.147,"inchikey":"NTOXIMPFEPXTTB-GNXRPPCSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":458.179932,"smiles":"COC1=C(C)C2=C(OC3=C(CO)C(O)=CC(\\C(C)=C\\C(O)=O)=C3C(=O)O2)C(=C1)C(\\C)=C\\C","spectrum_id":"CCMSLIB00000845225","spectrum_index":140},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380585-01!(E)-3-[1-[(E)-but-2-en-2-yl]-9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid","exact_mass":440.147,"inchikey":"NTOXIMPFEPXTTB-GNXRPPCSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.120117,"smiles":"COC1=C(C)C2=C(OC3=C(CO)C(O)=CC(\\C(C)=C\\C(O)=O)=C3C(=O)O2)C(=C1)C(\\C)=C\\C","spectrum_id":"CCMSLIB00000845227","spectrum_index":141},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347626-02![6-acetyloxy-7-(chloromethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate","exact_mass":460.186,"inchikey":"QERAXRDNYJPTRN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":478.218384,"smiles":"CC(C)CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1CC(OC(C)=O)C2(O)CCl","spectrum_id":"CCMSLIB00000845229","spectrum_index":142},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169100-02!2-[2,6-bis(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-hydroxyacetic acid","exact_mass":466.22,"inchikey":"NKNHYXCDCIOHRT-CWAIYLBLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":484.253235,"smiles":"CC(C)=CCC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(CC=C(C)C)=C1C(O)C(O)=O","spectrum_id":"CCMSLIB00000845231","spectrum_index":143},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347732-02!methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate","exact_mass":522.225,"inchikey":"LARSXHUKWMVHRB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.230591,"smiles":"COC(=O)C2(CC1=CC=C(O)C(CC=C(C)C)=C1)OC(=O)C(OC)=C2C3=CC(O)=C(O)C(CC=C(C)C)=C3","spectrum_id":"CCMSLIB00000845233","spectrum_index":144},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347732-02!methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate","exact_mass":522.225,"inchikey":"LARSXHUKWMVHRB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.257324,"smiles":"COC(=O)C2(CC1=CC=C(O)C(CC=C(C)C)=C1)OC(=O)C(OC)=C2C3=CC(O)=C(O)C(CC=C(C)C)=C3","spectrum_id":"CCMSLIB00000845235","spectrum_index":145},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380459-01!6-hydroxy-3-[3-hydroxy-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-5,7-dimethoxychromen-4-one","exact_mass":654.18,"inchikey":"KHCREUNEQGORAM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":655.184204,"smiles":"COC1=C(O)C(OC)=C2C(=O)C(=COC2=C1)C3=CC=C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)=C3","spectrum_id":"CCMSLIB00000845237","spectrum_index":146},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179770-02!","exact_mass":346.178,"inchikey":"LCAZOMIGFDQMNC-KRJOACHSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.211578,"smiles":"CC(C)C1=C(O)C(O)=C2C(=C1)C(O)[C@H]3OC(=O)[C@@]24CCCC(C)(C)C34","spectrum_id":"CCMSLIB00000845239","spectrum_index":147},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169656-02!2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one","exact_mass":422.173,"inchikey":"UWQYBLOHTQWSQD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.177673,"smiles":"CC(C)=CCC1=C(OC2=C(C1=O)C(O)=CC(O)=C2CC=C(C)C)C3=C(O)C=C(O)C=C3","spectrum_id":"CCMSLIB00000845241","spectrum_index":148},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179772-02!7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one","exact_mass":546.174,"inchikey":"RIXHOIPNPVCEHZ-WIYOTWCASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":547.176941,"smiles":"C[C@@H]1O[C@@H](OC2=CC=C(C=C2)C3=COC4=C(C=CC(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)=C4)C3=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845243","spectrum_index":149},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385380-01!3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","exact_mass":626.148,"inchikey":"UTECWQIXBMWRRR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":627.149841,"smiles":"OCC1OC(OC2C(CO)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC(O)=C(O)C=C5)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000845245","spectrum_index":150},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385380-01!3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","exact_mass":626.148,"inchikey":"UTECWQIXBMWRRR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":649.131714,"smiles":"OCC1OC(OC2C(CO)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC(O)=C(O)C=C5)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000845247","spectrum_index":151},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381212-01![6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":756.19,"inchikey":"HLWFQXZBFQLASS-RUDMXATFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.190308,"smiles":"CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC(O)=C(O)C=C5)C(O)C(O)C2OC(=O)\\C=C\\C6=CC=C(O)C=C6)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000845253","spectrum_index":152},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381213-01![(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[(2S,3S,4S,5R)-3-hydroxy-2,5-bis(hydroxymethyl)-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":780.227,"inchikey":"SMVZSPTUXANNGQ-OHRRTPEXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":798.253967,"smiles":"OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(=O)\\C=C\\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2OC(=O)\\C=C\\C4=CC=C(O)C=C4)[C@@H](O)[C@@H]1OC(=O)\\C=C\\C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000845255","spectrum_index":153},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169412-03!3,9-dihydroxy-1,4,7,10-tetramethylbenzo[b][1,4]benzodioxepin-6-one","exact_mass":300.1,"inchikey":"JURQVQJHQONKKH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.107941,"smiles":"CC1=CC(O)=C(C)C2=C1C(=O)OC3=C(C)C(O)=CC(C)=C3O2","spectrum_id":"CCMSLIB00000845257","spectrum_index":154},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169412-03!3,9-dihydroxy-1,4,7,10-tetramethylbenzo[b][1,4]benzodioxepin-6-one","exact_mass":300.1,"inchikey":"JURQVQJHQONKKH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.134766,"smiles":"CC1=CC(O)=C(C)C2=C1C(=O)OC3=C(C)C(O)=CC(C)=C3O2","spectrum_id":"CCMSLIB00000845259","spectrum_index":155},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169692-02!1,7,8-trihydroxy-3-methyl-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one","exact_mass":310.121,"inchikey":"FDVOVSCQDWKKHH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.128418,"smiles":"CC1CC(O)C2=C3C(=O)C4=C(C(O)C3=CC=C2C1)C(O)=CC=C4","spectrum_id":"CCMSLIB00000845261","spectrum_index":156},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347525-02!2-amino-5-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]-4-hydroxyanilino]-5-oxopentanoic acid","exact_mass":414.164,"inchikey":"JMRJLJOBHHWYIV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.171936,"smiles":"CC(O)C(O)(C(C)O)C(=O)OCC1=CC(O)=CC=C1NC(=O)CCC(N)C(O)=O","spectrum_id":"CCMSLIB00000845263","spectrum_index":157},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347525-02!2-amino-5-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]-4-hydroxyanilino]-5-oxopentanoic acid","exact_mass":414.164,"inchikey":"JMRJLJOBHHWYIV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.160858,"smiles":"CC(O)C(O)(C(C)O)C(=O)OCC1=CC(O)=CC=C1NC(=O)CCC(N)C(O)=O","spectrum_id":"CCMSLIB00000845265","spectrum_index":158},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380401-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one","exact_mass":418.199,"inchikey":"GPXPJKFETRLRAS-AHUKKWBBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.208038,"smiles":"CC[C@H]1O[C@@H]2O[C@H](\\C=C\\C=C\\C=C\\C3=C(C)C(OC)=CC(=O)O3)[C@H](O)[C@]2(C)[C@@]1(C)O","spectrum_id":"CCMSLIB00000845271","spectrum_index":159},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380401-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one","exact_mass":418.199,"inchikey":"GPXPJKFETRLRAS-AHUKKWBBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":436.235046,"smiles":"CC[C@H]1O[C@@H]2O[C@H](\\C=C\\C=C\\C=C\\C3=C(C)C(OC)=CC(=O)O3)[C@H](O)[C@]2(C)[C@@]1(C)O","spectrum_id":"CCMSLIB00000845273","spectrum_index":160},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380406-01!3-[(2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-5-yl)sulfanyl]-2-acetamidopropanoic acid","exact_mass":533.099,"inchikey":"WLQREUAHQSBKHB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":534.108398,"smiles":"CC(=O)NC(CSC1=CC2=C(C(=O)C3=CC=CC(O)=C3C2=O)C4(O)C(=O)C(O)C(C)(O)CC14O)C(O)=O","spectrum_id":"CCMSLIB00000845275","spectrum_index":161},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380406-01!3-[(2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-5-yl)sulfanyl]-2-acetamidopropanoic acid","exact_mass":533.099,"inchikey":"WLQREUAHQSBKHB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.135376,"smiles":"CC(=O)NC(CSC1=CC2=C(C(=O)C3=CC=CC(O)=C3C2=O)C4(O)C(=O)C(O)C(C)(O)CC14O)C(O)=O","spectrum_id":"CCMSLIB00000845277","spectrum_index":162},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380491-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one","exact_mass":592.179,"inchikey":"MZJUGRMCXKZMOG-QMVDJANMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.188904,"smiles":"COC1=CC=C(C=C1)C2=COC3=CC(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)=C(OC)C=C3C2=O","spectrum_id":"CCMSLIB00000845280","spectrum_index":163},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380494-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","exact_mass":916.285,"inchikey":"TXZUPPVCNIMVHW-AJMZACEDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":917.299805,"smiles":"COC1=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C=C3OC(C4=CC=C(O)C=C4)=C(O[C@@H]5O[C@H](CO[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)C(=O)C3=C1O","spectrum_id":"CCMSLIB00000845281","spectrum_index":164},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180483-02!7-hydroxy-3-(2-hydroxypropyl)-5-methylisochromen-1-one","exact_mass":234.089,"inchikey":"QTIXOFRUBMRMTF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.096329,"smiles":"CC(O)CC1=CC2=C(C=C(O)C=C2C)C(=O)O1","spectrum_id":"CCMSLIB00000845283","spectrum_index":165},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169378-02!(E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide","exact_mass":297.136,"inchikey":"QRFDENJATPJOKG-KPKJPENVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.143768,"smiles":"COC1=CC=C(C=C1)C(O)CNC(=O)\\C=C\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00000845285","spectrum_index":166},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169378-02!(E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide","exact_mass":297.136,"inchikey":"QRFDENJATPJOKG-KPKJPENVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":280.132874,"smiles":"COC1=CC=C(C=C1)C(O)CNC(=O)\\C=C\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00000845287","spectrum_index":167},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385255-01!4-[4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol","exact_mass":328.167,"inchikey":"QDDILOVMGWUNGD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.174927,"smiles":"COC1=C(O)C=CC(CC(C)C(C)CC2=CC3=C(OCO3)C=C2)=C1","spectrum_id":"CCMSLIB00000845289","spectrum_index":168},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385255-01!4-[4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol","exact_mass":328.167,"inchikey":"QDDILOVMGWUNGD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.201263,"smiles":"COC1=C(O)C=CC(CC(C)C(C)CC2=CC3=C(OCO3)C=C2)=C1","spectrum_id":"CCMSLIB00000845291","spectrum_index":169},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385216-01!8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":392.199,"inchikey":"SPOAVFOKSZPUQS-SFQUDFHCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.205658,"smiles":"CC(C)=CCC\\C(C)=C\\CC1=C2OC(CC(=O)C2=C(O)C=C1O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000845293","spectrum_index":170},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00270979-02![6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate","exact_mass":442.236,"inchikey":"RIPKCRCUFJSKKD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.242371,"smiles":"CC(=O)OC1CCC2(C)C(COC3=CC=C4C=CC(=O)OC4=C3)C(C)(O)CCC2C1(C)C","spectrum_id":"CCMSLIB00000845295","spectrum_index":171},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00270979-02![6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate","exact_mass":442.236,"inchikey":"RIPKCRCUFJSKKD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.231934,"smiles":"CC(=O)OC1CCC2(C)C(COC3=CC=C4C=CC(=O)OC4=C3)C(C)(O)CCC2C1(C)C","spectrum_id":"CCMSLIB00000845297","spectrum_index":172},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168902-03!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":464.095,"inchikey":"OVSQVDMCBVZWGM-DTGCRPNFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.102051,"smiles":"OC[C@H]1O[C@@H](OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3)C4=CC(O)=C(O)C=C4)[C@H](O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845303","spectrum_index":173},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385218-01!7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":492.127,"inchikey":"FLSOTPIEFVBPBU-LDBVRRDLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.133423,"smiles":"COC1=CC(=CC(OC)=C1O)C2=CC(=O)C3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3O2","spectrum_id":"CCMSLIB00000845305","spectrum_index":174},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385232-01!(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid","exact_mass":528.09,"inchikey":"VOTMSYBBJIFRQZ-SGMWDQPPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":546.121887,"smiles":"OC(=O)[C@H]1OC(=C[C@@H](OC(=O)\\C=C\\C2=CC=C(O)C(O)=C2)[C@H]1OC(=O)\\C=C\\C3=CC=C(O)C(O)=C3)C(O)=O","spectrum_id":"CCMSLIB00000845307","spectrum_index":175},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381364-01!3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","exact_mass":196.121,"inchikey":"XLUAWXQORJEMBD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":197.127487,"smiles":"CC(C)C1NC(=O)C2CCCN2C1=O","spectrum_id":"CCMSLIB00000845309","spectrum_index":176},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381044-02!3,6-diphenylcyclohexane-1,2-diol","exact_mass":268.146,"inchikey":"KIDYUEHQXIEBGK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.17984,"smiles":"OC1C(O)C(CCC1C2=CC=CC=C2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000845311","spectrum_index":177},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381363-01!methyl 2-(9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate","exact_mass":316.095,"inchikey":"FMEUWIKCSICJBO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.10141,"smiles":"COC(=O)CC1CC2=C(C(C)O1)C(=O)C3=C(O)C=CC=C3C2=O","spectrum_id":"CCMSLIB00000845315","spectrum_index":178},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381363-01!methyl 2-(9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate","exact_mass":316.095,"inchikey":"FMEUWIKCSICJBO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":334.127899,"smiles":"COC(=O)CC1CC2=C(C(C)O1)C(=O)C3=C(O)C=CC=C3C2=O","spectrum_id":"CCMSLIB00000845317","spectrum_index":179},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381363-01!methyl 2-(9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate","exact_mass":316.095,"inchikey":"FMEUWIKCSICJBO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.08609,"smiles":"COC(=O)CC1CC2=C(C(C)O1)C(=O)C3=C(O)C=CC=C3C2=O","spectrum_id":"CCMSLIB00000845319","spectrum_index":180},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381365-01!","exact_mass":318.074,"inchikey":"SVGOJJZXRJJDLY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":336.108002,"smiles":"CC1OC(CC(O)=O)CC23OC12C(=O)C4=C(O)C=CC=C4C3=O","spectrum_id":"CCMSLIB00000845321","spectrum_index":181},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381365-01!","exact_mass":318.074,"inchikey":"SVGOJJZXRJJDLY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.064972,"smiles":"CC1OC(CC(O)=O)CC23OC12C(=O)C4=C(O)C=CC=C4C3=O","spectrum_id":"CCMSLIB00000845323","spectrum_index":182},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169653-02!7-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":564.148,"inchikey":"NTDLXWMIWOECHG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.152893,"smiles":"OCC1OC(OC2=CC3=C(C(=O)C=C(O3)C4=CC=C(O)C=C4)C(O)=C2)C(OC5OCC(O)(CO)C5O)C(O)C1O","spectrum_id":"CCMSLIB00000845327","spectrum_index":183},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385506-01!5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":626.148,"inchikey":"RPVIQWDFJPYNJM-DEFKTLOSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":627.152466,"smiles":"OC[C@H]1O[C@@H](OC2=C(O)C=C(C=C2)C3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=O)C5=C(O)C=C(O)C=C5O3)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000845329","spectrum_index":184},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385506-01!5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":626.148,"inchikey":"RPVIQWDFJPYNJM-DEFKTLOSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":649.136902,"smiles":"OC[C@H]1O[C@@H](OC2=C(O)C=C(C=C2)C3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=O)C5=C(O)C=C(O)C=C5O3)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000845331","spectrum_index":185},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180577-02!6-[[(3S,6aR,6bS,8aR,9R,12aS,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid","exact_mass":926.524,"inchikey":"ISTWCKNDZOSMPU-CIORFEAFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":944.552917,"smiles":"CC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(O)C(OC3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@@]67C)C4(C)C)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000845333","spectrum_index":186},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016425-09!6,7-dihydroxychromen-2-one","exact_mass":178.027,"inchikey":"ILEDWLMCKZNDJK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":179.034424,"smiles":"OC1=C(O)C=C2C=CC(=O)OC2=C1","spectrum_id":"CCMSLIB00000845335","spectrum_index":187},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095563-03!(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid","exact_mass":238.084,"inchikey":"YTFVRYKNXDADBI-SNAWJCMRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.092407,"smiles":"COC1=CC(=CC(OC)=C1OC)\\C=C\\C(O)=O","spectrum_id":"CCMSLIB00000845337","spectrum_index":188},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095563-03!(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid","exact_mass":238.084,"inchikey":"YTFVRYKNXDADBI-SNAWJCMRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":256.119232,"smiles":"COC1=CC(=CC(OC)=C1OC)\\C=C\\C(O)=O","spectrum_id":"CCMSLIB00000845339","spectrum_index":189},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385867-01!8-(2-hydroxypropan-2-yl)furo[2,3-h]chromen-2-one","exact_mass":244.074,"inchikey":"KDJVHSVOXOZBDR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.081863,"smiles":"CC(C)(O)C1=CC2=C3OC(=O)C=CC3=CC=C2O1","spectrum_id":"CCMSLIB00000845341","spectrum_index":190},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385867-01!8-(2-hydroxypropan-2-yl)furo[2,3-h]chromen-2-one","exact_mass":244.074,"inchikey":"KDJVHSVOXOZBDR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":227.071075,"smiles":"CC(C)(O)C1=CC2=C3OC(=O)C=CC3=CC=C2O1","spectrum_id":"CCMSLIB00000845343","spectrum_index":191},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169735-02!(5S)-5-hydroxy-1,7-diphenylheptan-3-one","exact_mass":282.162,"inchikey":"CCNKTMMNRPJQHV-SFHVURJKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.17038,"smiles":"O[C@@H](CCC1=CC=CC=C1)CC(=O)CCC2=CC=CC=C2","spectrum_id":"CCMSLIB00000845345","spectrum_index":192},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169735-02!(5S)-5-hydroxy-1,7-diphenylheptan-3-one","exact_mass":282.162,"inchikey":"CCNKTMMNRPJQHV-SFHVURJKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.15976,"smiles":"O[C@@H](CCC1=CC=CC=C1)CC(=O)CCC2=CC=CC=C2","spectrum_id":"CCMSLIB00000845347","spectrum_index":193},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015741-12!4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol","exact_mass":302.152,"inchikey":"HCZKYJDFEPMADG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.160553,"smiles":"CC(CC1=CC(O)=C(O)C=C1)C(C)CC2=CC(O)=C(O)C=C2","spectrum_id":"CCMSLIB00000845349","spectrum_index":194},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015741-12!4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol","exact_mass":302.152,"inchikey":"HCZKYJDFEPMADG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.144623,"smiles":"CC(CC1=CC(O)=C(O)C=C1)C(C)CC2=CC(O)=C(O)C=C2","spectrum_id":"CCMSLIB00000845351","spectrum_index":195},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385879-01!4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid","exact_mass":312.063,"inchikey":"ZSKDVJYWOHBGNI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.072052,"smiles":"OC(=O)C1=CC2=CC(O)=C(O)C=C2C(=C1)C3=CC=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000845353","spectrum_index":196},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385879-01!4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid","exact_mass":312.063,"inchikey":"ZSKDVJYWOHBGNI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.062286,"smiles":"OC(=O)C1=CC2=CC(O)=C(O)C=C2C(=C1)C3=CC=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000845355","spectrum_index":197},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180578-03!(2S)-2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one","exact_mass":276.1,"inchikey":"RSIWXFIBHXYNFM-NSHDSACASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.109924,"smiles":"COC1=CC(=O)O[C@@H](CCC2=CC3=C(OCO3)C=C2)C1","spectrum_id":"CCMSLIB00000845357","spectrum_index":198},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180578-03!(2S)-2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one","exact_mass":276.1,"inchikey":"RSIWXFIBHXYNFM-NSHDSACASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":294.1362,"smiles":"COC1=CC(=O)O[C@@H](CCC2=CC3=C(OCO3)C=C2)C1","spectrum_id":"CCMSLIB00000845359","spectrum_index":199},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247464-02!5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one","exact_mass":284.068,"inchikey":"XLTFNNCXVBYBSX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.078491,"smiles":"COC1=C2OC(=CC(=O)C2=C(O)C=C1O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000845361","spectrum_index":200},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347815-02!2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-7-one","exact_mass":314.152,"inchikey":"AOUZZRQCLQLQIF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.162079,"smiles":"CC(C)=CCC1=C2OC(CC2=CC3=C1OC(=O)C=C3)C(C)(C)O","spectrum_id":"CCMSLIB00000845363","spectrum_index":201},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347710-02!4-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one","exact_mass":356.162,"inchikey":"SMOHLDSEWHACKE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.17276,"smiles":"COC1=CC(=O)C(CC=C)=CC1(OC)C(C)CC2=CC=C3OCOC3=C2","spectrum_id":"CCMSLIB00000845365","spectrum_index":202},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347710-02!4-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one","exact_mass":356.162,"inchikey":"SMOHLDSEWHACKE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.16217,"smiles":"COC1=CC(=O)C(CC=C)=CC1(OC)C(C)CC2=CC=C3OCOC3=C2","spectrum_id":"CCMSLIB00000845368","spectrum_index":203},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347710-02!4-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one","exact_mass":356.162,"inchikey":"SMOHLDSEWHACKE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.199066,"smiles":"COC1=CC(=O)C(CC=C)=CC1(OC)C(C)CC2=CC=C3OCOC3=C2","spectrum_id":"CCMSLIB00000845369","spectrum_index":204},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386028-01!(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","exact_mass":446.085,"inchikey":"IKIIZLYTISPENI-ZFORQUDYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.096069,"smiles":"O[C@H]1[C@H](OC2=C(O)C(O)=C3C(=O)C=C(OC3=C2)C4=CC=CC=C4)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000845372","spectrum_index":205},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386047-01!3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":448.101,"inchikey":"YPWHZCPMOQGCDQ-WNZLTNKYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.112183,"smiles":"OC[C@H]1O[C@H](OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000845374","spectrum_index":206},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386047-01!3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":448.101,"inchikey":"YPWHZCPMOQGCDQ-WNZLTNKYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.100006,"smiles":"OC[C@H]1O[C@H](OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000845376","spectrum_index":207},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385604-02!5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","exact_mass":594.158,"inchikey":"FIAAVMJLAGNUKW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.171021,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C4OC(=CC(=O)C4=C2O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000845378","spectrum_index":208},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385382-01!2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-3-one","exact_mass":288.063,"inchikey":"LOFYFDPXORJJEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.069244,"smiles":"OC1=CC=C(CC2(O)OC3=CC(O)=CC(O)=C3C2=O)C=C1","spectrum_id":"CCMSLIB00000845381","spectrum_index":209},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385382-01!2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-3-one","exact_mass":288.063,"inchikey":"LOFYFDPXORJJEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.058594,"smiles":"OC1=CC=C(CC2(O)OC3=CC(O)=CC(O)=C3C2=O)C=C1","spectrum_id":"CCMSLIB00000845384","spectrum_index":210},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385382-01!2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-3-one","exact_mass":288.063,"inchikey":"LOFYFDPXORJJEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":306.096161,"smiles":"OC1=CC=C(CC2(O)OC3=CC(O)=CC(O)=C3C2=O)C=C1","spectrum_id":"CCMSLIB00000845385","spectrum_index":211},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385364-01!3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxychromen-4-one","exact_mass":300.063,"inchikey":"TUTSVLUUGMNALO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.068939,"smiles":"COC1=C2C(=O)C(=COC2=CC(O)=C1)C3=C(O)C=C(O)C=C3","spectrum_id":"CCMSLIB00000845388","spectrum_index":212},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169676-02!5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":324.136,"inchikey":"DAWSYIQAGQMLFS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.141968,"smiles":"CC(C)=CCC1=C2OC(CC(=O)C2=C(O)C=C1O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000845389","spectrum_index":213},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381188-01!(E,2S,3R,4R,5S)-2-acetamido-3,4,5,14-tetrahydroxyicos-6-enoic acid","exact_mass":431.288,"inchikey":"VKFZVQCKAPPEFZ-LNBSYBDWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.293762,"smiles":"CCCCCCC(O)CCCCCC\\C=C\\[C@H](O)[C@@H](O)[C@H](O)[C@H](NC(C)=O)C(O)=O","spectrum_id":"CCMSLIB00000845391","spectrum_index":214},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381188-01!(E,2S,3R,4R,5S)-2-acetamido-3,4,5,14-tetrahydroxyicos-6-enoic acid","exact_mass":431.288,"inchikey":"VKFZVQCKAPPEFZ-LNBSYBDWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":414.282684,"smiles":"CCCCCCC(O)CCCCCC\\C=C\\[C@H](O)[C@@H](O)[C@H](O)[C@H](NC(C)=O)C(O)=O","spectrum_id":"CCMSLIB00000845394","spectrum_index":215},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169399-03!(2R,6R)-6-[(3R,10S,12S,13R,17R)-3-(2-carboxyacetyl)oxy-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid","exact_mass":572.371,"inchikey":"HMOMGSPWDYKCAH-CBLCVTABSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":555.364746,"smiles":"C[C@H](CCC(=C)[C@@H](C)C(O)=O)[C@H]1CCC2(C)C3=C(C[C@H](O)[C@]12C)[C@@]4(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)C4CC3","spectrum_id":"CCMSLIB00000845395","spectrum_index":216},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169399-03!(2R,6R)-6-[(3R,10S,12S,13R,17R)-3-(2-carboxyacetyl)oxy-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid","exact_mass":572.371,"inchikey":"HMOMGSPWDYKCAH-CBLCVTABSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":590.401611,"smiles":"C[C@H](CCC(=C)[C@@H](C)C(O)=O)[C@H]1CCC2(C)C3=C(C[C@H](O)[C@]12C)[C@@]4(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)C4CC3","spectrum_id":"CCMSLIB00000845398","spectrum_index":217},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180533-02!2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid","exact_mass":202.121,"inchikey":"IVOODSRSVJPWLY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":203.129288,"smiles":"CC(O)CC1CCC(O1)C(C)C(O)=O","spectrum_id":"CCMSLIB00000845400","spectrum_index":218},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381340-01!(5E)-heptadeca-5,16-diene-1,2,4-triol","exact_mass":284.235,"inchikey":"JFWVTGPGCLTDNM-OUKQBFOZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.234283,"smiles":"OCC(O)CC(O)\\C=C\\CCCCCCCCCC=C","spectrum_id":"CCMSLIB00000845401","spectrum_index":219},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381421-01!2-ethyl-4-[(Z)-2-[(3-formamido-2-hydroxybenzoyl)amino]but-2-enoyl]oxy-3-(2-methylbutanoyloxy)pentanoic acid","exact_mass":492.211,"inchikey":"JLINBAUQGJKNRS-IUXPMGMMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.222015,"smiles":"CCC(C)C(=O)OC(C(C)OC(=O)C(\\NC(=O)C1=CC=CC(NC=O)=C1O)=C\\C)C(CC)C(O)=O","spectrum_id":"CCMSLIB00000845403","spectrum_index":220},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381421-01!2-ethyl-4-[(Z)-2-[(3-formamido-2-hydroxybenzoyl)amino]but-2-enoyl]oxy-3-(2-methylbutanoyloxy)pentanoic acid","exact_mass":492.211,"inchikey":"JLINBAUQGJKNRS-IUXPMGMMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":515.203308,"smiles":"CCC(C)C(=O)OC(C(C)OC(=O)C(\\NC(=O)C1=CC=CC(NC=O)=C1O)=C\\C)C(CC)C(O)=O","spectrum_id":"CCMSLIB00000845406","spectrum_index":221},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381220-01!16-butan-2-yl-3-(2,3-dihydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone","exact_mass":611.353,"inchikey":"DJYDCIUMNXZSBH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":612.364807,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(O)CO)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000845408","spectrum_index":222},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381220-01!16-butan-2-yl-3-(2,3-dihydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone","exact_mass":611.353,"inchikey":"DJYDCIUMNXZSBH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":634.346497,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(O)CO)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000845410","spectrum_index":223},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381219-01![3,4-dihydroxy-5-[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxy-2-methylidenebutanoyl)oxymethyl]oxan-2-yl]oxybutanoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate","exact_mass":620.232,"inchikey":"JGCNXPIMJMUVKE-OVYOWKQZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":603.233032,"smiles":"OCCC(=C)C(=O)OCC1OCC(OC(=O)C(=C)CCO[C@@H]2O[C@H](COC(=O)C(=C)CCO)[C@@H](O)[C@H](O)[C@H]2O)C(O)C1O","spectrum_id":"CCMSLIB00000845412","spectrum_index":224},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381219-01![3,4-dihydroxy-5-[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxy-2-methylidenebutanoyl)oxymethyl]oxan-2-yl]oxybutanoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate","exact_mass":620.232,"inchikey":"JGCNXPIMJMUVKE-OVYOWKQZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":638.268799,"smiles":"OCCC(=C)C(=O)OCC1OCC(OC(=O)C(=C)CCO[C@@H]2O[C@H](COC(=O)C(=C)CCO)[C@@H](O)[C@H](O)[C@H]2O)C(O)C1O","spectrum_id":"CCMSLIB00000845414","spectrum_index":225},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168948-02!7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one","exact_mass":244.11,"inchikey":"RSZDAYHEZSRVHS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.119095,"smiles":"COC1=C(CC=C(C)C)C=C2C=CC(=O)OC2=C1","spectrum_id":"CCMSLIB00000845416","spectrum_index":226},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384536-01!1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one","exact_mass":272.105,"inchikey":"MDMCODCJMHTFIZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.114624,"smiles":"COC1=CC(O)=C(C(=O)CCC2=CC=CC=C2)C(O)=C1","spectrum_id":"CCMSLIB00000845418","spectrum_index":227},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384536-01!1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one","exact_mass":272.105,"inchikey":"MDMCODCJMHTFIZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.103836,"smiles":"COC1=CC(O)=C(C(=O)CCC2=CC=CC=C2)C(O)=C1","spectrum_id":"CCMSLIB00000845420","spectrum_index":228},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347773-02!1-[4,5-bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methylbutane-2,3-diol","exact_mass":300.157,"inchikey":"MAQMWSUGBCIGLJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.156494,"smiles":"COC1=C(C)C(OCC(O)C(C)(C)O)=CC(CO)=C1CO","spectrum_id":"CCMSLIB00000845422","spectrum_index":229},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347773-02!1-[4,5-bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methylbutane-2,3-diol","exact_mass":300.157,"inchikey":"MAQMWSUGBCIGLJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.193237,"smiles":"COC1=C(C)C(OCC(O)C(C)(C)O)=CC(CO)=C1CO","spectrum_id":"CCMSLIB00000845423","spectrum_index":230},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384538-01!3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":594.158,"inchikey":"BCNBWICEIXAVQF-DLVIKRKZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.168884,"smiles":"C[C@@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC=C(O)C=C4)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845425","spectrum_index":231},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169807-02!(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one","exact_mass":596.174,"inchikey":"OBKKEZLIABHSGY-DOYQYKRZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":597.184998,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=CC4=C(C(=O)C[C@H](O4)C5=CC(O)=C(O)C=C5)C(O)=C3)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845427","spectrum_index":232},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169807-02!(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one","exact_mass":596.174,"inchikey":"OBKKEZLIABHSGY-DOYQYKRZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.174377,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=CC4=C(C(=O)C[C@H](O4)C5=CC(O)=C(O)C=C5)C(O)=C3)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845429","spectrum_index":233},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384535-01!8-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":740.216,"inchikey":"SPWIYFDXMWFJMA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":741.22699,"smiles":"CC1OC(OC2C(O)C(O)C(CO)OC2C3=C4OC(=CC(=O)C4=C(OC5OC(CO)C(O)C(O)C5O)C=C3O)C6=CC=C(O)C=C6)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000845431","spectrum_index":234},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380119-01!3-(5,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one","exact_mass":228.136,"inchikey":"HNNQILZBIHECCU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":246.171555,"smiles":"CC(O)C(O)CCCCC1=C(C)C(=O)OC1","spectrum_id":"CCMSLIB00000845434","spectrum_index":235},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380116-01!2-hexyl-3-hydroxypentanedioic acid","exact_mass":232.131,"inchikey":"MFSMRLNNRGLWQD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":250.166458,"smiles":"CCCCCCC(C(O)CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000845435","spectrum_index":236},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380553-01![3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":484.085,"inchikey":"LYGRISUQIZNHGM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":502.120911,"smiles":"OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C1O","spectrum_id":"CCMSLIB00000845437","spectrum_index":237},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169840-02![2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":506.194,"inchikey":"ZNVUQZAVBXKEGF-WUXMJOGZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":507.203186,"smiles":"COC1=C(O)C=CC(CC2COC(C2COC(=O)\\C=C\\C3=CC=C(O)C=C3)C4=CC(OC)=C(O)C=C4)=C1","spectrum_id":"CCMSLIB00000845439","spectrum_index":238},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169840-02![2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":506.194,"inchikey":"ZNVUQZAVBXKEGF-WUXMJOGZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":548.226685,"smiles":"COC1=C(O)C=CC(CC2COC(C2COC(=O)\\C=C\\C3=CC=C(O)C=C3)C4=CC(OC)=C(O)C=C4)=C1","spectrum_id":"CCMSLIB00000845442","spectrum_index":239},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380543-01![(2R,3S,4S,5R,6R)-6-[(5,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":508.122,"inchikey":"LWONLPZQFYNCMG-ATSIEDNJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":509.130646,"smiles":"O[C@H]1[C@H](O)[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H](OC3CCC(=O)C4=C(O)C=CC(O)=C34)[C@@H]1O","spectrum_id":"CCMSLIB00000845443","spectrum_index":240},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380543-01![(2R,3S,4S,5R,6R)-6-[(5,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":508.122,"inchikey":"LWONLPZQFYNCMG-ATSIEDNJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":526.157532,"smiles":"O[C@H]1[C@H](O)[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H](OC3CCC(=O)C4=C(O)C=CC(O)=C34)[C@@H]1O","spectrum_id":"CCMSLIB00000845446","spectrum_index":241},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380113-01!2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","exact_mass":510.319,"inchikey":"GGLFMIALTLLMEJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":511.330353,"smiles":"CC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(O)CO","spectrum_id":"CCMSLIB00000845447","spectrum_index":242},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380118-01!","exact_mass":642.34,"inchikey":"WUZBIWQZQNLCPP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":643.349365,"smiles":"CC(C)C(=O)OC1CC2C3(C)C(CC(OC(=O)C(C)C)C2(C)C45OC4CC(C6=COC=C6)C15C)C(C)(C)OC(=O)CC3OC(C)=O","spectrum_id":"CCMSLIB00000845449","spectrum_index":243},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180191-03!8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one","exact_mass":276.1,"inchikey":"DKEANOQWICTXTP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.096283,"smiles":"COC1=C(C(O)C(O)C(C)=C)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000845451","spectrum_index":244},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180191-03!8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one","exact_mass":276.1,"inchikey":"DKEANOQWICTXTP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":294.13324,"smiles":"COC1=C(C(O)C(O)C(C)=C)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000845453","spectrum_index":245},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169031-03![6-(2-formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate","exact_mass":436.206,"inchikey":"DORNRAAPIXGDPH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.212646,"smiles":"CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C","spectrum_id":"CCMSLIB00000845460","spectrum_index":246},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169031-03![6-(2-formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate","exact_mass":436.206,"inchikey":"DORNRAAPIXGDPH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.201141,"smiles":"CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C","spectrum_id":"CCMSLIB00000845461","spectrum_index":247},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169031-03![6-(2-formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate","exact_mass":436.206,"inchikey":"DORNRAAPIXGDPH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":454.238434,"smiles":"CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C","spectrum_id":"CCMSLIB00000845463","spectrum_index":248},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169113-03!2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid","exact_mass":510.262,"inchikey":"BSSWIRVAMSGQMG-RTTXQYISSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":511.267578,"smiles":"C[C@@]12CC[C@H](C[C@H]1[C@H](CCC3(O)[C@@H]4C[C@@H](CC[C@@]4(C)C=CC3=O)C(=C)C(O)=O)C(=O)C=C2)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000845466","spectrum_index":249},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169113-03!2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid","exact_mass":510.262,"inchikey":"BSSWIRVAMSGQMG-RTTXQYISSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.257538,"smiles":"C[C@@]12CC[C@H](C[C@H]1[C@H](CCC3(O)[C@@H]4C[C@@H](CC[C@@]4(C)C=CC3=O)C(=C)C(O)=O)C(=O)C=C2)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000845468","spectrum_index":250},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169113-03!2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid","exact_mass":510.262,"inchikey":"BSSWIRVAMSGQMG-RTTXQYISSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":528.297058,"smiles":"C[C@@]12CC[C@H](C[C@H]1[C@H](CCC3(O)[C@@H]4C[C@@H](CC[C@@]4(C)C=CC3=O)C(=C)C(O)=O)C(=O)C=C2)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000845470","spectrum_index":251},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169113-03!2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid","exact_mass":510.262,"inchikey":"BSSWIRVAMSGQMG-RTTXQYISSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":533.24939,"smiles":"C[C@@]12CC[C@H](C[C@H]1[C@H](CCC3(O)[C@@H]4C[C@@H](CC[C@@]4(C)C=CC3=O)C(=C)C(O)=O)C(=O)C=C2)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000845471","spectrum_index":252},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169733-03!(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid","exact_mass":550.169,"inchikey":"JGHUOJAZXGSFRI-HOWDAYCMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.173889,"smiles":"COC(=O)C[C@H]1\\C(=C\\COC(=O)\\C=C\\C2=CC=CC=C2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(O)=O","spectrum_id":"CCMSLIB00000845474","spectrum_index":253},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169733-03!(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid","exact_mass":550.169,"inchikey":"JGHUOJAZXGSFRI-HOWDAYCMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":568.200623,"smiles":"COC(=O)C[C@H]1\\C(=C\\COC(=O)\\C=C\\C2=CC=CC=C2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(O)=O","spectrum_id":"CCMSLIB00000845476","spectrum_index":254},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347745-02!","exact_mass":552.2,"inchikey":"XQJFWXFZEDKVQR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.204956,"smiles":"CC1OC=C2C(=O)C3(OC3C(=O)C24C5OC(C)C(C14)C6=C5C(=O)C7(OC7C6=O)C(O)C=C(C)C)C(O)C=C(C)C","spectrum_id":"CCMSLIB00000845478","spectrum_index":255},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347745-02!","exact_mass":552.2,"inchikey":"XQJFWXFZEDKVQR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.194336,"smiles":"CC1OC=C2C(=O)C3(OC3C(=O)C24C5OC(C)C(C14)C6=C5C(=O)C7(OC7C6=O)C(O)C=C(C)C)C(O)C=C(C)C","spectrum_id":"CCMSLIB00000845479","spectrum_index":256},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347745-02!","exact_mass":552.2,"inchikey":"XQJFWXFZEDKVQR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":570.230774,"smiles":"CC1OC=C2C(=O)C3(OC3C(=O)C24C5OC(C)C(C14)C6=C5C(=O)C7(OC7C6=O)C(O)C=C(C)C)C(O)C=C(C)C","spectrum_id":"CCMSLIB00000845481","spectrum_index":257},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347745-02!","exact_mass":552.2,"inchikey":"XQJFWXFZEDKVQR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":575.186951,"smiles":"CC1OC=C2C(=O)C3(OC3C(=O)C24C5OC(C)C(C14)C6=C5C(=O)C7(OC7C6=O)C(O)C=C(C)C)C(O)C=C(C)C","spectrum_id":"CCMSLIB00000845484","spectrum_index":258},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385057-01!","exact_mass":634.081,"inchikey":"TUSDEZXZIZRFGC-IHMVBCRFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":652.110596,"smiles":"O[C@@H]1C2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C4=C(C=C(O)C(O)=C4O)C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)O2","spectrum_id":"CCMSLIB00000845486","spectrum_index":259},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095528-05!7-methoxychromen-2-one","exact_mass":176.047,"inchikey":"LIIALPBMIOVAHH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":177.054825,"smiles":"COC1=CC2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000845488","spectrum_index":260},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385894-01!methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate","exact_mass":252.1,"inchikey":"KLXHCGFNNUQTEY-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.108002,"smiles":"COC(=O)\\C=C\\C1=CC(OC)=C(OC)C(OC)=C1","spectrum_id":"CCMSLIB00000845489","spectrum_index":261},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385894-01!methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate","exact_mass":252.1,"inchikey":"KLXHCGFNNUQTEY-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":270.134735,"smiles":"COC(=O)\\C=C\\C1=CC(OC)=C(OC)C(OC)=C1","spectrum_id":"CCMSLIB00000845491","spectrum_index":262},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179704-03!2-(8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid","exact_mass":252.173,"inchikey":"FXKCXGBBUBCRPU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.169998,"smiles":"CC1(O)CCCC2(C)CCC(CC12)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000845493","spectrum_index":263},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179704-03!2-(8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid","exact_mass":252.173,"inchikey":"FXKCXGBBUBCRPU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":270.207306,"smiles":"CC1(O)CCCC2(C)CCC(CC12)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000845495","spectrum_index":264},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385930-01!5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one","exact_mass":300.1,"inchikey":"IERGURVELWCYAW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.107849,"smiles":"COC1=CC=C(CC2COC3=CC(O)=CC(O)=C3C2=O)C=C1","spectrum_id":"CCMSLIB00000845498","spectrum_index":265},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347760-02![5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate","exact_mass":326.173,"inchikey":"IVEJMWCGEFICJC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.183228,"smiles":"CC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O","spectrum_id":"CCMSLIB00000845500","spectrum_index":266},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347760-02![5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate","exact_mass":326.173,"inchikey":"IVEJMWCGEFICJC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.2099,"smiles":"CC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O","spectrum_id":"CCMSLIB00000845502","spectrum_index":267},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179820-03!2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl (Z)-2-methylbut-2-enoate","exact_mass":328.131,"inchikey":"HHNCJFKRMZDTHW-WZUFQYTHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.141754,"smiles":"C\\C=C(\\C)C(=O)OC(C)(C)C1CC2=C(O1)C=C3OC(=O)C=CC3=C2","spectrum_id":"CCMSLIB00000845503","spectrum_index":268},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347555-02!2-(21-amino-3,20-dihydroxydocosan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":535.408,"inchikey":"FZSYYVOKNJZJTF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.419922,"smiles":"CC(N)C(O)CCCCCCCCCCCCCCCCC(O)C(C)OC1OC(CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000845505","spectrum_index":269},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347555-02!2-(21-amino-3,20-dihydroxydocosan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":535.408,"inchikey":"FZSYYVOKNJZJTF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":558.401916,"smiles":"CC(N)C(O)CCCCCCCCCCCCCCCCC(O)C(C)OC1OC(CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000845507","spectrum_index":270},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380208-01!bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 3-hydroxy-3-methylpentanedioate","exact_mass":698.242,"inchikey":"HIVUDBSYRZRZSH-DYDXLFEJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":699.253601,"smiles":"CC(O)(CC(=O)OCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1)CC(=O)OCC3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3","spectrum_id":"CCMSLIB00000845513","spectrum_index":271},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380208-01!bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 3-hydroxy-3-methylpentanedioate","exact_mass":698.242,"inchikey":"HIVUDBSYRZRZSH-DYDXLFEJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":716.279724,"smiles":"CC(O)(CC(=O)OCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1)CC(=O)OCC3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3","spectrum_id":"CCMSLIB00000845516","spectrum_index":272},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380211-01!10-[6-[[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","exact_mass":1012.52,"inchikey":"QSBIUKCZJBBYIL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1013.541382,"smiles":"CC1C2C3=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(OC8OCC(O)C(O)C8O)C7O)C(OC9OCC(O)C(O)C9O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(CCC1=C)C(O)=O","spectrum_id":"CCMSLIB00000845517","spectrum_index":273},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380211-01!10-[6-[[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","exact_mass":1012.52,"inchikey":"QSBIUKCZJBBYIL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1030.561157,"smiles":"CC1C2C3=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(OC8OCC(O)C(O)C8O)C7O)C(OC9OCC(O)C(O)C9O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(CCC1=C)C(O)=O","spectrum_id":"CCMSLIB00000845520","spectrum_index":274},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095242-05!5,6-dimethoxyfuro[2,3-h]chromen-2-one","exact_mass":246.053,"inchikey":"BQPRWZCEKZLBHL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.064377,"smiles":"COC1=C2OC=CC2=C3OC(=O)C=CC3=C1OC","spectrum_id":"CCMSLIB00000845522","spectrum_index":275},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385024-01!2,3,4-trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate","exact_mass":272.09,"inchikey":"YTCVPMVUPQABQB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.101868,"smiles":"CC1=C(C(=O)OCC(O)C(O)CO)C(O)=CC(O)=C1","spectrum_id":"CCMSLIB00000845523","spectrum_index":276},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347554-03!(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate","exact_mass":384.121,"inchikey":"AWCUZBLYCWUTRL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.134613,"smiles":"OC1C=CC(OC(=O)C2=CC=CC=C2)C(O)C1(O)COC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000845525","spectrum_index":277},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347554-03!(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate","exact_mass":384.121,"inchikey":"AWCUZBLYCWUTRL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.123535,"smiles":"OC1C=CC(OC(=O)C2=CC=CC=C2)C(O)C1(O)COC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000845527","spectrum_index":278},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347554-03!(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate","exact_mass":384.121,"inchikey":"AWCUZBLYCWUTRL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.161469,"smiles":"OC1C=CC(OC(=O)C2=CC=CC=C2)C(O)C1(O)COC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000845530","spectrum_index":279},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385035-01![8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate","exact_mass":426.168,"inchikey":"XAQHSTCVGOTLHK-AUWJEWJLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.208679,"smiles":"C\\C=C(\\C)C(=O)OC1C(OC2=CC=C3C=CC(=O)OC3=C12)C(C)(C)OC(=O)C=C(C)C","spectrum_id":"CCMSLIB00000845537","spectrum_index":280},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385035-01![8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate","exact_mass":426.168,"inchikey":"XAQHSTCVGOTLHK-AUWJEWJLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.16391,"smiles":"C\\C=C(\\C)C(=O)OC1C(OC2=CC=C3C=CC(=O)OC3=C12)C(C)(C)OC(=O)C=C(C)C","spectrum_id":"CCMSLIB00000845540","spectrum_index":281},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385456-01!2-(3-hexyl-4-methyl-2,5-dioxopyrrol-1-yl)-3-hydroxybutanoic acid","exact_mass":297.158,"inchikey":"PDIJXNGNSUILEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.165741,"smiles":"CCCCCCC1=C(C)C(=O)N(C(C(C)O)C(O)=O)C1=O","spectrum_id":"CCMSLIB00000845542","spectrum_index":282},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385456-01!2-(3-hexyl-4-methyl-2,5-dioxopyrrol-1-yl)-3-hydroxybutanoic acid","exact_mass":297.158,"inchikey":"PDIJXNGNSUILEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.192383,"smiles":"CCCCCCC1=C(C)C(=O)N(C(C(C)O)C(O)=O)C1=O","spectrum_id":"CCMSLIB00000845543","spectrum_index":283},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385444-01!5-(3,4-dihydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol","exact_mass":300.136,"inchikey":"MUBLYIKZGKHTMF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.133789,"smiles":"CC1CC2=CC(O)=C(O)C=C2C(C1C)C3=CC=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000845546","spectrum_index":284},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385444-01!5-(3,4-dihydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol","exact_mass":300.136,"inchikey":"MUBLYIKZGKHTMF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.171021,"smiles":"CC1CC2=CC(O)=C(O)C=C2C(C1C)C3=CC=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000845548","spectrum_index":285},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347769-02![2-hydroxy-1-(4-methoxyphenyl)propyl] 4-methoxybenzoate","exact_mass":316.131,"inchikey":"PCUOEOPTDCUNQQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.128967,"smiles":"COC1=CC=C(C=C1)C(OC(=O)C2=CC=C(OC)C=C2)C(C)O","spectrum_id":"CCMSLIB00000845549","spectrum_index":286},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385443-01!(2S)-3-(3,4-dihydroxyphenyl)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propanoic acid","exact_mass":359.101,"inchikey":"GPZFXSWMDFBRGS-UXONFWTHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":360.108673,"smiles":"OC(=O)[C@H](CC1=CC(O)=C(O)C=C1)NC(=O)\\C=C\\C2=CC(O)=C(O)C=C2","spectrum_id":"CCMSLIB00000845552","spectrum_index":287},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385468-01![(2R,3S,4S,5R,6S)-4-hydroxy-3,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":788.107,"inchikey":"YXZYFHXWEOAXLF-UGAZNADUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":806.141418,"smiles":"O[C@H]1[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](COC(=O)C3=CC(O)=C(O)C(O)=C3)O[C@@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@@H]1OC(=O)C5=CC(O)=C(O)C(O)=C5","spectrum_id":"CCMSLIB00000845554","spectrum_index":288},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380646-01!(E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid","exact_mass":266.115,"inchikey":"MPAYQRIVOSEDQH-WEVVVXLNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.123077,"smiles":"COC1=C(C)C(=O)OC(=C1)C(\\C)=C\\C(C)CC(O)=O","spectrum_id":"CCMSLIB00000845556","spectrum_index":289},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380646-01!(E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid","exact_mass":266.115,"inchikey":"MPAYQRIVOSEDQH-WEVVVXLNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.149506,"smiles":"COC1=C(C)C(=O)OC(=C1)C(\\C)=C\\C(C)CC(O)=O","spectrum_id":"CCMSLIB00000845558","spectrum_index":290},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380903-01!2-hydroxy-2-[2-oxo-2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid","exact_mass":328.152,"inchikey":"RZILTIPWCHNOKU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.186615,"smiles":"CC1(C)C2CCC1(C)C(C2)OC(=O)CC(O)(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000845560","spectrum_index":291},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380917-01!5,7-dihydroxy-2-(2-methylpropyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","exact_mass":396.142,"inchikey":"NZMMULPLBZWYSX-ZIIYPAMZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.149689,"smiles":"CC(C)CC1=CC(=O)C2=C(O)C=C(O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2O1","spectrum_id":"CCMSLIB00000845561","spectrum_index":292},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169202-02!5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde","exact_mass":404.175,"inchikey":"SETVRSKZJJWOPA-FLDGXQSCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.182831,"smiles":"C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)\\C=C\\C(C)=C\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00000845563","spectrum_index":293},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169202-02!5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde","exact_mass":404.175,"inchikey":"SETVRSKZJJWOPA-FLDGXQSCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":422.208984,"smiles":"C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)\\C=C\\C(C)=C\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00000845565","spectrum_index":294},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380643-01!3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid","exact_mass":506.106,"inchikey":"IHGAMZBDEOTTEW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":507.113525,"smiles":"COC1=C(O)C=CC(=C1)C2=C(OC)C(=O)C3=C(O)C=C(OC4OC(C(O)C(O)C4O)C(O)=O)C=C3O2","spectrum_id":"CCMSLIB00000845568","spectrum_index":295},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180261-02!1,11,21-trihydroxy-1,6,11,16,21,26-hexazacyclohentriacontane-2,5,12,15,22,25-hexone","exact_mass":572.317,"inchikey":"YEUGMACLLZSLDG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":573.323669,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00000845569","spectrum_index":296},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180261-02!1,11,21-trihydroxy-1,6,11,16,21,26-hexazacyclohentriacontane-2,5,12,15,22,25-hexone","exact_mass":572.317,"inchikey":"YEUGMACLLZSLDG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.304871,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00000845572","spectrum_index":297},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380645-01![2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":932.259,"inchikey":"KGIKNRDXVXAZPV-RUDMXATFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":933.263245,"smiles":"COC1=C(O)C=CC(=C1)C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5OC6OC(CO)C(O)C(O)C6O)C4OC(=O)\\C=C\\C7=CC=C(O)C=C7)=C(O)C=C3O2","spectrum_id":"CCMSLIB00000845574","spectrum_index":298},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380644-01![2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":948.254,"inchikey":"RUOOWOZSSMOGHQ-XVNBXDOJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":949.257385,"smiles":"COC1=C(O)C=CC(=C1)C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5OC6OC(CO)C(O)C(O)C6O)C4OC(=O)\\C=C\\C7=CC=C(O)C(O)=C7)=C(O)C=C3O2","spectrum_id":"CCMSLIB00000845575","spectrum_index":299},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380284-01!N-(5-acetamidopentyl)acetamide","exact_mass":186.137,"inchikey":"FQKKPLXFGDCBJT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":187.144669,"smiles":"CC(=O)NCCCCCNC(C)=O","spectrum_id":"CCMSLIB00000845578","spectrum_index":300},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380279-01!1,6-dihydroxy-3-methoxy-8-methylxanthen-9-one","exact_mass":272.068,"inchikey":"UIKVQKMDLQHSKA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.076935,"smiles":"COC1=CC(O)=C2C(=O)C3=C(OC2=C1)C=C(O)C=C3C","spectrum_id":"CCMSLIB00000845579","spectrum_index":301},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380283-01!4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid","exact_mass":460.253,"inchikey":"VJQANBSDAGCDJE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.26181,"smiles":"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00000845582","spectrum_index":302},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380283-01!4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid","exact_mass":460.253,"inchikey":"VJQANBSDAGCDJE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.250244,"smiles":"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00000845583","spectrum_index":303},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380283-01!4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid","exact_mass":460.253,"inchikey":"VJQANBSDAGCDJE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":478.294434,"smiles":"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00000845585","spectrum_index":304},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380283-01!4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid","exact_mass":460.253,"inchikey":"VJQANBSDAGCDJE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":483.243378,"smiles":"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00000845587","spectrum_index":305},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380322-01!2-[3,21-dihydroxy-20-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":698.445,"inchikey":"LJMPEBJKUBHVKR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":699.452698,"smiles":"CC(O)C(CCCCCCCCCCCCCCCCC(O)C(C)OC1OC(CO)C(O)C(O)C1O)OC2OC(CO)C(O)C(O)C2O","spectrum_id":"CCMSLIB00000845590","spectrum_index":306},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380322-01!2-[3,21-dihydroxy-20-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":698.445,"inchikey":"LJMPEBJKUBHVKR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":716.479248,"smiles":"CC(O)C(CCCCCCCCCCCCCCCCC(O)C(C)OC1OC(CO)C(O)C(O)C1O)OC2OC(CO)C(O)C(O)C2O","spectrum_id":"CCMSLIB00000845591","spectrum_index":307},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017346-06!5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":272.068,"inchikey":"FTVWIRXFELQLPI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.075958,"smiles":"OC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(O)C=C3O","spectrum_id":"CCMSLIB00000845594","spectrum_index":308},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385410-01!2,3-dihydroxypropyl 3-hydroxy-13-methyltetradecanoate","exact_mass":332.256,"inchikey":"OQLFZIMUPPRHDP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":350.292145,"smiles":"CC(C)CCCCCCCCCC(O)CC(=O)OCC(O)CO","spectrum_id":"CCMSLIB00000845596","spectrum_index":309},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385469-01!1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)-10H-acridin-9-one","exact_mass":379.178,"inchikey":"GLXYKTASIIUSRC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":380.186523,"smiles":"CC(C)=CCC1=C(O)C2=C(NC3=C(O)C=CC=C3C2=O)C(CC=C(C)C)=C1O","spectrum_id":"CCMSLIB00000845597","spectrum_index":310},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00022001-15!(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","exact_mass":414.131,"inchikey":"YJGVMLPVUAXIQN-XVVDYKMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.139526,"smiles":"COC1=CC(=CC(OC)=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)C4=CC5=C(OCO5)C=C24","spectrum_id":"CCMSLIB00000845600","spectrum_index":311},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00022001-15!(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","exact_mass":414.131,"inchikey":"YJGVMLPVUAXIQN-XVVDYKMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.129089,"smiles":"COC1=CC(=CC(OC)=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)C4=CC5=C(OCO5)C=C24","spectrum_id":"CCMSLIB00000845602","spectrum_index":312},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00022001-15!(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","exact_mass":414.131,"inchikey":"YJGVMLPVUAXIQN-XVVDYKMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.165863,"smiles":"COC1=CC(=CC(OC)=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)C4=CC5=C(OCO5)C=C24","spectrum_id":"CCMSLIB00000845603","spectrum_index":313},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347820-02!5-[[17-(5,6-dihydroxy-6-methylheptan-2-yl)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid","exact_mass":636.424,"inchikey":"SWRXIGFQDQTNKP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":637.429749,"smiles":"CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CC(O)C12C)C4(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C4CC3","spectrum_id":"CCMSLIB00000845606","spectrum_index":314},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347820-02!5-[[17-(5,6-dihydroxy-6-methylheptan-2-yl)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid","exact_mass":636.424,"inchikey":"SWRXIGFQDQTNKP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":619.420776,"smiles":"CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CC(O)C12C)C4(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C4CC3","spectrum_id":"CCMSLIB00000845608","spectrum_index":315},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347820-02!5-[[17-(5,6-dihydroxy-6-methylheptan-2-yl)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid","exact_mass":636.424,"inchikey":"SWRXIGFQDQTNKP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":654.456238,"smiles":"CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CC(O)C12C)C4(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C4CC3","spectrum_id":"CCMSLIB00000845610","spectrum_index":316},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169035-02!3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":740.216,"inchikey":"UYVBMGULWGRDQT-KABOUGNXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":741.221741,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OC[C@H]3O[C@@H](OC4=C(OC5=C(C4=O)C(O)=CC(O)=C5)C6=CC=C(O)C=C6)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845612","spectrum_index":317},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169108-02!3-[6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","exact_mass":756.211,"inchikey":"MNIDWWPXTZZMMY-FPMVPXBLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.216919,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OCC3OC(OC4=C(OC5=C(C4=O)C(O)=CC(O)=C5)C6=CC(O)=C(O)C=C6)C(O)C(O)C3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845616","spectrum_index":318},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380803-01!3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoic acid","exact_mass":288.063,"inchikey":"ZULGBROEAWAPKY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.06955,"smiles":"COC1=CC=C(C=C1OC2=C(O)C=CC(C=O)=C2)C(O)=O","spectrum_id":"CCMSLIB00000845620","spectrum_index":319},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380803-01!3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoic acid","exact_mass":288.063,"inchikey":"ZULGBROEAWAPKY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":306.0961,"smiles":"COC1=CC=C(C=C1OC2=C(O)C=CC(C=O)=C2)C(O)=O","spectrum_id":"CCMSLIB00000845621","spectrum_index":320},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180780-02!methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate","exact_mass":332.09,"inchikey":"YJRLSCDUYLRBIZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.095062,"smiles":"COC(=O)C1=C(C(=O)C2=C(O)C=C(C)C=C2O)C(OC)=CC(O)=C1","spectrum_id":"CCMSLIB00000845624","spectrum_index":321},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180582-03!methyl 2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-3,5-dihydroxybenzoate","exact_mass":400.012,"inchikey":"IPUONOHBPFSQMA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.016998,"smiles":"COC(=O)C1=C(C(=O)C2=C(OC)C(Cl)=C(C)C(Cl)=C2O)C(O)=CC(O)=C1","spectrum_id":"CCMSLIB00000845625","spectrum_index":322},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169448-03!5-(1,2,3,4,5,6-hexahydroxyhexoxy)-6-hydroxy-3-methoxy-9-methyl-4,5-dihydro-3H-pyrano[3,4-h][1]benzoxepine-2,7-dione","exact_mass":486.137,"inchikey":"NSIUWPVISVFSGF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":504.16803,"smiles":"COC1CC(OC(O)C(O)C(O)C(O)C(O)CO)C2=C(OC1=O)C=C3C=C(C)OC(=O)C3=C2O","spectrum_id":"CCMSLIB00000845627","spectrum_index":323},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380810-01!","exact_mass":519.226,"inchikey":"GADSICAILMLRQB-GVRUMSNVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":520.230164,"smiles":"CC(=C)[C@]1(O)CC[C@]2(C)[C@H](CC=C(C)[C@]23OC4=C([C@@H]3O)C(=O)OC(=C4)C5=CN=CC=C5)[C@@]16CCC(=O)OC6","spectrum_id":"CCMSLIB00000845629","spectrum_index":324},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380810-01!","exact_mass":519.226,"inchikey":"GADSICAILMLRQB-GVRUMSNVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":502.220306,"smiles":"CC(=C)[C@]1(O)CC[C@]2(C)[C@H](CC=C(C)[C@]23OC4=C([C@@H]3O)C(=O)OC(=C4)C5=CN=CC=C5)[C@@]16CCC(=O)OC6","spectrum_id":"CCMSLIB00000845631","spectrum_index":325},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380866-01!(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]-2,3-dihydrochromen-4-one","exact_mass":580.179,"inchikey":"HFSJWNXFQYKQNX-GTTIYPEBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":581.183716,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C3=C(O)C=C4O[C@@H](CC(=O)C4=C3O)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845634","spectrum_index":326},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380866-01!(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]-2,3-dihydrochromen-4-one","exact_mass":580.179,"inchikey":"HFSJWNXFQYKQNX-GTTIYPEBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":603.164856,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C3=C(O)C=C4O[C@@H](CC(=O)C4=C3O)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845636","spectrum_index":327},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169723-02![(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate","exact_mass":600.112,"inchikey":"KTTNFIOZYNBKEY-YIOJSCHVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":601.11499,"smiles":"C[C@@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C4=CC(O)=C(O)C=C4)[C@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845637","spectrum_index":328},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385620-01![4-(1-acetyloxyprop-2-enyl)-2-methoxyphenyl] 2-methylpropanoate","exact_mass":292.131,"inchikey":"AZEASYGWRLHADI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.162964,"smiles":"COC1=C(OC(=O)C(C)C)C=CC(=C1)C(OC(C)=O)C=C","spectrum_id":"CCMSLIB00000845640","spectrum_index":329},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385612-01!5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxychromen-4-one","exact_mass":360.085,"inchikey":"BZXULYMZYPRZOG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.089508,"smiles":"COC1=CC=C(C=C1O)C2=C(OC)C(=O)C3=C(O2)C=C(O)C(OC)=C3O","spectrum_id":"CCMSLIB00000845642","spectrum_index":330},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385635-01!(E)-3-[3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]phenyl]prop-2-en-1-ol","exact_mass":388.189,"inchikey":"CZVGIALASULOAU-VOTSOKGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.19342,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(\\C=C\\CO)C=C2)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000845644","spectrum_index":331},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385635-01!(E)-3-[3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]phenyl]prop-2-en-1-ol","exact_mass":388.189,"inchikey":"CZVGIALASULOAU-VOTSOKGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.182953,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(\\C=C\\CO)C=C2)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000845645","spectrum_index":332},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385635-01!(E)-3-[3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]phenyl]prop-2-en-1-ol","exact_mass":388.189,"inchikey":"CZVGIALASULOAU-VOTSOKGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.219971,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(\\C=C\\CO)C=C2)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000845648","spectrum_index":333},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385621-01!2-(hydroxymethyl)-1-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione","exact_mass":578.164,"inchikey":"XXKWBXGHSBIVHQ-ALLCIABXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.166077,"smiles":"COC1=C(CO)C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC4=C1C(=O)C5=CC=CC=C5C4=O","spectrum_id":"CCMSLIB00000845650","spectrum_index":334},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385621-01!2-(hydroxymethyl)-1-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione","exact_mass":578.164,"inchikey":"XXKWBXGHSBIVHQ-ALLCIABXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":596.193359,"smiles":"COC1=C(CO)C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC4=C1C(=O)C5=CC=CC=C5C4=O","spectrum_id":"CCMSLIB00000845652","spectrum_index":335},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385640-01!5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one","exact_mass":652.2,"inchikey":"QVXXLWMUTXHCGR-XBRZVJLKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":653.203125,"smiles":"COC1=CC(=CC(OC)=C1OC)C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2","spectrum_id":"CCMSLIB00000845653","spectrum_index":336},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385628-01![(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":724.179,"inchikey":"RMHWAEFAOBGGBH-GLRBGJJXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":725.182312,"smiles":"C[C@@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC=C(O)C=C4)[C@H](O)[C@H](OC(=O)\\C=C\\C5=CC=C(O)C=C5)[C@H]1OC(=O)\\C=C\\C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00000845656","spectrum_index":337},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017270-07!7,8-dihydroxy-6-methoxychromen-2-one","exact_mass":208.037,"inchikey":"HAVWRBANWNTOJX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":209.046005,"smiles":"COC1=C(O)C(O)=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00000845657","spectrum_index":338},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017270-07!7,8-dihydroxy-6-methoxychromen-2-one","exact_mass":208.037,"inchikey":"HAVWRBANWNTOJX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":226.07283,"smiles":"COC1=C(O)C(O)=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00000845659","spectrum_index":339},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347693-02![5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] 3,4-dihydroxy-2-methylidenebutanoate","exact_mass":410.194,"inchikey":"PUUYULQKNFTVDK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.204742,"smiles":"COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(=C)C(O)CO)C=C","spectrum_id":"CCMSLIB00000845662","spectrum_index":340},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347678-02!7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one","exact_mass":462.189,"inchikey":"KQQLSXWIDDTWRR-WUOZLOAJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":480.22702,"smiles":"O[C@@H]1CO[C@@H](OC(CCC2=CC=C(O)C(O)=C2)CC(=O)CCC3=CC=C(O)C=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845664","spectrum_index":341},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347678-02!7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one","exact_mass":462.189,"inchikey":"KQQLSXWIDDTWRR-WUOZLOAJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":501.16391,"smiles":"O[C@@H]1CO[C@@H](OC(CCC2=CC=C(O)C(O)=C2)CC(=O)CCC3=CC=C(O)C=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845666","spectrum_index":342},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384547-01!6-methoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one","exact_mass":500.153,"inchikey":"FCIZPHNZRNLUJD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.145752,"smiles":"COC1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C=C4OC(=O)C=CC4=C1","spectrum_id":"CCMSLIB00000845670","spectrum_index":343},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384547-01!6-methoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one","exact_mass":500.153,"inchikey":"FCIZPHNZRNLUJD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":539.101257,"smiles":"COC1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C=C4OC(=O)C=CC4=C1","spectrum_id":"CCMSLIB00000845671","spectrum_index":344},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384548-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":540.163,"inchikey":"QACRJXSXSVUOFZ-HINKZNOMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":541.173645,"smiles":"CC(=O)CC1=CC(=O)C2=C(C)C=C(O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)\\C=C\\C4=CC=C(O)C=C4)=C2O1","spectrum_id":"CCMSLIB00000845675","spectrum_index":345},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384546-01!7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-methoxychromen-2-one","exact_mass":646.211,"inchikey":"LLQBCHODNVGKSF-RVXDDWIJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":647.22168,"smiles":"COC1=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C=C5OC(=O)C=CC5=C1","spectrum_id":"CCMSLIB00000845679","spectrum_index":346},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380398-01!2-[(3,6-dihydroxy-5-methoxy-7-methyl-4-oxochromen-2-yl)amino]propanoic acid","exact_mass":309.085,"inchikey":"WSUXEZDMDYGUMC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.092773,"smiles":"COC1=C(O)C(C)=CC2=C1C(=O)C(O)=C(NC(C)C(O)=O)O2","spectrum_id":"CCMSLIB00000845681","spectrum_index":347},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380398-01!2-[(3,6-dihydroxy-5-methoxy-7-methyl-4-oxochromen-2-yl)amino]propanoic acid","exact_mass":309.085,"inchikey":"WSUXEZDMDYGUMC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.108459,"smiles":"COC1=C(O)C(C)=CC2=C1C(=O)C(O)=C(NC(C)C(O)=O)O2","spectrum_id":"CCMSLIB00000845684","spectrum_index":348},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380241-01!5-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":338.1,"inchikey":"DXBGTODWNFZHCD-LMXXTMHSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.108063,"smiles":"CC1=C2C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(=O)OC2=CC=C1","spectrum_id":"CCMSLIB00000845685","spectrum_index":349},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380394-01!methyl 2-(4a,6,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate","exact_mass":350.1,"inchikey":"HILBWEPXZDMOAE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":368.135223,"smiles":"COC(=O)CC1CC2(O)C(=O)C3=C(O)C=CC=C3C(=O)C2(O)C(C)O1","spectrum_id":"CCMSLIB00000845690","spectrum_index":350},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380399-01!5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-(1,2,6-trimethyl-5-oxocyclohex-3-en-1-yl)penta-2,4-dienyl]benzaldehyde","exact_mass":402.16,"inchikey":"ZLAQYJKDQSZARB-OGCXVWDESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.16748,"smiles":"CC1C=CC(=O)C(C)C1(C)\\C=C\\C(C)=C\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00000845692","spectrum_index":351},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380399-01!5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-(1,2,6-trimethyl-5-oxocyclohex-3-en-1-yl)penta-2,4-dienyl]benzaldehyde","exact_mass":402.16,"inchikey":"ZLAQYJKDQSZARB-OGCXVWDESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.165405,"smiles":"CC1C=CC(=O)C(C)C1(C)\\C=C\\C(C)=C\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00000845694","spectrum_index":352},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380399-01!5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-(1,2,6-trimethyl-5-oxocyclohex-3-en-1-yl)penta-2,4-dienyl]benzaldehyde","exact_mass":402.16,"inchikey":"ZLAQYJKDQSZARB-OGCXVWDESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":420.194366,"smiles":"CC1C=CC(=O)C(C)C1(C)\\C=C\\C(C)=C\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00000845695","spectrum_index":353},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380399-01!5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-(1,2,6-trimethyl-5-oxocyclohex-3-en-1-yl)penta-2,4-dienyl]benzaldehyde","exact_mass":402.16,"inchikey":"ZLAQYJKDQSZARB-OGCXVWDESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.203308,"smiles":"CC1C=CC(=O)C(C)C1(C)\\C=C\\C(C)=C\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00000845698","spectrum_index":354},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380243-01!","exact_mass":412.116,"inchikey":"VXTQFTUOAJRUDO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.123901,"smiles":"CC(C)(O)CCC1=C2OC3=C(C(=O)C2=C(O)C=C1)C(O)=C4C(OC5OC=CC45O)=C3","spectrum_id":"CCMSLIB00000845700","spectrum_index":355},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380243-01!","exact_mass":412.116,"inchikey":"VXTQFTUOAJRUDO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.113373,"smiles":"CC(C)(O)CCC1=C2OC3=C(C(=O)C2=C(O)C=C1)C(O)=C4C(OC5OC=CC45O)=C3","spectrum_id":"CCMSLIB00000845701","spectrum_index":356},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380504-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one","exact_mass":456.127,"inchikey":"SXPBJYHKMRWZNA-ZITSYKRSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.135284,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OC3=CC=C4C=CC(=O)OC4=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000845704","spectrum_index":357},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380504-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one","exact_mass":456.127,"inchikey":"SXPBJYHKMRWZNA-ZITSYKRSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":474.163116,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OC3=CC=C4C=CC(=O)OC4=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000845705","spectrum_index":358},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380504-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one","exact_mass":456.127,"inchikey":"SXPBJYHKMRWZNA-ZITSYKRSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.117157,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OC3=CC=C4C=CC(=O)OC4=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000845708","spectrum_index":359},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380510-01![6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":752.122,"inchikey":"GAWOMYRLBFCSGL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":753.133362,"smiles":"OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C=C5)C(OC(=O)C6=CC(O)=C(O)C(O)=C6)C1O","spectrum_id":"CCMSLIB00000845709","spectrum_index":360},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016435-14!7-methoxy-1-methyl-9H-pyrido[3,4-b]indole","exact_mass":212.095,"inchikey":"BXNJHAXVSOCGBA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":213.10498,"smiles":"COC1=CC2=C(C=C1)C3=CC=NC(C)=C3N2","spectrum_id":"CCMSLIB00000845712","spectrum_index":361},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180751-02!(2R)-5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":270.089,"inchikey":"ORJDDOBAOGKRJV-CQSZACIVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.099457,"smiles":"COC1=CC2=C(C(=O)C[C@@H](O2)C3=CC=CC=C3)C(O)=C1","spectrum_id":"CCMSLIB00000845714","spectrum_index":362},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385966-01!4-[5-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dihydrofuran-2-yl]phenol","exact_mass":282.126,"inchikey":"QLSUUELDMMCCEI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.162811,"smiles":"CC1=C(C)C(OC1C2=CC=C(O)C=C2)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000845716","spectrum_index":363},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385984-01!2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one","exact_mass":424.189,"inchikey":"OKBQXURKDRNMAB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.200195,"smiles":"CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OC(CC(=O)C2=C1O)C3=CC(O)=CC(O)=C3","spectrum_id":"CCMSLIB00000845717","spectrum_index":364},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00161931-02!4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","exact_mass":400.116,"inchikey":"JGGWNGRBXJWAOC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.122467,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)CC4=C2C=C5OCOC5=C4O","spectrum_id":"CCMSLIB00000845720","spectrum_index":365},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00161931-02!4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","exact_mass":400.116,"inchikey":"JGGWNGRBXJWAOC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.147888,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)CC4=C2C=C5OCOC5=C4O","spectrum_id":"CCMSLIB00000845722","spectrum_index":366},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380154-01!","exact_mass":443.159,"inchikey":"BOZGEGDMHAOPIQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.165771,"smiles":"CC1NC2N(C1=O)C3=CC=CC=C3C24CC5N6C(=O)C7=C(C=CC=C7)N=C6C(O4)N(C)C5=O","spectrum_id":"CCMSLIB00000845724","spectrum_index":367},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380154-01!","exact_mass":443.159,"inchikey":"BOZGEGDMHAOPIQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":426.15506,"smiles":"CC1NC2N(C1=O)C3=CC=CC=C3C24CC5N6C(=O)C7=C(C=CC=C7)N=C6C(O4)N(C)C5=O","spectrum_id":"CCMSLIB00000845726","spectrum_index":368},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384616-01!5-hydroxy-6,7-dimethoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one","exact_mass":476.132,"inchikey":"RETJLKUBHXTIGH-FZFRBNDOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":477.138092,"smiles":"COC1=C(OC)C(O)=C2C(=O)C=C(OC2=C1)C3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3","spectrum_id":"CCMSLIB00000845727","spectrum_index":369},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380158-01!2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoic acid","exact_mass":559.31,"inchikey":"YBUWNKPGCLTWJO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":560.315491,"smiles":"CC(C)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00000845729","spectrum_index":370},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380158-01!2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoic acid","exact_mass":559.31,"inchikey":"YBUWNKPGCLTWJO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.341797,"smiles":"CC(C)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00000845732","spectrum_index":371},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168920-03![4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":756.248,"inchikey":"UDHCHDJLZGYDDM-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":774.276611,"smiles":"CC1OC(OC2C(O)C(OCCC3=CC(O)=C(O)C=C3)OC(CO)C2OC(=O)\\C=C\\C4=CC(O)=C(O)C=C4)C(OC5OCC(O)C(O)C5O)C(O)C1O","spectrum_id":"CCMSLIB00000845734","spectrum_index":372},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380425-01!1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-one","exact_mass":322.214,"inchikey":"LPIOEJKQFMDVFS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.223877,"smiles":"CC(O)CCCCCCCCCC(=O)CC1=CC(O)=CC(O)=C1","spectrum_id":"CCMSLIB00000845736","spectrum_index":373},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380425-01!1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-one","exact_mass":322.214,"inchikey":"LPIOEJKQFMDVFS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":340.250336,"smiles":"CC(O)CCCCCCCCCC(=O)CC1=CC(O)=CC(O)=C1","spectrum_id":"CCMSLIB00000845738","spectrum_index":374},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380425-01!1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-one","exact_mass":322.214,"inchikey":"LPIOEJKQFMDVFS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.251068,"smiles":"CC(O)CCCCCCCCCC(=O)CC1=CC(O)=CC(O)=C1","spectrum_id":"CCMSLIB00000845739","spectrum_index":375},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380428-01!4-hydroxy-5-methyl-3-[2-methyl-1-(4-methyl-5-oxooxolan-2-yl)but-3-en-2-yl]chromen-2-one","exact_mass":342.147,"inchikey":"VKRXLYDRMJTDGD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.156158,"smiles":"CC1CC(CC(C)(C=C)C2=C(O)C3=C(C)C=CC=C3OC2=O)OC1=O","spectrum_id":"CCMSLIB00000845742","spectrum_index":376},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380490-01!(E)-3-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]prop-2-enal","exact_mass":356.162,"inchikey":"PUDXYWKCEYLTMQ-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.171692,"smiles":"COC1=C(OC)C=C(CC(C)OC2=C(OC)C=C(\\C=C\\C=O)C=C2)C=C1","spectrum_id":"CCMSLIB00000845743","spectrum_index":377},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380490-01!(E)-3-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]prop-2-enal","exact_mass":356.162,"inchikey":"PUDXYWKCEYLTMQ-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.161255,"smiles":"COC1=C(OC)C=C(CC(C)OC2=C(OC)C=C(\\C=C\\C=O)C=C2)C=C1","spectrum_id":"CCMSLIB00000845745","spectrum_index":378},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347508-02!4-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]anilino]-4-oxobutanoic acid","exact_mass":369.142,"inchikey":"DNDACVRMGDHDQY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":370.152039,"smiles":"CC(O)C(O)(C(C)O)C(=O)OCC1=CC=CC=C1NC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00000845747","spectrum_index":379},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347508-02!4-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]anilino]-4-oxobutanoic acid","exact_mass":369.142,"inchikey":"DNDACVRMGDHDQY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.182861,"smiles":"CC(O)C(O)(C(C)O)C(=O)OCC1=CC=CC=C1NC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00000845750","spectrum_index":380},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347508-02!4-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]anilino]-4-oxobutanoic acid","exact_mass":369.142,"inchikey":"DNDACVRMGDHDQY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":392.133118,"smiles":"CC(O)C(O)(C(C)O)C(=O)OCC1=CC=CC=C1NC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00000845751","spectrum_index":381},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380489-01!(E)-3-[3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]phenyl]prop-2-enal","exact_mass":386.173,"inchikey":"SFBXSVRVKLGYSH-VOTSOKGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.167786,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(\\C=C\\C=O)C=C2)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000845755","spectrum_index":382},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380476-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one","exact_mass":434.121,"inchikey":"QKPKGDDHOGIEOO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.131592,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C=C3OC(CC(=O)C3=C2O)C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000845758","spectrum_index":383},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380483-01!2-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8,10-trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-one","exact_mass":850.232,"inchikey":"XVYHBBAKYWDFRE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":851.244995,"smiles":"OCC1OC(C(O)C(O)C1O)C2(O)C3=C(C(=O)C4=C2C=C(CO)C=C4O)C(O)=C(C=C3)C6(C5OC(CO)C(O)C(O)C5O)C7=CC=CC(O)=C7C(=O)C8=C6C=C(CO)C=C8O","spectrum_id":"CCMSLIB00000845760","spectrum_index":384},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380483-01!2-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8,10-trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-one","exact_mass":850.232,"inchikey":"XVYHBBAKYWDFRE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":868.274963,"smiles":"OCC1OC(C(O)C(O)C1O)C2(O)C3=C(C(=O)C4=C2C=C(CO)C=C4O)C(O)=C(C=C3)C6(C5OC(CO)C(O)C(O)C5O)C7=CC=CC(O)=C7C(=O)C8=C6C=C(CO)C=C8O","spectrum_id":"CCMSLIB00000845761","spectrum_index":385},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169887-02!2-(2-acetyl-3-hydroxy-5-methoxyphenyl)acetic acid","exact_mass":224.068,"inchikey":"UYUOIPIOTPMHKV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":225.074509,"smiles":"COC1=CC(CC(O)=O)=C(C(C)=O)C(O)=C1","spectrum_id":"CCMSLIB00000845767","spectrum_index":386},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380472-01!4,7,8-trimethoxy-3,5-dimethylchromen-2-one","exact_mass":264.1,"inchikey":"PKKTXAMCHLIVDS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.10556,"smiles":"COC1=C(OC)C2=C(C(C)=C1)C(OC)=C(C)C(=O)O2","spectrum_id":"CCMSLIB00000845769","spectrum_index":387},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380472-01!4,7,8-trimethoxy-3,5-dimethylchromen-2-one","exact_mass":264.1,"inchikey":"PKKTXAMCHLIVDS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.13205,"smiles":"COC1=C(OC)C2=C(C(C)=C1)C(OC)=C(C)C(=O)O2","spectrum_id":"CCMSLIB00000845771","spectrum_index":388},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169490-02!3-butan-2-yl-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione","exact_mass":270.137,"inchikey":"FLHQAMWKNPOTDV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.142639,"smiles":"CCC(C)C1NC(=O)C2=C1N(C)C3=C(C=CC=C3)C2=O","spectrum_id":"CCMSLIB00000845774","spectrum_index":389},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380897-01!2-dec-9-enyl-3-hydroxypentanedioic acid","exact_mass":286.178,"inchikey":"ZFABEUFWUOOQMI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":304.210419,"smiles":"OC(CC(O)=O)C(CCCCCCCCC=C)C(O)=O","spectrum_id":"CCMSLIB00000845775","spectrum_index":390},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380904-01!1-(3,4-dihydroxy-5-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptan-3-one","exact_mass":360.157,"inchikey":"VROIYIJLFIRSJU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.189819,"smiles":"COC1=C(O)C(O)=CC(CCC(=O)CCCCC2=CC=C(O)C(O)=C2)=C1","spectrum_id":"CCMSLIB00000845777","spectrum_index":391},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380882-01!5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde","exact_mass":406.191,"inchikey":"IJEHYEVNWOYGMS-WGUBEYSISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.195862,"smiles":"C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)CC\\C(C)=C\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00000845779","spectrum_index":392},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380882-01!5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde","exact_mass":406.191,"inchikey":"IJEHYEVNWOYGMS-WGUBEYSISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":424.223633,"smiles":"C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)CC\\C(C)=C\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00000845782","spectrum_index":393},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180263-02!4-[(2S)-2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one","exact_mass":466.148,"inchikey":"VCJBNRNRYLKSGX-OOBAEQHESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":467.151611,"smiles":"CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4","spectrum_id":"CCMSLIB00000845783","spectrum_index":394},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00025059-05!2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide","exact_mass":1254.63,"inchikey":"RJURFGZVJUQBHK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1255.626221,"smiles":"CC(C)C1NC(=O)C(NC(=O)C2=C3N=C4C(OC3=C(C)C=C2)=C(C)C(=O)C(N)=C4C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O","spectrum_id":"CCMSLIB00000845786","spectrum_index":395},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380609-02!4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one","exact_mass":224.068,"inchikey":"MJPSOCVCUXUXLP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":225.077789,"smiles":"COC1=CC(O)=C2C(=O)OC(C)C(O)C2=C1","spectrum_id":"CCMSLIB00000845788","spectrum_index":396},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381422-01!2-dec-4-enyl-3-hydroxypentanedioic acid","exact_mass":286.178,"inchikey":"XHJITGZAWUNULF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.187866,"smiles":"CCCCCC=CCCCC(C(O)CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000845792","spectrum_index":397},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381145-01!(7,9b-dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) hexanoate","exact_mass":380.22,"inchikey":"CCTUVGJRXQPMOJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.230469,"smiles":"CCCCCC(=O)OC1C=C2C(=O)OCC2(O)C3(C)CCC(O)C(C)(C)C13","spectrum_id":"CCMSLIB00000845794","spectrum_index":398},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381145-01!(7,9b-dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) hexanoate","exact_mass":380.22,"inchikey":"CCTUVGJRXQPMOJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.220184,"smiles":"CCCCCC(=O)OC1C=C2C(=O)OCC2(O)C3(C)CCC(O)C(C)(C)C13","spectrum_id":"CCMSLIB00000845795","spectrum_index":399},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid","exact_mass":398.23,"inchikey":"XFNIQDLOQLIJTQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.241089,"smiles":"CCC(CC1CCC(O1)C(C)C(O)=O)OC(=O)C(C)C2CCC(CC(C)=O)O2","spectrum_id":"CCMSLIB00000845798","spectrum_index":400},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid","exact_mass":398.23,"inchikey":"XFNIQDLOQLIJTQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":416.268005,"smiles":"CCC(CC1CCC(O1)C(C)C(O)=O)OC(=O)C(C)C2CCC(CC(C)=O)O2","spectrum_id":"CCMSLIB00000845801","spectrum_index":401},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid","exact_mass":398.23,"inchikey":"XFNIQDLOQLIJTQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.222961,"smiles":"CCC(CC1CCC(O1)C(C)C(O)=O)OC(=O)C(C)C2CCC(CC(C)=O)O2","spectrum_id":"CCMSLIB00000845803","spectrum_index":402},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385434-02!8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":594.158,"inchikey":"FYTOTHFWELWOCG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.169739,"smiles":"OCC1OC(OC2C(O)C(O)C(CO)OC2C3=C4OC(=CC(=O)C4=C(O)C=C3O)C5=CC=C(O)C=C5)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000845805","spectrum_index":403},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381288-01!2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","exact_mass":747.404,"inchikey":"GQCJWFPDXATUKS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":748.416382,"smiles":"CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CCCCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000845809","spectrum_index":404},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381288-01!2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","exact_mass":747.404,"inchikey":"GQCJWFPDXATUKS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":770.398499,"smiles":"CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CCCCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000845811","spectrum_index":405},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380809-01!(6aS)-1,2,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10-ol","exact_mass":341.163,"inchikey":"KJAVJETZYFENNG-ZDUSSCGKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":342.168396,"smiles":"COC1=C(OC)C2=C3[C@H](CC4=C2C(OC)=C(O)C=C4)N(C)CCC3=C1","spectrum_id":"CCMSLIB00000845813","spectrum_index":406},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380863-01!5-hydroxy-2-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":354.095,"inchikey":"BYYDEEAJCDGLER-YMILTQATSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.100403,"smiles":"CC1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1","spectrum_id":"CCMSLIB00000845816","spectrum_index":407},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380861-01!","exact_mass":520.194,"inchikey":"XOEFANNJIKAWGX-BTBZVGSOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.199036,"smiles":"CCCCCC[C@H](O)[C@@H]1[C@H](O)C2=C(C[C@H](CC3=C1C(=O)OC3O)[C@@H](O)C4CC=CC(=O)O4)C(=O)OC2=O","spectrum_id":"CCMSLIB00000845818","spectrum_index":408},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380861-01!","exact_mass":520.194,"inchikey":"XOEFANNJIKAWGX-BTBZVGSOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":538.225586,"smiles":"CCCCCC[C@H](O)[C@@H]1[C@H](O)C2=C(C[C@H](CC3=C1C(=O)OC3O)[C@@H](O)C4CC=CC(=O)O4)C(=O)OC2=O","spectrum_id":"CCMSLIB00000845819","spectrum_index":409},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380864-01!7-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":580.179,"inchikey":"DFPMSGMNTNDNHN-GORRZPGTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":581.182922,"smiles":"C[C@@H]1O[C@@H](OC2C(O)C(O)C(CO)OC2OC3=CC(O)=C4C(=O)CC(OC4=C3)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845821","spectrum_index":410},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380864-01!7-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":580.179,"inchikey":"DFPMSGMNTNDNHN-GORRZPGTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":598.211121,"smiles":"C[C@@H]1O[C@@H](OC2C(O)C(O)C(CO)OC2OC3=CC(O)=C4C(=O)CC(OC4=C3)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845824","spectrum_index":411},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179867-02![(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":636.096,"inchikey":"RNKMOGIPOMVCHO-SJMVAQJGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":654.125549,"smiles":"O[C@@H]1[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@H]1OC(=O)C4=CC(O)=C(O)C(O)=C4","spectrum_id":"CCMSLIB00000845825","spectrum_index":412},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380802-01!3-[4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":740.216,"inchikey":"WRXVPTMENPZUIZ-AAHJCKKMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":741.220093,"smiles":"C[C@@H]1O[C@@H](OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C=C5)C(O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(O)C2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845828","spectrum_index":413},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347634-02!2,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-12,16-dione","exact_mass":318.183,"inchikey":"DFKDHZBMIJQPIK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.192566,"smiles":"CC12CC(=O)CC1C3CCC4CC(O)C(O)CC4(C)C3=CC2=O","spectrum_id":"CCMSLIB00000845829","spectrum_index":414},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381139-01!6-benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone","exact_mass":570.342,"inchikey":"RWTAMSAIOGWNBT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":571.351624,"smiles":"CCC(C)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCCC(=O)C(C)O)NC(=O)C3CCCCN3C1=O","spectrum_id":"CCMSLIB00000845831","spectrum_index":415},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381139-01!6-benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone","exact_mass":570.342,"inchikey":"RWTAMSAIOGWNBT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":588.37793,"smiles":"CCC(C)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCCC(=O)C(C)O)NC(=O)C3CCCCN3C1=O","spectrum_id":"CCMSLIB00000845834","spectrum_index":416},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385770-01!2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":580.143,"inchikey":"QOYOSTICCWYNER-YCAXZUJKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":581.153015,"smiles":"OC1COC(OC[C@H]2O[C@@H](OC3=CC(O)=C4C(=O)C=C(OC4=C3)C5=CC(O)=C(O)C=C5)[C@H](O)[C@@H](O)[C@@H]2O)C(O)C1O","spectrum_id":"CCMSLIB00000845835","spectrum_index":417},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385756-01!(2S)-2-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":712.221,"inchikey":"JUYBMOHJXUXKDN-AXCQTIHMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":713.232422,"smiles":"OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C[C@H](OC3=C2)C4=CC=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6OC[C@](O)(CO)[C@H]6O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000845838","spectrum_index":418},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380673-01!4-[1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2-methoxyphenol","exact_mass":344.162,"inchikey":"WCFYXOLUODJLKB-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.158875,"smiles":"COC1=C(O)C=CC(=C1)C(O)C(C)OC2=C(OC)C=C(C=C2)\\C=C\\C","spectrum_id":"CCMSLIB00000845840","spectrum_index":419},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380673-01!4-[1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2-methoxyphenol","exact_mass":344.162,"inchikey":"WCFYXOLUODJLKB-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.195923,"smiles":"COC1=C(O)C=CC(=C1)C(O)C(C)OC2=C(OC)C=C(C=C2)\\C=C\\C","spectrum_id":"CCMSLIB00000845842","spectrum_index":420},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168890-02!6,7-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":384.106,"inchikey":"MLOMRDQPPYHSAX-QSDFBURQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.113342,"smiles":"COC1=C(OC)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C3OC(=O)C=CC3=C1","spectrum_id":"CCMSLIB00000845848","spectrum_index":421},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168890-02!6,7-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":384.106,"inchikey":"MLOMRDQPPYHSAX-QSDFBURQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.138947,"smiles":"COC1=C(OC)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C3OC(=O)C=CC3=C1","spectrum_id":"CCMSLIB00000845850","spectrum_index":422},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380672-01!2-[3-(6-acetyloxy-2-hydroxy-6-methyl-3-oxoheptan-2-yl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid","exact_mass":592.325,"inchikey":"JRWYAESVJOLYCQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":610.35675,"smiles":"CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C(C(CC(O)=O)C3(C)C(=O)CC12C)C(C)(C)C(O)=O","spectrum_id":"CCMSLIB00000845851","spectrum_index":423},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169437-02!5-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-(3,4-dihydroxyphenyl)-7-methoxychromen-2-one","exact_mass":594.158,"inchikey":"KNCNSYQYJUBLPW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.163696,"smiles":"COC1=CC2=C(C(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)=C1)C(=CC(=O)O2)C5=CC(O)=C(O)C=C5","spectrum_id":"CCMSLIB00000845854","spectrum_index":424},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169437-02!5-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-(3,4-dihydroxyphenyl)-7-methoxychromen-2-one","exact_mass":594.158,"inchikey":"KNCNSYQYJUBLPW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":617.146912,"smiles":"COC1=CC2=C(C(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)=C1)C(=CC(=O)O2)C5=CC(O)=C(O)C=C5","spectrum_id":"CCMSLIB00000845855","spectrum_index":425},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380675-01![(2R,3S,4S,5R,6R)-6-[1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate","exact_mass":698.257,"inchikey":"QXXKEARZEYWTST-QLHFFRPFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":699.261108,"smiles":"COC1=C(OC)C=C(\\C=C\\C(=O)OC[C@H]2O[C@@H](OC(CCC3=CC(O)=C(O)C=C3)CC(=O)CCC4=CC=C(O)C(O)=C4)[C@H](O)[C@@H](O)[C@@H]2O)C=C1","spectrum_id":"CCMSLIB00000845858","spectrum_index":426},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380675-01![(2R,3S,4S,5R,6R)-6-[1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate","exact_mass":698.257,"inchikey":"QXXKEARZEYWTST-QLHFFRPFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":716.28949,"smiles":"COC1=C(OC)C=C(\\C=C\\C(=O)OC[C@H]2O[C@@H](OC(CCC3=CC(O)=C(O)C=C3)CC(=O)CCC4=CC=C(O)C(O)=C4)[C@H](O)[C@@H](O)[C@@H]2O)C=C1","spectrum_id":"CCMSLIB00000845859","spectrum_index":427},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380674-01![5-(5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-[6-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,6-dihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenyl]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3-hydroxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":1032.35,"inchikey":"RMVGZKPTURZUMZ-MHWRWJLKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1033.350098,"smiles":"CC1OC(OC2C(C)OC(OC3C(C)OC(C(O)C3O)C4=C(O)C=C(OC5OC(CO)C(O)C5O)C(C(=O)CCC6=CC=C(O)C=C6)=C4O)C(O)C2OC(=O)\\C=C\\C7=CC=C(O)C=C7)C(O)C(O)C1OC(C)=O","spectrum_id":"CCMSLIB00000845861","spectrum_index":428},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380674-01![5-(5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-[6-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,6-dihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenyl]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3-hydroxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":1032.35,"inchikey":"RMVGZKPTURZUMZ-MHWRWJLKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1050.375854,"smiles":"CC1OC(OC2C(C)OC(OC3C(C)OC(C(O)C3O)C4=C(O)C=C(OC5OC(CO)C(O)C5O)C(C(=O)CCC6=CC=C(O)C=C6)=C4O)C(O)C2OC(=O)\\C=C\\C7=CC=C(O)C=C7)C(O)C(O)C1OC(C)=O","spectrum_id":"CCMSLIB00000845863","spectrum_index":429},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381044-01!3,6-diphenylcyclohexane-1,2-diol","exact_mass":268.146,"inchikey":"KIDYUEHQXIEBGK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.177124,"smiles":"OC1C(O)C(CCC1C2=CC=CC=C2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000845865","spectrum_index":430},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381050-01!7-(5,7-dimethoxy-4-oxochromen-2-yl)-6-hydroxyheptanoic acid","exact_mass":350.137,"inchikey":"CRHUZHVITSVUHQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.140137,"smiles":"COC1=CC(OC)=C2C(=O)C=C(CC(O)CCCCC(O)=O)OC2=C1","spectrum_id":"CCMSLIB00000845870","spectrum_index":431},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347810-02![5-formyl-4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate","exact_mass":426.189,"inchikey":"KCSPYQSCNFOIII-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.192352,"smiles":"COC(=O)C(=C)C1C(O)C2C(CCC(O)C2(C)CC1OC(=O)C(=C)C(O)CO)C=O","spectrum_id":"CCMSLIB00000845872","spectrum_index":432},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347810-02![5-formyl-4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate","exact_mass":426.189,"inchikey":"KCSPYQSCNFOIII-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.217712,"smiles":"COC(=O)C(=C)C1C(O)C2C(CCC(O)C2(C)CC1OC(=O)C(=C)C(O)CO)C=O","spectrum_id":"CCMSLIB00000845874","spectrum_index":433},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380996-01![1-(3,4-dimethoxyphenyl)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propyl] acetate","exact_mass":430.199,"inchikey":"SITDJJDXDVFCAP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":448.227448,"smiles":"COC1=CC=C(C=C1OC)C(OC(C)=O)C(C)OC2=C(OC)C=C(CC=C)C=C2OC","spectrum_id":"CCMSLIB00000845876","spectrum_index":434},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380998-01![3,4-dihydroxy-5-[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxy-2-methylidenebutanoyl)oxymethyl]oxan-2-yl]oxybutanoyl]oxymethyl]oxan-2-yl]oxybutanoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate","exact_mass":880.321,"inchikey":"AEUAVVIPDJTEFS-YJCYQKNWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":881.317139,"smiles":"OCCC(=C)C(=O)OCC1OCC(OC(=O)C(=C)CCO[C@@H]2O[C@H](COC(=O)C(=C)CCO[C@@H]3O[C@H](COC(=O)C(=C)CCO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C(O)C1O","spectrum_id":"CCMSLIB00000845877","spectrum_index":435},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380998-01![3,4-dihydroxy-5-[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxy-2-methylidenebutanoyl)oxymethyl]oxan-2-yl]oxybutanoyl]oxymethyl]oxan-2-yl]oxybutanoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate","exact_mass":880.321,"inchikey":"AEUAVVIPDJTEFS-YJCYQKNWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":898.343201,"smiles":"OCCC(=C)C(=O)OCC1OCC(OC(=O)C(=C)CCO[C@@H]2O[C@H](COC(=O)C(=C)CCO[C@@H]3O[C@H](COC(=O)C(=C)CCO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C(O)C1O","spectrum_id":"CCMSLIB00000845880","spectrum_index":436},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381054-01!(2E,4E)-12-[(10E,12E)-13-carboxy-3-[(2E,4E)-13-carboxy-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoyl]oxy-2-(hydroxymethyl)-8,10,12-trimethyltrideca-10,12-dienoyl]oxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid","exact_mass":990.592,"inchikey":"PQTARGHEXNJCRK-MOHXMFTGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":991.58606,"smiles":"CC(CCCCC(O)C(CO)C(O)=O)C\\C(C)=C\\C(C)=C\\C(=O)OC(CCCCC(C)C\\C(C)=C\\C(C)=C\\C(O)=O)C(CO)C(=O)OC(CCCCC(C)C\\C(C)=C\\C(C)=C\\C(O)=O)C(CO)C(O)=O","spectrum_id":"CCMSLIB00000845881","spectrum_index":437},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381054-01!(2E,4E)-12-[(10E,12E)-13-carboxy-3-[(2E,4E)-13-carboxy-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoyl]oxy-2-(hydroxymethyl)-8,10,12-trimethyltrideca-10,12-dienoyl]oxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid","exact_mass":990.592,"inchikey":"PQTARGHEXNJCRK-MOHXMFTGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1008.612122,"smiles":"CC(CCCCC(O)C(CO)C(O)=O)C\\C(C)=C\\C(C)=C\\C(=O)OC(CCCCC(C)C\\C(C)=C\\C(C)=C\\C(O)=O)C(CO)C(=O)OC(CCCCC(C)C\\C(C)=C\\C(C)=C\\C(O)=O)C(CO)C(O)=O","spectrum_id":"CCMSLIB00000845884","spectrum_index":438},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017351-04!furo[3,2-g]chromen-7-one","exact_mass":186.032,"inchikey":"ZCCUUQDIBDJBTK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":187.039841,"smiles":"O=C1OC2=CC3=C(C=CO3)C=C2C=C1","spectrum_id":"CCMSLIB00000845885","spectrum_index":439},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385698-01!2-(1H-indol-3-yl)propanoic acid","exact_mass":189.079,"inchikey":"WNVIEMRKZPPPOJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":190.087067,"smiles":"CC(C(O)=O)C1=CNC2=CC=CC=C12","spectrum_id":"CCMSLIB00000845887","spectrum_index":440},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180705-02!(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one","exact_mass":280.146,"inchikey":"OUAINJWTDRNZIJ-ACCUITESSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.155457,"smiles":"OC(CCC1=CC=CC=C1)CC(=O)\\C=C\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00000845889","spectrum_index":441},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180705-02!(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one","exact_mass":280.146,"inchikey":"OUAINJWTDRNZIJ-ACCUITESSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.142761,"smiles":"OC(CCC1=CC=CC=C1)CC(=O)\\C=C\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00000845891","spectrum_index":442},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385689-01!2-benzyl-1-methyl-5-nonylpyrrolidin-3-ol","exact_mass":317.272,"inchikey":"GBCXKHLKJHRTAB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.281433,"smiles":"CCCCCCCCCC1CC(O)C(CC2=CC=CC=C2)N1C","spectrum_id":"CCMSLIB00000845894","spectrum_index":443},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385681-01![2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate","exact_mass":378.168,"inchikey":"WPJFTNISWIMPLM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.177612,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(OC(=O)CC(C)C)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00000845895","spectrum_index":444},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385681-01![2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate","exact_mass":378.168,"inchikey":"WPJFTNISWIMPLM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.166504,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(OC(=O)CC(C)C)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00000845897","spectrum_index":445},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385677-01!3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid","exact_mass":392.199,"inchikey":"WHNBKYRXAOMPAE-VSMNQWMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.208252,"smiles":"CC(C)=CCC\\C(C)=C\\CC1=C(O)C=C(\\C=C\\C2=CC=CC=C2)C(C(O)=O)=C1O","spectrum_id":"CCMSLIB00000845900","spectrum_index":446},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180865-02!6-[[4,4,6a,6b,11,11,14b-heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid","exact_mass":1102.56,"inchikey":"UDPVBZZTXOCTNJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1103.560059,"smiles":"CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CCC56C)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)OC(C2O)C(O)=O)C(OC9OC(CO)C(O)C(O)C9O)C(O)C1O","spectrum_id":"CCMSLIB00000845901","spectrum_index":447},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180865-02!6-[[4,4,6a,6b,11,11,14b-heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid","exact_mass":1102.56,"inchikey":"UDPVBZZTXOCTNJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1120.584839,"smiles":"CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CCC56C)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)OC(C2O)C(O)=O)C(OC9OC(CO)C(O)C(O)C9O)C(O)C1O","spectrum_id":"CCMSLIB00000845903","spectrum_index":448},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380081-01!3-(hydroxymethyl)-2-methyl-6-[(E)-pent-3-enyl]-2,3-dihydro-1-benzofuran-4-ol","exact_mass":248.141,"inchikey":"ZBSDHRYEWAUMGA-ONEGZZNKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.148132,"smiles":"C\\C=C\\CCC1=CC(O)=C2C(CO)C(C)OC2=C1","spectrum_id":"CCMSLIB00000845905","spectrum_index":449},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380077-01!2-hydroxy-4-(hydroxymethyl)-6-(1-hydroxy-3-methylbut-2-enyl)-3-[(E)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one","exact_mass":280.131,"inchikey":"FSYVGCMCWALMCX-SNAWJCMRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.127319,"smiles":"C\\C=C\\C1=C(CO)C(=O)C2(OC2C1O)C(O)C=C(C)C","spectrum_id":"CCMSLIB00000845907","spectrum_index":450},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380077-01!2-hydroxy-4-(hydroxymethyl)-6-(1-hydroxy-3-methylbut-2-enyl)-3-[(E)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one","exact_mass":280.131,"inchikey":"FSYVGCMCWALMCX-SNAWJCMRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.164825,"smiles":"C\\C=C\\C1=C(CO)C(=O)C2(OC2C1O)C(O)C=C(C)C","spectrum_id":"CCMSLIB00000845909","spectrum_index":451},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380083-01!(E)-3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one","exact_mass":338.152,"inchikey":"TZHSNGXLLUGMMD-DHZHZOJOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.158539,"smiles":"COC1=CC=C(C=C1)C(=O)\\C=C\\C2=CC(=C(O)C=C2O)C(C)(C)C=C","spectrum_id":"CCMSLIB00000845911","spectrum_index":452},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380078-01!(12S,12aS,12bR)-4,9,12,12b-tetrahydroxy-2,11,12,12a-tetrahydro-1H-perylene-3,10-dione","exact_mass":352.095,"inchikey":"GJIALGLHOBXNAT-KPOBHBOGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.10144,"smiles":"O[C@H]1CC(=O)C2=C(O)C=CC3=C2[C@@H]1[C@]4(O)CCC(=O)C5=C4C3=CC=C5O","spectrum_id":"CCMSLIB00000845913","spectrum_index":453},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384611-01!2-[2,6-dihydroxy-4-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid","exact_mass":550.159,"inchikey":"XYUFCXJZFZPEJD-XMSQKQJNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.164124,"smiles":"OC(=O)C1=CC=CC(O)=C1C(=O)C2=C(O)C=C(C=C2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000845915","spectrum_index":454},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384611-01!2-[2,6-dihydroxy-4-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid","exact_mass":550.159,"inchikey":"XYUFCXJZFZPEJD-XMSQKQJNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":533.15387,"smiles":"OC(=O)C1=CC=CC(O)=C1C(=O)C2=C(O)C=C(C=C2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000845918","spectrum_index":455},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180112-02!2-amino-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoic acid","exact_mass":249.136,"inchikey":"UFFPHPAGEHMRFF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":250.146194,"smiles":"CC(C)=CCC1=C(O)C=CC(CC(N)C(O)=O)=C1","spectrum_id":"CCMSLIB00000845920","spectrum_index":456},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380299-01!3-hydroxy-4-(3-hydroxyphenyl)-1H-quinolin-2-one","exact_mass":253.074,"inchikey":"QIJIOTTYIGBOQA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":254.083298,"smiles":"OC1=CC=CC(=C1)C2=C(O)C(=O)NC3=CC=CC=C23","spectrum_id":"CCMSLIB00000845922","spectrum_index":457},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169550-02!(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide","exact_mass":313.131,"inchikey":"NPNNKDMSXVRADT-WEVVVXLNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.141235,"smiles":"COC1=C(O)C=CC(\\C=C\\C(=O)NCCC2=CC=C(O)C=C2)=C1","spectrum_id":"CCMSLIB00000845924","spectrum_index":458},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00246789-03![3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate","exact_mass":339.168,"inchikey":"UFDHNJJHPSGMFX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.204285,"smiles":"CC1CC(C)(CC(C(O)CC2CC(=O)NC(=O)C2)C1=O)OC(C)=O","spectrum_id":"CCMSLIB00000845926","spectrum_index":459},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380183-01!4-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4-oxobutanoic acid","exact_mass":872.201,"inchikey":"JYNZPXSRTWSMPG-PBKLMPTNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":873.212219,"smiles":"C[C@@H]1O[C@@H](OC2=C(OC3=CC(O[C@@H]4O[C@H](COC(=O)C(CC(O)=O)OC(=O)\\C=C\\C5=CC=C(O)C=C5)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)C6=CC(O)=C(O)C=C6)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845928","spectrum_index":460},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380295-01!2-[2-(3,5-dimethyl-2-oxocyclohexyl)-6-oxooxan-4-yl]acetamide","exact_mass":281.163,"inchikey":"SAVFIMRLAWCZGX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.172821,"smiles":"CC1CC(C)C(=O)C(C1)C2CC(CC(N)=O)CC(=O)O2","spectrum_id":"CCMSLIB00000845929","spectrum_index":461},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380295-01!2-[2-(3,5-dimethyl-2-oxocyclohexyl)-6-oxooxan-4-yl]acetamide","exact_mass":281.163,"inchikey":"SAVFIMRLAWCZGX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.199127,"smiles":"CC1CC(C)C(=O)C(C1)C2CC(CC(N)=O)CC(=O)O2","spectrum_id":"CCMSLIB00000845931","spectrum_index":462},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380218-01!(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol","exact_mass":308.184,"inchikey":"KSQUXZFVIOCIHF-MXNNCRBYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":326.2211,"smiles":"CC(C)CCC(O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845933","spectrum_index":463},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380212-01![3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate","exact_mass":462.21,"inchikey":"JGMROMZJBQKIDK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":480.247192,"smiles":"CC1=C(C(=O)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(C)(C)CCC1","spectrum_id":"CCMSLIB00000845935","spectrum_index":464},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380215-01!","exact_mass":530.361,"inchikey":"XREDRJVZJRMVHB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":513.361145,"smiles":"CCCCCCCCCCCC(=O)OC12CC(C)C3(O)C4C=C(C)C(=O)C4(O)CC(CO)=CC3C1C2(C)C","spectrum_id":"CCMSLIB00000845937","spectrum_index":465},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380216-01!8a-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxycarbonyl-2,3,9-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid","exact_mass":1150.54,"inchikey":"OUZBWJQQLMMOSN-GQIQXOTMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1151.553589,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H]3O[C@@H](OC(=O)C45CCC6(C)C(=CCC7C8(C)CC(O)C(O)C(C)(C8CCC67C)C(O)=O)C4CC(C)(C)CC5O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845940","spectrum_index":466},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00091904-06!4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one","exact_mass":228.079,"inchikey":"DKKJNZYHGRUXBS-BQYQJAHWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.086914,"smiles":"COC1=CC(=O)OC(\\C=C\\C2=CC=CC=C2)=C1","spectrum_id":"CCMSLIB00000845942","spectrum_index":467},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095436-04!6,7,8-trimethoxychromen-2-one","exact_mass":236.068,"inchikey":"RAYQKHLZHPFYEJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.07634,"smiles":"COC1=CC2=C(OC(=O)C=C2)C(OC)=C1OC","spectrum_id":"CCMSLIB00000845944","spectrum_index":468},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095436-04!6,7,8-trimethoxychromen-2-one","exact_mass":236.068,"inchikey":"RAYQKHLZHPFYEJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":254.103241,"smiles":"COC1=CC2=C(OC(=O)C=C2)C(OC)=C1OC","spectrum_id":"CCMSLIB00000845945","spectrum_index":469},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095618-03!5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":302.079,"inchikey":"AIONOLUJZLIMTK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.087708,"smiles":"COC1=CC=C(C=C1O)C2CC(=O)C3=C(O)C=C(O)C=C3O2","spectrum_id":"CCMSLIB00000845947","spectrum_index":470},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384480-01!5,13,15-trihydroxy-9-methyl-10-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione","exact_mass":308.126,"inchikey":"TXFYYWHRTDECTR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.134644,"smiles":"CC1CCCC(O)CC(=O)CC2=CC(O)=CC(O)=C2C(=O)O1","spectrum_id":"CCMSLIB00000845950","spectrum_index":471},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386099-01!","exact_mass":396.121,"inchikey":"JWPAJVNQGTWPMI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.129456,"smiles":"CC(C)(O)CCC1=C2OC3=C(C(=O)C2=C(O)C=C1)C(O)=C4C5C=COC5OC4=C3","spectrum_id":"CCMSLIB00000845952","spectrum_index":472},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386086-01![9-[(E)-3-acetyloxy-4-methylhex-4-en-2-yl]-12-hydroxy-3-(2-hydroxypropan-2-yl)-10-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-1-yl] acetate","exact_mass":618.304,"inchikey":"SOJLUKNFWGXUFS-RVDMUPIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":619.312378,"smiles":"COC1=C(C(C)C(OC(C)=O)C(\\C)=C\\C)C(=O)C2=C(C(O)C3C(C)(CCC4OC(CC(OC(C)=O)C34C)C(C)(C)O)O2)C1=O","spectrum_id":"CCMSLIB00000845954","spectrum_index":473},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386086-01![9-[(E)-3-acetyloxy-4-methylhex-4-en-2-yl]-12-hydroxy-3-(2-hydroxypropan-2-yl)-10-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-1-yl] acetate","exact_mass":618.304,"inchikey":"SOJLUKNFWGXUFS-RVDMUPIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":601.301636,"smiles":"COC1=C(C(C)C(OC(C)=O)C(\\C)=C\\C)C(=O)C2=C(C(O)C3C(C)(CCC4OC(CC(OC(C)=O)C34C)C(C)(C)O)O2)C1=O","spectrum_id":"CCMSLIB00000845956","spectrum_index":474},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386086-01![9-[(E)-3-acetyloxy-4-methylhex-4-en-2-yl]-12-hydroxy-3-(2-hydroxypropan-2-yl)-10-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-1-yl] acetate","exact_mass":618.304,"inchikey":"SOJLUKNFWGXUFS-RVDMUPIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":636.338867,"smiles":"COC1=C(C(C)C(OC(C)=O)C(\\C)=C\\C)C(=O)C2=C(C(O)C3C(C)(CCC4OC(CC(OC(C)=O)C34C)C(C)(C)O)O2)C1=O","spectrum_id":"CCMSLIB00000845958","spectrum_index":475},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180410-02!3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","exact_mass":742.196,"inchikey":"KZJQLAODESHSCC-LCGCZILPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":743.202698,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C3=O)C(O)=CC(O)=C4)C5=CC(O)=C(O)C=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000845960","spectrum_index":476},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015420-11!1,3,8-trihydroxy-6-methylanthracene-9,10-dione","exact_mass":270.053,"inchikey":"RHMXXJGYXNZAPX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.058777,"smiles":"CC1=CC2=C(C(O)=C1)C(=O)C3=C(C=C(O)C=C3O)C2=O","spectrum_id":"CCMSLIB00000845961","spectrum_index":477},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00321441-02!7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one","exact_mass":382.214,"inchikey":"MCTDXPDDZLFJHR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.220184,"smiles":"CC1=CCC2C(C)(C)C(O)CCC2(C)C1COC3=CC=C4C=CC(=O)OC4=C3","spectrum_id":"CCMSLIB00000845963","spectrum_index":478},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00321441-02!7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one","exact_mass":382.214,"inchikey":"MCTDXPDDZLFJHR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.209961,"smiles":"CC1=CCC2C(C)(C)C(O)CCC2(C)C1COC3=CC=C4C=CC(=O)OC4=C3","spectrum_id":"CCMSLIB00000845965","spectrum_index":479},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00321441-02!7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one","exact_mass":382.214,"inchikey":"MCTDXPDDZLFJHR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.24646,"smiles":"CC1=CCC2C(C)(C)C(O)CCC2(C)C1COC3=CC=C4C=CC(=O)OC4=C3","spectrum_id":"CCMSLIB00000845968","spectrum_index":480},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00025125-21!N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide","exact_mass":399.168,"inchikey":"IAKHMKGGTNLKSZ-INIZCTEOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.174042,"smiles":"COC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1","spectrum_id":"CCMSLIB00000845970","spectrum_index":481},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00025125-21!N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide","exact_mass":399.168,"inchikey":"IAKHMKGGTNLKSZ-INIZCTEOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":422.156219,"smiles":"COC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1","spectrum_id":"CCMSLIB00000845972","spectrum_index":482},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179791-03!1,7-bis(4-hydroxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one","exact_mass":476.205,"inchikey":"PVPDIJGSCANSAG-SRJJTFDTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":494.236633,"smiles":"OC[C@H]1O[C@@H](OC(CCC2=CC=C(O)C=C2)CC(=O)CCC3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000845973","spectrum_index":483},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163378-03!","exact_mass":504.085,"inchikey":"BTXNYTINYBABQR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":505.089294,"smiles":"CC1=C2C3=C(C)C=C(O)C4=C3C5=C6C2=C(C(O)=C1)C(=O)C7=C6C(=C(O)C=C7O)C8=C5C(C4=O)=C(O)C=C8O","spectrum_id":"CCMSLIB00000845978","spectrum_index":484},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347505-02!","exact_mass":546.273,"inchikey":"FOAPBJMMOXYHAN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":547.27771,"smiles":"COC1=CC=C(C=C1OC)C23CCNC2CC45OC6(O)CC7N4CCC7(C(C6)C5=C3)C8=CC=C(OC)C(OC)=C8","spectrum_id":"CCMSLIB00000845979","spectrum_index":485},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347505-02!","exact_mass":546.273,"inchikey":"FOAPBJMMOXYHAN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":529.266846,"smiles":"COC1=CC=C(C=C1OC)C23CCNC2CC45OC6(O)CC7N4CCC7(C(C6)C5=C3)C8=CC=C(OC)C(OC)=C8","spectrum_id":"CCMSLIB00000845982","spectrum_index":486},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347505-02!","exact_mass":546.273,"inchikey":"FOAPBJMMOXYHAN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":588.30249,"smiles":"COC1=CC=C(C=C1OC)C23CCNC2CC45OC6(O)CC7N4CCC7(C(C6)C5=C3)C8=CC=C(OC)C(OC)=C8","spectrum_id":"CCMSLIB00000845984","spectrum_index":487},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179813-02!1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid","exact_mass":198.089,"inchikey":"KPWKPGFLZGMMFX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.123505,"smiles":"CC1(C)C2(C)CCC1(OC2=O)C(O)=O","spectrum_id":"CCMSLIB00000845985","spectrum_index":488},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385936-01!4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid","exact_mass":206.094,"inchikey":"LBSJJNAMGVDGCU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":207.102417,"smiles":"CC(C)=CCC1=C(O)C=CC(=C1)C(O)=O","spectrum_id":"CCMSLIB00000845988","spectrum_index":489},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385931-01!(8,8-dimethyl-2,10-dioxo-9H-pyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate","exact_mass":342.11,"inchikey":"PGOMXBOHQUBUMI-YHYXMXQVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":360.145538,"smiles":"C\\C=C(\\C)C(=O)OC1C(=O)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00000845989","spectrum_index":490},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380389-01!8-acetamido-2-methyl-7-oxononanoic acid","exact_mass":243.147,"inchikey":"UALLEVOGEQZKSX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.155075,"smiles":"CC(CCCCC(=O)C(C)NC(C)=O)C(O)=O","spectrum_id":"CCMSLIB00000845991","spectrum_index":491},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347817-02!1,5-dihydroxy-2,3-dimethoxy-10-methylacridin-9-one","exact_mass":301.095,"inchikey":"WUPPOLDDVHCHKK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.102966,"smiles":"COC1=CC2=C(C(=O)C3=CC=CC(O)=C3N2C)C(O)=C1OC","spectrum_id":"CCMSLIB00000845993","spectrum_index":492},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380248-01![2-(7-methoxy-2-oxochromen-8-yl)-4-methylideneoxolan-3-yl] 3-methylbutanoate","exact_mass":358.142,"inchikey":"YUGLDRNZSJJFIK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.149689,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C3OCC(=C)C3OC(=O)CC(C)C","spectrum_id":"CCMSLIB00000845996","spectrum_index":493},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380248-01![2-(7-methoxy-2-oxochromen-8-yl)-4-methylideneoxolan-3-yl] 3-methylbutanoate","exact_mass":358.142,"inchikey":"YUGLDRNZSJJFIK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.176453,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C3OCC(=C)C3OC(=O)CC(C)C","spectrum_id":"CCMSLIB00000845998","spectrum_index":494},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380388-01!","exact_mass":477.263,"inchikey":"LRIXRCMMIFKCDB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":478.271149,"smiles":"CC1CCN2CC34CC5(C(=O)NC6=C5C=CC7=C6C(=O)CC(C)(C)O7)C(C)(C)C3CC12C(=O)N4C","spectrum_id":"CCMSLIB00000845999","spectrum_index":495},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247490-02!(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid","exact_mass":194.058,"inchikey":"QURCVMIEKCOAJU-HWKANZROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":195.066742,"smiles":"COC1=C(O)C=C(\\C=C\\C(O)=O)C=C1","spectrum_id":"CCMSLIB00000846001","spectrum_index":496},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169737-02!6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one","exact_mass":254.094,"inchikey":"FYCCCUNGXGKNJV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.103882,"smiles":"CC(C)(C=C)C1=CC2=C(OC1=O)C=C3OC=CC3=C2","spectrum_id":"CCMSLIB00000846004","spectrum_index":497},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180735-02!5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":286.084,"inchikey":"QUAPPCXFYKSDSV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.094116,"smiles":"COC1=C(O)C2=C(OC(CC2=O)C3=CC=CC=C3)C=C1O","spectrum_id":"CCMSLIB00000846005","spectrum_index":498},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384646-01!(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one","exact_mass":310.157,"inchikey":"NJVADEFPOCMONF-LGTGAQBVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.166992,"smiles":"CC(C)=CC1C[C@](C)(C=C)C2=C(O1)C3=C(C)C=CC=C3OC2=O","spectrum_id":"CCMSLIB00000846008","spectrum_index":499},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384527-01!2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","exact_mass":478.111,"inchikey":"PTUBUBVQXWVBPI-QJCKQCIOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.122803,"smiles":"COC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)=C(OC2=C1O)C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00000846010","spectrum_index":500},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384674-01!8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":538.09,"inchikey":"LADPNODMUXOPRG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":539.101135,"smiles":"OC1=CC=C(C=C1)C2=CC(=O)C3=C(O)C=C(O)C(=C3O2)C4=C5OC(=CC(=O)C5=C(O)C=C4O)C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00000846012","spectrum_index":501},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385960-01!methyl 4,6-dihydroxy-2,3-dimethylbenzoate","exact_mass":196.074,"inchikey":"QCEVKSVMCRLLPS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":197.083191,"smiles":"COC(=O)C1=C(O)C=C(O)C(C)=C1C","spectrum_id":"CCMSLIB00000846013","spectrum_index":502},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385960-01!methyl 4,6-dihydroxy-2,3-dimethylbenzoate","exact_mass":196.074,"inchikey":"QCEVKSVMCRLLPS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":219.06781,"smiles":"COC(=O)C1=C(O)C=C(O)C(C)=C1C","spectrum_id":"CCMSLIB00000846015","spectrum_index":503},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385993-01!6-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one","exact_mass":328.167,"inchikey":"BEFLWKHENQGMGF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.178558,"smiles":"COC1=C(CC2OC2(C)C)C=C3C=C(C(=O)OC3=C1)C(C)(C)C=C","spectrum_id":"CCMSLIB00000846018","spectrum_index":504},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347871-02!(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate","exact_mass":344.126,"inchikey":"QPLSCFLMIOADPA-YHYXMXQVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.136902,"smiles":"C\\C=C(\\C)C(=O)OC1C(O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00000846019","spectrum_index":505},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347871-02!(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate","exact_mass":344.126,"inchikey":"QPLSCFLMIOADPA-YHYXMXQVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.126495,"smiles":"C\\C=C(\\C)C(=O)OC1C(O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00000846021","spectrum_index":506},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347871-02!(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate","exact_mass":344.126,"inchikey":"QPLSCFLMIOADPA-YHYXMXQVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.163605,"smiles":"C\\C=C(\\C)C(=O)OC1C(O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00000846023","spectrum_index":507},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385981-01!6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","exact_mass":492.09,"inchikey":"VVZWHOMBDMMRSC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.102173,"smiles":"COC1=C(O)C=CC(=C1)C2=C(OC3OC(C(O)C(O)C3O)C(O)=O)C(=O)C4=C(O)C=C(O)C=C4O2","spectrum_id":"CCMSLIB00000846026","spectrum_index":508},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385981-01!6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","exact_mass":492.09,"inchikey":"VVZWHOMBDMMRSC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":510.136719,"smiles":"COC1=C(O)C=CC(=C1)C2=C(OC3OC(C(O)C(O)C3O)C(O)=O)C(=O)C4=C(O)C=C(O)C=C4O2","spectrum_id":"CCMSLIB00000846028","spectrum_index":509},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384632-01![(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":624.205,"inchikey":"FNMHEHXNBNCPCI-GCELSKRESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":625.218445,"smiles":"C[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](COC(=O)\\C=C\\C3=CC=C(O)C(O)=C3)O[C@@H](OCCC4=CC=C(O)C(O)=C4)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846029","spectrum_index":510},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384632-01![(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":624.205,"inchikey":"FNMHEHXNBNCPCI-GCELSKRESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":642.244934,"smiles":"C[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](COC(=O)\\C=C\\C3=CC=C(O)C(O)=C3)O[C@@H](OCCC4=CC=C(O)C(O)=C4)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846031","spectrum_index":511},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385831-01!7-hydroxy-3-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)chromen-2-one","exact_mass":298.157,"inchikey":"HEPYYVMIJBDNIM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.164856,"smiles":"CC(C)=CCC1=C(O)C=C2OC(=O)C(=CC2=C1)C(C)(C)C=C","spectrum_id":"CCMSLIB00000846033","spectrum_index":512},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385831-01!7-hydroxy-3-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)chromen-2-one","exact_mass":298.157,"inchikey":"HEPYYVMIJBDNIM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.191895,"smiles":"CC(C)=CCC1=C(O)C=C2OC(=O)C(=CC2=C1)C(C)(C)C=C","spectrum_id":"CCMSLIB00000846036","spectrum_index":513},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385819-01!5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one","exact_mass":344.09,"inchikey":"KQFUXLQBMQGNRT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.097809,"smiles":"COC1=CC(O)=C2C(=O)C(OC)=C(OC2=C1)C3=CC(OC)=C(O)C=C3","spectrum_id":"CCMSLIB00000846039","spectrum_index":514},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385820-01!5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one","exact_mass":448.101,"inchikey":"UHNXUSWGOJMEFO-QNDFHXLGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.109161,"smiles":"OC[C@H]1O[C@@H](OC2=C(O)C=C(C=C2)C3=CC(=O)C4=C(O)C=C(O)C=C4O3)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000846041","spectrum_index":515},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385836-01!3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid","exact_mass":550.096,"inchikey":"NBQPHANHNTWDML-UJKBSQBPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.104187,"smiles":"O[C@H]1[C@H](O)[C@@H](O)[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C=C4)O[C@@H]1COC(=O)CC(O)=O","spectrum_id":"CCMSLIB00000846043","spectrum_index":516},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179907-02!3-(2,5-dihydroxy-6-methyl-3-propan-2-ylphenyl)-2-methyl-5-propan-2-ylbenzene-1,4-diol","exact_mass":330.183,"inchikey":"QYNCIWOOLDANTG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.190125,"smiles":"CC(C)C1=CC(O)=C(C)C(=C1O)C2=C(C)C(O)=CC(C(C)C)=C2O","spectrum_id":"CCMSLIB00000846046","spectrum_index":517},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180516-04!2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol","exact_mass":360.157,"inchikey":"DGYASNDHNSXGSL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.153473,"smiles":"COC1=C(O)C=CC(=C1)C2OC(C3=CC(OC)=C(O)C=C3)C(C)(O)C2C","spectrum_id":"CCMSLIB00000846048","spectrum_index":518},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180529-03!(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","exact_mass":639.409,"inchikey":"MIZMDSVSLSIMSC-VYLWARHZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":640.415039,"smiles":"CC(C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000846051","spectrum_index":519},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180529-03!(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","exact_mass":639.409,"inchikey":"MIZMDSVSLSIMSC-VYLWARHZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":657.440674,"smiles":"CC(C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000846054","spectrum_index":520},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180529-03!(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","exact_mass":639.409,"inchikey":"MIZMDSVSLSIMSC-VYLWARHZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":662.396179,"smiles":"CC(C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000846056","spectrum_index":521},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380699-01!","exact_mass":684.408,"inchikey":"RCCBGOMNZWYBTJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":685.434021,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000846057","spectrum_index":522},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380699-01!","exact_mass":684.408,"inchikey":"RCCBGOMNZWYBTJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":667.403748,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000846059","spectrum_index":523},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380699-01!","exact_mass":684.408,"inchikey":"RCCBGOMNZWYBTJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":702.439453,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000846061","spectrum_index":524},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380723-01!(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":742.268,"inchikey":"FFDULTAFAQRACT-XKBSQSBASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":743.272278,"smiles":"COC1=CC(=CC(OC)=C1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3OC[C@H]4[C@@H]3CO[C@@H]4C5=CC(OC)=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(OC)=C5","spectrum_id":"CCMSLIB00000846064","spectrum_index":525},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380723-01!(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":742.268,"inchikey":"FFDULTAFAQRACT-XKBSQSBASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":760.298645,"smiles":"COC1=CC(=CC(OC)=C1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3OC[C@H]4[C@@H]3CO[C@@H]4C5=CC(OC)=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(OC)=C5","spectrum_id":"CCMSLIB00000846065","spectrum_index":526},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169170-02!(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[(2E,6E,10E)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol","exact_mass":1084.53,"inchikey":"NFBYZSYLZUMCFV-JJRRTKJUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1085.529541,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](OC\\C(C)=C\\CC\\C(C)=C\\CC\\C(C)=C\\CCC(C)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846068","spectrum_index":527},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169170-02!(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[(2E,6E,10E)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol","exact_mass":1084.53,"inchikey":"NFBYZSYLZUMCFV-JJRRTKJUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1067.52124,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](OC\\C(C)=C\\CC\\C(C)=C\\CC\\C(C)=C\\CCC(C)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846070","spectrum_index":528},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169170-02!(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[(2E,6E,10E)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol","exact_mass":1084.53,"inchikey":"NFBYZSYLZUMCFV-JJRRTKJUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1102.558228,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](OC\\C(C)=C\\CC\\C(C)=C\\CC\\C(C)=C\\CCC(C)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846072","spectrum_index":529},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169669-03!3-[(2,6-dihydroxy-3,4-dimethylphenyl)methyl]-2,4-dihydroxy-6-methylbenzaldehyde","exact_mass":302.115,"inchikey":"CTJPDNXMUMTMJX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.120667,"smiles":"CC1=C(C)C(O)=C(CC2=C(O)C(C=O)=C(C)C=C2O)C(O)=C1","spectrum_id":"CCMSLIB00000846073","spectrum_index":530},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017391-04!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one","exact_mass":316.058,"inchikey":"WEPBGSIAWZTEJR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.063873,"smiles":"COC1=C(OC2=CC(O)=CC(O)=C2C1=O)C3=CC=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000846075","spectrum_index":531},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180835-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","exact_mass":400.246,"inchikey":"JZCRGJSEBZCNAR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.250977,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00000846078","spectrum_index":532},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180835-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","exact_mass":400.246,"inchikey":"JZCRGJSEBZCNAR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.277283,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00000846079","spectrum_index":533},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180835-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","exact_mass":400.246,"inchikey":"JZCRGJSEBZCNAR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.23349,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00000846081","spectrum_index":534},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385393-01!7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-phenylchromen-4-one","exact_mass":562.169,"inchikey":"IJJFWUJRFABXCN-QVNVHUMTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.172058,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=CC(O)=C4C(=O)C=C(OC4=C3)C5=CC=CC=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846083","spectrum_index":535},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385375-01!8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","exact_mass":580.143,"inchikey":"RQLWDYSEFWBFBP-HFSMFUKASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":581.146057,"smiles":"OC[C@H]1O[C@H]([C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O)C3=C4OC(=CC(=O)C4=C(O)C=C3O)C5=CC(O)=C(O)C=C5","spectrum_id":"CCMSLIB00000846086","spectrum_index":536},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385356-01![(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-6-(hydroxymethyl)oxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":580.158,"inchikey":"BEHIONSZUBFJLA-JKIGBVBOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":581.160828,"smiles":"OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)CC(OC3=C2)C4=CC=C(O)C=C4)[C@H](O)[C@@H](OC(=O)\\C=C\\C5=CC=C(O)C=C5)[C@@H]1O","spectrum_id":"CCMSLIB00000846087","spectrum_index":537},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180593-02!2-[2-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-3,4-bis(3,4-dihydroxyphenyl)cyclobutanecarbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid","exact_mass":720.169,"inchikey":"SUYLTDFWHNXGDX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":738.19696,"smiles":"OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)C2C(C(C2C3=CC(O)=C(O)C=C3)C4=CC(O)=C(O)C=C4)C(=O)OC(CC5=CC(O)=C(O)C=C5)C(O)=O","spectrum_id":"CCMSLIB00000846089","spectrum_index":538},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178406-02!(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enal","exact_mass":222.089,"inchikey":"XDSHNNRBLSBDAP-SNAWJCMRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":223.09552,"smiles":"COC1=CC(\\C=C\\C=O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000846091","spectrum_index":539},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385514-01!3-hydroxy-1,5-diphenylpentan-1-one","exact_mass":254.131,"inchikey":"QJUWGGININGVSC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.137222,"smiles":"OC(CCC1=CC=CC=C1)CC(=O)C2=CC=CC=C2","spectrum_id":"CCMSLIB00000846094","spectrum_index":540},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385523-01!5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxybenzene-1,3-diol","exact_mass":274.084,"inchikey":"BKJYMZRGLINXRP-NSCUHMNNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.090729,"smiles":"COC1=C(O)C=C(\\C=C\\C2=CC(O)=CC(O)=C2)C=C1O","spectrum_id":"CCMSLIB00000846095","spectrum_index":541},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00018199-08!4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid","exact_mass":284.032,"inchikey":"FCDLCPWAQCPTKC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.038239,"smiles":"OC(=O)C1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C1","spectrum_id":"CCMSLIB00000846098","spectrum_index":542},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385482-01!5-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid","exact_mass":299.079,"inchikey":"QGUMNWHANDITDB-FPYGCLRLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.085999,"smiles":"OC(=O)C1=C(NC(=O)\\C=C\\C2=CC=C(O)C=C2)C=CC(O)=C1","spectrum_id":"CCMSLIB00000846100","spectrum_index":543},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385475-01!3-hydroxy-6-(2-methyl-4-oxochromen-5-yl)-5-oxohexanoic acid","exact_mass":304.095,"inchikey":"QFVUWPJXYMYLLE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.10144,"smiles":"CC1=CC(=O)C2=C(CC(=O)CC(O)CC(O)=O)C=CC=C2O1","spectrum_id":"CCMSLIB00000846102","spectrum_index":544},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168946-02!5-hydroxy-2-(4-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","exact_mass":608.174,"inchikey":"OFKKUHQXUNAUKP-CQNMNSRFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.179077,"smiles":"COC1=CC=C(C=C1)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C4=C(O2)C=C(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C4O","spectrum_id":"CCMSLIB00000846103","spectrum_index":545},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168946-02!5-hydroxy-2-(4-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","exact_mass":608.174,"inchikey":"OFKKUHQXUNAUKP-CQNMNSRFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":626.219971,"smiles":"COC1=CC=C(C=C1)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C4=C(O2)C=C(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C4O","spectrum_id":"CCMSLIB00000846106","spectrum_index":546},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168946-02!5-hydroxy-2-(4-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","exact_mass":608.174,"inchikey":"OFKKUHQXUNAUKP-CQNMNSRFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":631.175232,"smiles":"COC1=CC=C(C=C1)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C4=C(O2)C=C(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C4O","spectrum_id":"CCMSLIB00000846107","spectrum_index":547},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168946-02!5-hydroxy-2-(4-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","exact_mass":608.174,"inchikey":"OFKKUHQXUNAUKP-CQNMNSRFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":647.142151,"smiles":"COC1=CC=C(C=C1)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C4=C(O2)C=C(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C4O","spectrum_id":"CCMSLIB00000846110","spectrum_index":548},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385524-01!5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":756.211,"inchikey":"FYJOVKRHRUYSLY-QDSFYBSMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.213867,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846111","spectrum_index":549},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169591-02!(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one","exact_mass":276.173,"inchikey":"OQWKEEOHDMUXEO-BQYQJAHWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.180206,"smiles":"CCCCC\\C=C\\C(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00000846113","spectrum_index":550},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169591-02!(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one","exact_mass":276.173,"inchikey":"OQWKEEOHDMUXEO-BQYQJAHWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":294.206787,"smiles":"CCCCC\\C=C\\C(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00000846116","spectrum_index":551},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163576-03!(2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":286.084,"inchikey":"HMUJXQRRKBLVOO-AWEZNQCLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.092072,"smiles":"COC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(O)C=C(O)C=C3O2","spectrum_id":"CCMSLIB00000846117","spectrum_index":552},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385342-01!3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-7-hydroxychromen-4-one","exact_mass":390.183,"inchikey":"ZBHUUXLHDOUMKM-REZTVBANSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.190796,"smiles":"CC(C)=CCC\\C(C)=C\\CC1=CC(=CC=C1O)C2=COC3=CC(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00000846120","spectrum_index":553},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347584-02!5-chloro-2,4-dihydroxy-3-[(E)-4-hydroxy-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)pent-2-enyl]-6-methylbenzaldehyde","exact_mass":422.186,"inchikey":"XFTFIFNAWKMLKL-WUXMJOGZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.180695,"smiles":"CC1CCC(=O)C(C)C1(C)CC(O)C(\\C)=C\\CC2=C(O)C(Cl)=C(C)C(C=O)=C2O","spectrum_id":"CCMSLIB00000846122","spectrum_index":554},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347584-02!5-chloro-2,4-dihydroxy-3-[(E)-4-hydroxy-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)pent-2-enyl]-6-methylbenzaldehyde","exact_mass":422.186,"inchikey":"XFTFIFNAWKMLKL-WUXMJOGZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.182556,"smiles":"CC1CCC(=O)C(C)C1(C)CC(O)C(\\C)=C\\CC2=C(O)C(Cl)=C(C)C(C=O)=C2O","spectrum_id":"CCMSLIB00000846124","spectrum_index":555},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347584-02!5-chloro-2,4-dihydroxy-3-[(E)-4-hydroxy-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)pent-2-enyl]-6-methylbenzaldehyde","exact_mass":422.186,"inchikey":"XFTFIFNAWKMLKL-WUXMJOGZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":440.220367,"smiles":"CC1CCC(=O)C(C)C1(C)CC(O)C(\\C)=C\\CC2=C(O)C(Cl)=C(C)C(C=O)=C2O","spectrum_id":"CCMSLIB00000846126","spectrum_index":556},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385348-01!7-[3-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(4-methoxyphenyl)chromen-4-one","exact_mass":562.169,"inchikey":"TUUBGLDJKKCMRH-NNNVMGKSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.175354,"smiles":"COC1=CC=C(C=C1)C2=COC3=CC(OC4OC(CO)C(O)C(O)C4O[C@H]5OC[C@](O)(CO)[C@H]5O)=CC=C3C2=O","spectrum_id":"CCMSLIB00000846127","spectrum_index":557},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385338-01!4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","exact_mass":576.184,"inchikey":"PAIASCMUTMHGHU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":594.218567,"smiles":"COC1=CC(=CC(OC)=C1OC)C2C3C(COC3=O)CC4=C(OC5OC(CO)C(O)C(O)C5O)C6=C(OCO6)C=C24","spectrum_id":"CCMSLIB00000846130","spectrum_index":558},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180841-02!(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one","exact_mass":248.105,"inchikey":"VJCNEDVMYQCMBK-SMDDNHRTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.112259,"smiles":"COC1=CC(=O)O[C@@H](CCC2=CC=CC=C2)[C@H]1O","spectrum_id":"CCMSLIB00000846131","spectrum_index":559},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180841-02!(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one","exact_mass":248.105,"inchikey":"VJCNEDVMYQCMBK-SMDDNHRTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":266.138947,"smiles":"COC1=CC(=O)O[C@@H](CCC2=CC=CC=C2)[C@H]1O","spectrum_id":"CCMSLIB00000846133","spectrum_index":560},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168885-02!5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one","exact_mass":286.084,"inchikey":"DJOJDHGQRNZXQQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.091858,"smiles":"COC1=CC2=C(C(=O)CC(O2)C3=CC=C(O)C=C3)C(O)=C1","spectrum_id":"CCMSLIB00000846135","spectrum_index":561},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386042-01!8-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":370.09,"inchikey":"RVWWDDKOKZXKCJ-ZOLYHUHESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.097687,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C3OC(=O)C=CC3=C1","spectrum_id":"CCMSLIB00000846138","spectrum_index":562},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386042-01!8-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":370.09,"inchikey":"RVWWDDKOKZXKCJ-ZOLYHUHESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":388.123566,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C3OC(=O)C=CC3=C1","spectrum_id":"CCMSLIB00000846140","spectrum_index":563},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180139-02!3-(6-methoxy-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-f]chromen-4-one","exact_mass":378.11,"inchikey":"WITLAWYGGVAFLU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.118347,"smiles":"COC1=C(C=C2OCOC2=C1)C3=COC4=C(C=CC5=C4C=CC(C)(C)O5)C3=O","spectrum_id":"CCMSLIB00000846141","spectrum_index":564},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386038-01!(E)-1-[3-[(2,3-dihydroxyphenyl)methyl]-2,4-dihydroxy-6-methoxyphenyl]-3-phenylprop-2-en-1-one","exact_mass":392.126,"inchikey":"WEHFIEZHFRETHH-ZHACJKMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.133728,"smiles":"COC1=C(C(=O)\\C=C\\C2=CC=CC=C2)C(O)=C(CC3=CC=CC(O)=C3O)C(O)=C1","spectrum_id":"CCMSLIB00000846143","spectrum_index":565},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347809-02!8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one","exact_mass":408.142,"inchikey":"UCJHITBUIWHISE-GMMZNBDUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.149841,"smiles":"CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2CC3=C(O2)C=CC4=C3OC(=O)C=C4","spectrum_id":"CCMSLIB00000846145","spectrum_index":566},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347809-02!8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one","exact_mass":408.142,"inchikey":"UCJHITBUIWHISE-GMMZNBDUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":426.175507,"smiles":"CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2CC3=C(O2)C=CC4=C3OC(=O)C=C4","spectrum_id":"CCMSLIB00000846147","spectrum_index":567},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385215-01!","exact_mass":426.131,"inchikey":"OFLCPNIRDVOOEZ-WZONZLPQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.139679,"smiles":"COC1=CC2=C(C=C1OC)[C@@]3(O)[C@@H](CO2)OC4=C(C(O)=CC5=C4C=CC(C)(C)O5)C3=O","spectrum_id":"CCMSLIB00000846149","spectrum_index":568},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385215-01!","exact_mass":426.131,"inchikey":"OFLCPNIRDVOOEZ-WZONZLPQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.128876,"smiles":"COC1=CC2=C(C=C1OC)[C@@]3(O)[C@@H](CO2)OC4=C(C(O)=CC5=C4C=CC(C)(C)O5)C3=O","spectrum_id":"CCMSLIB00000846151","spectrum_index":569},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385215-01!","exact_mass":426.131,"inchikey":"OFLCPNIRDVOOEZ-WZONZLPQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.111847,"smiles":"COC1=CC2=C(C=C1OC)[C@@]3(O)[C@@H](CO2)OC4=C(C(O)=CC5=C4C=CC(C)(C)O5)C3=O","spectrum_id":"CCMSLIB00000846153","spectrum_index":570},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179752-02!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":594.158,"inchikey":"RTATXGUCZHCSNG-QHWHWDPRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.165222,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C3=O)C(O)=CC(O)=C4)C5=CC=C(O)C=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846155","spectrum_index":571},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384991-01!(3R,5S)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid","exact_mass":354.095,"inchikey":"GYFFKZTYYAFCTR-BKRVHWFXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.10318,"smiles":"O[C@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)C(O)=O","spectrum_id":"CCMSLIB00000846158","spectrum_index":572},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385004-01!5-hydroxy-8,8-dimethyl-6-(2-methylbutanoyl)-4-phenylpyrano[2,3-h]chromen-2-one","exact_mass":404.162,"inchikey":"YJSXHUXXMDAOCE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.170593,"smiles":"CCC(C)C(=O)C1=C2OC(C)(C)C=CC2=C3OC(=O)C=C(C4=CC=CC=C4)C3=C1O","spectrum_id":"CCMSLIB00000846160","spectrum_index":573},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180681-02!(1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid","exact_mass":516.127,"inchikey":"UFCLZKMFXSILNL-RVXRWRFUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.134338,"smiles":"O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)[C@H]1OC(=O)\\C=C\\C3=CC(O)=C(O)C=C3)C(O)=O","spectrum_id":"CCMSLIB00000846161","spectrum_index":574},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180681-02!(1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid","exact_mass":516.127,"inchikey":"UFCLZKMFXSILNL-RVXRWRFUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":534.160461,"smiles":"O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)[C@H]1OC(=O)\\C=C\\C3=CC(O)=C(O)C=C3)C(O)=O","spectrum_id":"CCMSLIB00000846164","spectrum_index":575},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384990-01!(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid","exact_mass":560.153,"inchikey":"BEDSGEULUAVXQH-YGCGHWCOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.160217,"smiles":"COC1=CC(\\C=C\\C(=O)O[C@@H]2[C@H](O)C[C@](O)(C[C@H]2OC(=O)\\C=C\\C3=CC=C(O)C(O)=C3)C(O)=O)=CC(OC)=C1O","spectrum_id":"CCMSLIB00000846166","spectrum_index":576},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384986-01!1-hydroxy-2-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione","exact_mass":564.148,"inchikey":"NVKNRXOMCYTFJF-WFLOGZPDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.154846,"smiles":"OCC1=C(O)C2=C(C=C1O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C5=CC=CC=C5C2=O","spectrum_id":"CCMSLIB00000846167","spectrum_index":577},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384986-01!1-hydroxy-2-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione","exact_mass":564.148,"inchikey":"NVKNRXOMCYTFJF-WFLOGZPDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":547.14447,"smiles":"OCC1=C(O)C2=C(C=C1O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C5=CC=CC=C5C2=O","spectrum_id":"CCMSLIB00000846170","spectrum_index":578},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384986-01!1-hydroxy-2-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione","exact_mass":564.148,"inchikey":"NVKNRXOMCYTFJF-WFLOGZPDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":582.181396,"smiles":"OCC1=C(O)C2=C(C=C1O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C5=CC=CC=C5C2=O","spectrum_id":"CCMSLIB00000846171","spectrum_index":579},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385005-01!","exact_mass":750.325,"inchikey":"CUCNRHYDISBEQH-BNAQAYEJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":751.331909,"smiles":"CCCCCC(=O)O[C@H]1C[C@@H](C)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(C)=O)[C@@H](OC(=O)C4=CC=CC=C4)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@H]1OC(=O)C5=CC=CC=C5","spectrum_id":"CCMSLIB00000846174","spectrum_index":580},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385005-01!","exact_mass":750.325,"inchikey":"CUCNRHYDISBEQH-BNAQAYEJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":768.358765,"smiles":"CCCCCC(=O)O[C@H]1C[C@@H](C)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(C)=O)[C@@H](OC(=O)C4=CC=CC=C4)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@H]1OC(=O)C5=CC=CC=C5","spectrum_id":"CCMSLIB00000846176","spectrum_index":581},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180762-02!2-(4,5-dihydroxy-2-methylphenyl)-6-hydroxy-4-methoxybenzoic acid","exact_mass":290.079,"inchikey":"ADPBTBPPIIKLEH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.084656,"smiles":"COC1=CC(C2=C(C)C=C(O)C(O)=C2)=C(C(O)=O)C(O)=C1","spectrum_id":"CCMSLIB00000846178","spectrum_index":582},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169879-02!2-hydroxy-6-[2-hydroxy-6-(hydroxymethyl)-4-methoxyphenoxy]-4-methylbenzoic acid","exact_mass":320.09,"inchikey":"ULPVIBVOKQAXJB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.094177,"smiles":"COC1=CC(CO)=C(OC2=C(C(O)=O)C(O)=CC(C)=C2)C(O)=C1","spectrum_id":"CCMSLIB00000846179","spectrum_index":583},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169879-02!2-hydroxy-6-[2-hydroxy-6-(hydroxymethyl)-4-methoxyphenoxy]-4-methylbenzoic acid","exact_mass":320.09,"inchikey":"ULPVIBVOKQAXJB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.083893,"smiles":"COC1=CC(CO)=C(OC2=C(C(O)=O)C(O)=CC(C)=C2)C(O)=C1","spectrum_id":"CCMSLIB00000846181","spectrum_index":584},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169698-03!3-hydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","exact_mass":336.1,"inchikey":"XZLGWJORNHETKI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.104675,"smiles":"COC1=C2C(=O)C3=CC=C4CC(C)(O)CC(=O)C4=C3C(=O)C2=CC=C1","spectrum_id":"CCMSLIB00000846183","spectrum_index":585},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169698-03!3-hydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","exact_mass":336.1,"inchikey":"XZLGWJORNHETKI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.09494,"smiles":"COC1=C2C(=O)C3=CC=C4CC(C)(O)CC(=O)C4=C3C(=O)C2=CC=C1","spectrum_id":"CCMSLIB00000846186","spectrum_index":586},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180802-02!","exact_mass":488.205,"inchikey":"UEVWVMGTABEFID-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.207886,"smiles":"COC1=C2CC3C(C)(CC4(O)OCC5(C)OC6(CCC3(C)C45O6)OC)OC2=C(C)C7=C1C(=O)OC7","spectrum_id":"CCMSLIB00000846187","spectrum_index":587},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180802-02!","exact_mass":488.205,"inchikey":"UEVWVMGTABEFID-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.197845,"smiles":"COC1=C2CC3C(C)(CC4(O)OCC5(C)OC6(CCC3(C)C45O6)OC)OC2=C(C)C7=C1C(=O)OC7","spectrum_id":"CCMSLIB00000846189","spectrum_index":588},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347452-02!4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid","exact_mass":566.215,"inchikey":"UULGWGARYDGVBM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":567.221008,"smiles":"COC1=C(C)C(OC(=O)C2=C(C)C(C)=C(OC(=O)C3=C(C)C=C(O)C(C)=C3O)C(C)=C2OC)=C(C)C(C)=C1C(O)=O","spectrum_id":"CCMSLIB00000846191","spectrum_index":589},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347452-02!4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid","exact_mass":566.215,"inchikey":"UULGWGARYDGVBM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":584.244202,"smiles":"COC1=C(C)C(OC(=O)C2=C(C)C(C)=C(OC(=O)C3=C(C)C=C(O)C(C)=C3O)C(C)=C2OC)=C(C)C(C)=C1C(O)=O","spectrum_id":"CCMSLIB00000846193","spectrum_index":590},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384846-01!2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxybutanedioic acid","exact_mass":310.069,"inchikey":"NZLXTWAEDURRNL-HWKANZROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":328.10318,"smiles":"COC1=C(O)C=CC(\\C=C\\C(=O)OC(CC(O)=O)C(O)=O)=C1","spectrum_id":"CCMSLIB00000846195","spectrum_index":591},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384872-01!4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene","exact_mass":358.214,"inchikey":"ORQFDHFZSMXRLM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.222015,"smiles":"COC1=CC=C(CC(C)C(C)CC2=CC(OC)=C(OC)C=C2)C=C1OC","spectrum_id":"CCMSLIB00000846197","spectrum_index":592},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384872-01!4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene","exact_mass":358.214,"inchikey":"ORQFDHFZSMXRLM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.24823,"smiles":"COC1=CC=C(CC(C)C(C)CC2=CC(OC)=C(OC)C=C2)C=C1OC","spectrum_id":"CCMSLIB00000846199","spectrum_index":593},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384872-01!4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene","exact_mass":358.214,"inchikey":"ORQFDHFZSMXRLM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.205933,"smiles":"COC1=CC=C(CC(C)C(C)CC2=CC(OC)=C(OC)C=C2)C=C1OC","spectrum_id":"CCMSLIB00000846201","spectrum_index":594},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384872-01!4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene","exact_mass":358.214,"inchikey":"ORQFDHFZSMXRLM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.248077,"smiles":"COC1=CC=C(CC(C)C(C)CC2=CC(OC)=C(OC)C=C2)C=C1OC","spectrum_id":"CCMSLIB00000846203","spectrum_index":595},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384871-01!2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane","exact_mass":372.194,"inchikey":"JLJAVUZBHSLLJL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.201386,"smiles":"COC1=CC=C(C=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C=C3","spectrum_id":"CCMSLIB00000846205","spectrum_index":596},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384871-01!2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane","exact_mass":372.194,"inchikey":"JLJAVUZBHSLLJL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.190979,"smiles":"COC1=CC=C(C=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C=C3","spectrum_id":"CCMSLIB00000846207","spectrum_index":597},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384871-01!2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane","exact_mass":372.194,"inchikey":"JLJAVUZBHSLLJL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":390.227844,"smiles":"COC1=CC=C(C=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C=C3","spectrum_id":"CCMSLIB00000846209","spectrum_index":598},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384856-01![(E,2R)-5-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-3-en-2-yl] 3-methylbutanoate","exact_mass":506.244,"inchikey":"CJUHWKPMXGYAGR-CVGSNDQKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":524.276428,"smiles":"CC(C)CC(=O)O[C@H](C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)C(\\C)=C\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00000846211","spectrum_index":599},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384863-01![(E)-3-[4-[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":698.236,"inchikey":"IKHAPHPJWABCCU-WGSZPKJISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":716.270386,"smiles":"COC1=CC(=CC=C1O)C(O)C(COC(=O)\\C=C\\C2=CC=C(O)C=C2)OC3=C(OC)C=C(\\C=C\\COC(=O)\\C=C\\C4=CC=C(O)C=C4)C=C3OC","spectrum_id":"CCMSLIB00000846213","spectrum_index":600},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384896-01!3-[6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(11-methyltridecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide","exact_mass":1084.59,"inchikey":"SYWSRNVDWIDEAD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1085.597412,"smiles":"CCC(C)CCCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)N3CCCC3C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N1","spectrum_id":"CCMSLIB00000846215","spectrum_index":601},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384896-01!3-[6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(11-methyltridecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide","exact_mass":1084.59,"inchikey":"SYWSRNVDWIDEAD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1107.576538,"smiles":"CCC(C)CCCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)N3CCCC3C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N1","spectrum_id":"CCMSLIB00000846217","spectrum_index":602},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380142-01!(E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-4-enamide","exact_mass":275.152,"inchikey":"ZECKKAHILSTZLB-HWKANZROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.16098,"smiles":"CC(C)CNC(=O)CC\\C=C\\C1=CC2=C(OCO2)C=C1","spectrum_id":"CCMSLIB00000846219","spectrum_index":603},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169598-02!1,7-bis(4-hydroxyphenyl)heptan-3-one","exact_mass":298.157,"inchikey":"QUHYUSAHBDACNG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.166016,"smiles":"OC1=CC=C(CCCCC(=O)CCC2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00000846221","spectrum_index":604},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169598-02!1,7-bis(4-hydroxyphenyl)heptan-3-one","exact_mass":298.157,"inchikey":"QUHYUSAHBDACNG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.192261,"smiles":"OC1=CC=C(CCCCC(=O)CCC2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00000846223","spectrum_index":605},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane","exact_mass":432.215,"inchikey":"ZPINJJOPURFFNV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.223694,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C(OC)=C3","spectrum_id":"CCMSLIB00000846225","spectrum_index":606},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane","exact_mass":432.215,"inchikey":"ZPINJJOPURFFNV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.213196,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C(OC)=C3","spectrum_id":"CCMSLIB00000846227","spectrum_index":607},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane","exact_mass":432.215,"inchikey":"ZPINJJOPURFFNV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.250793,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C(OC)=C3","spectrum_id":"CCMSLIB00000846229","spectrum_index":608},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380141-01![3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate","exact_mass":490.205,"inchikey":"LFAZJMJJLQUOPK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":508.240509,"smiles":"CC1=C(C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)(C)CC=C1","spectrum_id":"CCMSLIB00000846231","spectrum_index":609},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380551-01!(5Z)-4-(carboxymethyl)-5-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethylidene]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid","exact_mass":552.148,"inchikey":"DIRWTXHNLLFBAL-PJTBNZIESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.15686,"smiles":"OCC1OC(OC2OC=C(C(CC(O)=O)\\C2=C\\COC(=O)\\C=C\\C3=CC=C(O)C=C3)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000846233","spectrum_index":610},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380551-01!(5Z)-4-(carboxymethyl)-5-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethylidene]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid","exact_mass":552.148,"inchikey":"DIRWTXHNLLFBAL-PJTBNZIESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":570.184021,"smiles":"OCC1OC(OC2OC=C(C(CC(O)=O)\\C2=C\\COC(=O)\\C=C\\C3=CC=C(O)C=C3)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000846235","spectrum_index":611},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380140-01!2-[2-[5-[4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-5-hydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol","exact_mass":1036.55,"inchikey":"CEERFMUHIRRAPN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1037.55603,"smiles":"CC1OC(OC2C(O)C(O)C(C)OC2OC3CC(C)C(C)(CCC(C)(OC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4OC6OC(C)C(O)C(O)C6O)C=C)C7CCC=C(C)C37C)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000846237","spectrum_index":612},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380140-01!2-[2-[5-[4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-5-hydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol","exact_mass":1036.55,"inchikey":"CEERFMUHIRRAPN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1019.54303,"smiles":"CC1OC(OC2C(O)C(O)C(C)OC2OC3CC(C)C(C)(CCC(C)(OC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4OC6OC(C)C(O)C(O)C6O)C=C)C7CCC=C(C)C37C)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000846239","spectrum_index":613},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380140-01!2-[2-[5-[4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-5-hydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol","exact_mass":1036.55,"inchikey":"CEERFMUHIRRAPN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1054.57959,"smiles":"CC1OC(OC2C(O)C(O)C(C)OC2OC3CC(C)C(C)(CCC(C)(OC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4OC6OC(C)C(O)C(O)C6O)C=C)C7CCC=C(C)C37C)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000846241","spectrum_index":614},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169428-02!3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","exact_mass":210.137,"inchikey":"SZJNCZMRZAUNQT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":211.144424,"smiles":"CC(C)CC1NC(=O)C2CCCN2C1=O","spectrum_id":"CCMSLIB00000846242","spectrum_index":615},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180523-02!4,8-dihydroxy-7-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one","exact_mass":238.084,"inchikey":"NXSUIALRPVXVTA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.091537,"smiles":"COC1=C(CO)C(O)=C2C(=O)CCC(O)C2=C1","spectrum_id":"CCMSLIB00000846246","spectrum_index":616},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180523-02!4,8-dihydroxy-7-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one","exact_mass":238.084,"inchikey":"NXSUIALRPVXVTA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":221.081177,"smiles":"COC1=C(CO)C(O)=C2C(=O)CCC(O)C2=C1","spectrum_id":"CCMSLIB00000846248","spectrum_index":617},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180653-03!3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one","exact_mass":258.053,"inchikey":"CEBXXEKPIIDJHL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.061157,"smiles":"CC1=C2C(OC(=O)C3=C2C=C(O)C=C3O)=CC(O)=C1","spectrum_id":"CCMSLIB00000846251","spectrum_index":618},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168916-02!6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxypyran-2-one","exact_mass":274.084,"inchikey":"BYHVZDRLSCCTND-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.092011,"smiles":"COC1=CC(=O)OC(CCC2=CC3=C(OCO3)C=C2)=C1","spectrum_id":"CCMSLIB00000846252","spectrum_index":619},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168916-02!6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxypyran-2-one","exact_mass":274.084,"inchikey":"BYHVZDRLSCCTND-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":292.118256,"smiles":"COC1=CC(=O)OC(CCC2=CC3=C(OCO3)C=C2)=C1","spectrum_id":"CCMSLIB00000846255","spectrum_index":620},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180729-02!4-(2,7-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid","exact_mass":282.147,"inchikey":"ISHXRANDGDVGJS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.14325,"smiles":"CC(CO)CCCC(C)(O)C1=C(O)C=C(C=C1)C(O)=O","spectrum_id":"CCMSLIB00000846256","spectrum_index":621},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180729-02!4-(2,7-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid","exact_mass":282.147,"inchikey":"ISHXRANDGDVGJS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.180969,"smiles":"CC(CO)CCCC(C)(O)C1=C(O)C=C(C=C1)C(O)=O","spectrum_id":"CCMSLIB00000846258","spectrum_index":622},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384579-01!7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":324.085,"inchikey":"VPAOSFFTKWUGAD-TVKJYDDYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.092468,"smiles":"OC[C@H]1O[C@@H](OC2=CC=C3C=CC(=O)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000846261","spectrum_index":623},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385686-01!3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one","exact_mass":422.173,"inchikey":"VYELCIXMHUBNAL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.180664,"smiles":"CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OC=C(C(=O)C2=C1O)C3=CC=C(O)C=C3O","spectrum_id":"CCMSLIB00000846262","spectrum_index":624},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178646-02!2,4-dihydroxyheptadecyl acetate","exact_mass":330.277,"inchikey":"ZBVKFVTUHVIICH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.285065,"smiles":"CCCCCCCCCCCCCC(O)CC(O)COC(C)=O","spectrum_id":"CCMSLIB00000846264","spectrum_index":625},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178646-02!2,4-dihydroxyheptadecyl acetate","exact_mass":330.277,"inchikey":"ZBVKFVTUHVIICH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.274536,"smiles":"CCCCCCCCCCCCCC(O)CC(O)COC(C)=O","spectrum_id":"CCMSLIB00000846266","spectrum_index":626},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380634-01!2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol","exact_mass":390.131,"inchikey":"YBVIOLRRXMAGAE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.140381,"smiles":"COC1=C(OC)C(OC)=C2OCC3C(OC4=C3C=C(O)C(OC)=C4OC)C2=C1","spectrum_id":"CCMSLIB00000846269","spectrum_index":627},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380630-01!3,5-dichloro-2-(2,4-dihydroxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid","exact_mass":416.007,"inchikey":"IJSJXKCVRHBPSG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.014404,"smiles":"COC(=O)C1=CC(O)=CC(O)=C1OC2=C(C(O)=O)C(OC)=C(Cl)C(C)=C2Cl","spectrum_id":"CCMSLIB00000846270","spectrum_index":628},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380630-01!3,5-dichloro-2-(2,4-dihydroxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid","exact_mass":416.007,"inchikey":"IJSJXKCVRHBPSG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.040894,"smiles":"COC(=O)C1=CC(O)=CC(O)=C1OC2=C(C(O)=O)C(OC)=C(Cl)C(C)=C2Cl","spectrum_id":"CCMSLIB00000846272","spectrum_index":629},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380629-01!(3R)-4-[6-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-1,5-dihydroxy-9,10-dioxoanthracen-2-yl]-3-hydroxy-3-methylbutanoic acid","exact_mass":486.153,"inchikey":"LKLNNJGYAYDANM-VRSSYPSJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.160431,"smiles":"C[C@H]1O[C@H](C[C@@H](O)[C@@H]1O)C2=CC=C3C(=O)C4=C(C=CC(C[C@@](C)(O)CC(O)=O)=C4O)C(=O)C3=C2O","spectrum_id":"CCMSLIB00000846275","spectrum_index":630},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380629-01!(3R)-4-[6-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-1,5-dihydroxy-9,10-dioxoanthracen-2-yl]-3-hydroxy-3-methylbutanoic acid","exact_mass":486.153,"inchikey":"LKLNNJGYAYDANM-VRSSYPSJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.153625,"smiles":"C[C@H]1O[C@H](C[C@@H](O)[C@@H]1O)C2=CC=C3C(=O)C4=C(C=CC(C[C@@](C)(O)CC(O)=O)=C4O)C(=O)C3=C2O","spectrum_id":"CCMSLIB00000846276","spectrum_index":631},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380635-01![(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate","exact_mass":648.372,"inchikey":"YTRXIFNFFGXRFV-JBAQQFLCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":649.378906,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(=O)CCCCC","spectrum_id":"CCMSLIB00000846278","spectrum_index":632},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380635-01![(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate","exact_mass":648.372,"inchikey":"YTRXIFNFFGXRFV-JBAQQFLCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":666.403931,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(=O)CCCCC","spectrum_id":"CCMSLIB00000846280","spectrum_index":633},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169410-02!7-[6-[[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one","exact_mass":740.216,"inchikey":"VPBGBMLWGOFHSN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":741.223389,"smiles":"CC1OC(OCC2OC(OC3=CC4=C(C(=O)C(=CO4)C5=CC=C(O)C=C5)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000846282","spectrum_index":634},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384700-01!5-(4-methyl-5-oxo-2H-furan-3-yl)pentanoic acid","exact_mass":198.089,"inchikey":"CGUVFWCRUYAIOJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.123734,"smiles":"CC1=C(CCCCC(O)=O)COC1=O","spectrum_id":"CCMSLIB00000846285","spectrum_index":635},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384719-01!2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":316.116,"inchikey":"PQQITYGQJLPDFC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":334.151581,"smiles":"OCC1OC(OCCC2=CC(O)=C(O)C=C2)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000846286","spectrum_index":636},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384702-01!(2Z,6E,10E)-12-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid","exact_mass":320.235,"inchikey":"USXGDFAHMRCBBX-AGZUIYMTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.23288,"smiles":"CC(C)=CCC\\C(=C\\CC\\C(C)=C\\CC\\C(C)=C\\CO)C(O)=O","spectrum_id":"CCMSLIB00000846288","spectrum_index":637},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384725-01![(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] acetate","exact_mass":542.164,"inchikey":"OCZMYDFOSNDPTJ-NOPQWDQOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.172302,"smiles":"COC1=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](OC(C)=O)[C@H]2O)C=C4OC(=O)C=CC4=C1","spectrum_id":"CCMSLIB00000846291","spectrum_index":638},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180706-02!(2R,3R,4S,5S,6R)-2-[[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":582.231,"inchikey":"PACBNJFGEWTGCE-OVYNBQGTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":600.266479,"smiles":"COC1=CC(=CC(OC)=C1O)C2C(CO)C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC4=C2C(OC)=C(O)C(OC)=C4","spectrum_id":"CCMSLIB00000846292","spectrum_index":639},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384714-01!(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol","exact_mass":726.274,"inchikey":"IZSBMDHDBLUZOI-ITDRTIBASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":744.307861,"smiles":"COC1=CC(=CC(OC)=C1O)C2OCC3C2COC3C4=CC(OC)=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(OC)=C4","spectrum_id":"CCMSLIB00000846294","spectrum_index":640},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385040-01!6,8-dihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one","exact_mass":224.068,"inchikey":"VFUAFLPXAQFTLG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":225.080185,"smiles":"COC1=C(O)C2=C(CC(C)OC2=O)C=C1O","spectrum_id":"CCMSLIB00000846296","spectrum_index":641},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095695-03!3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one","exact_mass":258.089,"inchikey":"YQBNJPACAUPNLV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.101318,"smiles":"COC1=C(OC2=C1C=C3C=CC(=O)OC3=C2)C(C)C","spectrum_id":"CCMSLIB00000846299","spectrum_index":642},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095695-03!3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one","exact_mass":258.089,"inchikey":"YQBNJPACAUPNLV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.128479,"smiles":"COC1=C(OC2=C1C=C3C=CC(=O)OC3=C2)C(C)C","spectrum_id":"CCMSLIB00000846301","spectrum_index":643},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180833-02!2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one","exact_mass":258.126,"inchikey":"WAPMVTHIMHEOAB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.137695,"smiles":"COC1=C(C(=O)C2=C(O1)C=CC=C2C)C(C)(C)C=C","spectrum_id":"CCMSLIB00000846302","spectrum_index":644},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095514-04!","exact_mass":284.068,"inchikey":"HUKSJTUUSUGIDC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.08075,"smiles":"OC1=CC=C2C3OC4=C(C=C5OCOC5=C4)C3COC2=C1","spectrum_id":"CCMSLIB00000846304","spectrum_index":645},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385042-01!3-hydroxy-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methoxycarbonylpentanedioic acid","exact_mass":368.074,"inchikey":"WOCSYFBKPNKGJB-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.088104,"smiles":"COC(=O)C(O)(CC(O)=O)C(OC(=O)\\C=C\\C1=CC=C(O)C=C1)C(O)=O","spectrum_id":"CCMSLIB00000846306","spectrum_index":646},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385042-01!3-hydroxy-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methoxycarbonylpentanedioic acid","exact_mass":368.074,"inchikey":"WOCSYFBKPNKGJB-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":386.114655,"smiles":"COC(=O)C(O)(CC(O)=O)C(OC(=O)\\C=C\\C1=CC=C(O)C=C1)C(O)=O","spectrum_id":"CCMSLIB00000846308","spectrum_index":647},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385022-01![3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3,4-dihydroxybenzoate","exact_mass":438.116,"inchikey":"MFOVLHFTNQGRLH-BFMVXSJESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.106567,"smiles":"OC[C@H]1O[C@@H](OC2=C(O)C=C(COC(=O)C3=CC=C(O)C(O)=C3)C=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000846310","spectrum_index":648},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385022-01![3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3,4-dihydroxybenzoate","exact_mass":438.116,"inchikey":"MFOVLHFTNQGRLH-BFMVXSJESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":456.157166,"smiles":"OC[C@H]1O[C@@H](OC2=C(O)C=C(COC(=O)C3=CC=C(O)C(O)=C3)C=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000846312","spectrum_index":649},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385022-01![3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3,4-dihydroxybenzoate","exact_mass":438.116,"inchikey":"MFOVLHFTNQGRLH-BFMVXSJESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.118317,"smiles":"OC[C@H]1O[C@@H](OC2=C(O)C=C(COC(=O)C3=CC=C(O)C(O)=C3)C=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000846314","spectrum_index":650},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385031-01!4-[(2S,3R,4S,5S,6R)-6-[(3,4-dihydroxybenzoyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxybenzoic acid","exact_mass":466.111,"inchikey":"SYXFLGVZXNKIOY-ZIKOTGLESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":484.150848,"smiles":"COC1=CC(=CC=C1O[C@@H]2O[C@H](COC(=O)C3=CC(O)=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)C(O)=O","spectrum_id":"CCMSLIB00000846316","spectrum_index":651},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169665-03!1,3,6-trihydroxy-8-methylxanthen-9-one","exact_mass":258.053,"inchikey":"AQZHBCDRWFMXIN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.060425,"smiles":"CC1=C2C(=O)C3=C(OC2=CC(O)=C1)C=C(O)C=C3O","spectrum_id":"CCMSLIB00000846318","spectrum_index":652},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381290-01!2,3,6,8-tetrahydroxy-1-methylxanthen-9-one","exact_mass":274.048,"inchikey":"YPBXGIBBOZOVPM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.055115,"smiles":"CC1=C2C(=O)C3=C(OC2=CC(O)=C1O)C=C(O)C=C3O","spectrum_id":"CCMSLIB00000846321","spectrum_index":653},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385542-01!3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid","exact_mass":518.106,"inchikey":"FRAUJUKWSKMNJY-RSEYPYQYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.113464,"smiles":"O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=CC(O)=C3C(=O)C(=COC3=C2)C4=CC=C(O)C=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846322","spectrum_index":654},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385539-01!","exact_mass":560.335,"inchikey":"SNFRINMTRPQQLE-CSKYJTDISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.342102,"smiles":"CCCCCCCCCCCC12O[C@@H]3C4C5O[C@]5(CO)[C@@H](O)[C@@]6(O)C(C=C(C)C6=O)[C@@]4(O1)[C@H](C)C[C@@]3(O2)C(C)=C","spectrum_id":"CCMSLIB00000846324","spectrum_index":655},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179823-03![14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate","exact_mass":900.435,"inchikey":"PKZLCDIEFSFXDK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":918.467346,"smiles":"COC1CC(OC2CCC3(C)C(CCC4C3CCC5(C)C(C(CC45O)OC(C)=O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000846326","spectrum_index":656},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180097-02!","exact_mass":900.472,"inchikey":"XUUBSPXZCBAWET-AACVHOIVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":901.470764,"smiles":"C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)O[C@]19CC[C@@](C)(CO)O9","spectrum_id":"CCMSLIB00000846329","spectrum_index":657},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380148-01!6-(2,4-dihydroxy-3,5-dimethylhexyl)-4-hydroxy-3-methylpyran-2-one","exact_mass":270.147,"inchikey":"JQHCHMRMIDGIBW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.155975,"smiles":"CC(C)C(O)C(C)C(O)CC1=CC(O)=C(C)C(=O)O1","spectrum_id":"CCMSLIB00000846330","spectrum_index":658},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347554-02!(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate","exact_mass":384.121,"inchikey":"AWCUZBLYCWUTRL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.13028,"smiles":"OC1C=CC(OC(=O)C2=CC=CC=C2)C(O)C1(O)COC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000846332","spectrum_index":659},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347554-02!(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate","exact_mass":384.121,"inchikey":"AWCUZBLYCWUTRL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.119202,"smiles":"OC1C=CC(OC(=O)C2=CC=CC=C2)C(O)C1(O)COC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000846335","spectrum_index":660},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347554-02!(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate","exact_mass":384.121,"inchikey":"AWCUZBLYCWUTRL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.157135,"smiles":"OC1C=CC(OC(=O)C2=CC=CC=C2)C(O)C1(O)COC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000846337","spectrum_index":661},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380570-01![(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-phenylprop-2-enoate","exact_mass":586.205,"inchikey":"OWWJIYCJJLVSON-DQLSKFBESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":587.213196,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)\\C=C\\C3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](OC(=O)\\C=C\\C4=CC=CC=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846344","spectrum_index":662},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380570-01![(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-phenylprop-2-enoate","exact_mass":586.205,"inchikey":"OWWJIYCJJLVSON-DQLSKFBESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":569.203674,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)\\C=C\\C3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](OC(=O)\\C=C\\C4=CC=CC=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846346","spectrum_index":663},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380570-01![(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-phenylprop-2-enoate","exact_mass":586.205,"inchikey":"OWWJIYCJJLVSON-DQLSKFBESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":604.241943,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)\\C=C\\C3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](OC(=O)\\C=C\\C4=CC=CC=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846348","spectrum_index":664},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180313-02![17-acetyl-8,14,17-trihydroxy-3-[5-[5-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate","exact_mass":1096.55,"inchikey":"ODGKTDLGCWUSEC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1114.582642,"smiles":"COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)C5=CC=CC=C5)C6(C)C(O)(CCC46O)C(C)=O)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7","spectrum_id":"CCMSLIB00000846350","spectrum_index":665},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381373-01!2-hydroxy-4-(4-hydroxyphenyl)butanoic acid","exact_mass":196.074,"inchikey":"NDXWYVRAUFPPEJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":214.106735,"smiles":"OC(CCC1=CC=C(O)C=C1)C(O)=O","spectrum_id":"CCMSLIB00000846352","spectrum_index":666},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381380-01!(2R)-3-hydroxy-2-[(2-hydroxybenzoyl)amino]propanoic acid","exact_mass":225.064,"inchikey":"SAEFXOJAEDXDBM-SSDOTTSWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":226.070587,"smiles":"OC[C@@H](NC(=O)C1=CC=CC=C1O)C(O)=O","spectrum_id":"CCMSLIB00000846354","spectrum_index":667},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381380-01!(2R)-3-hydroxy-2-[(2-hydroxybenzoyl)amino]propanoic acid","exact_mass":225.064,"inchikey":"SAEFXOJAEDXDBM-SSDOTTSWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.097229,"smiles":"OC[C@@H](NC(=O)C1=CC=CC=C1O)C(O)=O","spectrum_id":"CCMSLIB00000846356","spectrum_index":668},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381375-01!(6E)-heptadeca-6,16-diene-1,2,4-triol","exact_mass":284.235,"inchikey":"XGZOTDFONIAWEC-VAWYXSNFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.241821,"smiles":"OCC(O)CC(O)C\\C=C\\CCCCCCCCC=C","spectrum_id":"CCMSLIB00000846358","spectrum_index":669},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385082-01!4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethylfuran-2-yl]-2-methoxyphenol","exact_mass":340.131,"inchikey":"OIXPKFRMEUTHOG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.136902,"smiles":"COC1=CC(=CC=C1O)C2=C(C)C(C)=C(O2)C3=CC(OC)=C(O)C=C3","spectrum_id":"CCMSLIB00000846360","spectrum_index":670},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385077-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":434.121,"inchikey":"OONDLKCAZJZRCW-CTPWMPFQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.126648,"smiles":"O[C@@H]1[C@@H](COC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)O[C@@H](OC3=CC=C(O)C=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846362","spectrum_index":671},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380609-01!4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one","exact_mass":224.068,"inchikey":"MJPSOCVCUXUXLP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":225.074371,"smiles":"COC1=CC(O)=C2C(=O)OC(C)C(O)C2=C1","spectrum_id":"CCMSLIB00000846364","spectrum_index":672},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380608-01!7-chloro-8-hydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one","exact_mass":242.035,"inchikey":"FODMMACJFYQIHT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":243.040573,"smiles":"COC1=C(Cl)C(O)=C2C(=O)OC(C)CC2=C1","spectrum_id":"CCMSLIB00000846368","spectrum_index":673},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380612-01!3,8-dihydroxy-1-methoxy-4-(1,3,4-trihydroxybutan-2-yl)xanthen-9-one","exact_mass":362.1,"inchikey":"WHNAJPFARNBVDZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.105774,"smiles":"COC1=CC(O)=C(C(CO)C(O)CO)C2=C1C(=O)C3=C(O)C=CC=C3O2","spectrum_id":"CCMSLIB00000846370","spectrum_index":674},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179905-02!(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one","exact_mass":396.194,"inchikey":"GGNVSANPVOEGII-GXDHUFHOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.198914,"smiles":"COC1=CC=C(\\C=C\\C(=O)C2=C(OC)C(CC=C(C)C)=C(OC)C=C2OC)C=C1","spectrum_id":"CCMSLIB00000846372","spectrum_index":675},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179905-02!(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one","exact_mass":396.194,"inchikey":"GGNVSANPVOEGII-GXDHUFHOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.180847,"smiles":"COC1=CC=C(\\C=C\\C(=O)C2=C(OC)C(CC=C(C)C)=C(OC)C=C2OC)C=C1","spectrum_id":"CCMSLIB00000846374","spectrum_index":676},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179905-02!(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one","exact_mass":396.194,"inchikey":"GGNVSANPVOEGII-GXDHUFHOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":438.236359,"smiles":"COC1=CC=C(\\C=C\\C(=O)C2=C(OC)C(CC=C(C)C)=C(OC)C=C2OC)C=C1","spectrum_id":"CCMSLIB00000846376","spectrum_index":677},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00164361-03!decanedioic acid","exact_mass":202.121,"inchikey":"CXMXRPHRNRROMY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":203.129837,"smiles":"OC(=O)CCCCCCCCC(O)=O","spectrum_id":"CCMSLIB00000846378","spectrum_index":678},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381109-01!1,3,6,8-tetrahydroxy-2-(methoxymethyl)anthracene-9,10-dione","exact_mass":316.058,"inchikey":"FXFRDTNUZHPKAI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.068695,"smiles":"COCC1=C(O)C2=C(C=C1O)C(=O)C3=CC(O)=CC(O)=C3C2=O","spectrum_id":"CCMSLIB00000846380","spectrum_index":679},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385788-01!3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one","exact_mass":424.189,"inchikey":"LYELCCACUCFABR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.199158,"smiles":"CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OCC(C(=O)C2=C1O)C3=CC=C(O)C=C3O","spectrum_id":"CCMSLIB00000846382","spectrum_index":680},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385788-01!3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one","exact_mass":424.189,"inchikey":"LYELCCACUCFABR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.188995,"smiles":"CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OCC(C(=O)C2=C1O)C3=CC=C(O)C=C3O","spectrum_id":"CCMSLIB00000846384","spectrum_index":681},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169296-02!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid","exact_mass":460.101,"inchikey":"LNOHXHDWGCMVCO-NTKSAMNMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.111572,"smiles":"COC1=C2OC(=CC(=O)C2=C(O)C=C1O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000846386","spectrum_index":682},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone","exact_mass":557.368,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":558.378845,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00000846388","spectrum_index":683},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone","exact_mass":557.368,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.368042,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00000846390","spectrum_index":684},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384746-01!6-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one","exact_mass":346.178,"inchikey":"JMIHHZJRBXJKLS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.186005,"smiles":"COC1=C(CC(O)C(C)(C)O)C=C2C=C(C(=O)OC2=C1)C(C)(C)C=C","spectrum_id":"CCMSLIB00000846392","spectrum_index":685},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384746-01!6-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one","exact_mass":346.178,"inchikey":"JMIHHZJRBXJKLS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.14209,"smiles":"COC1=C(CC(O)C(C)(C)O)C=C2C=C(C(=O)OC2=C1)C(C)(C)C=C","spectrum_id":"CCMSLIB00000846394","spectrum_index":686},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347679-02!5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one","exact_mass":350.128,"inchikey":"ZFOBGKZKFOAYTR-ZYUHXDNHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.136292,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2=CO1","spectrum_id":"CCMSLIB00000846396","spectrum_index":687},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384742-01!3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzaldehyde","exact_mass":360.157,"inchikey":"BOCUVDNZFZFUED-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.165283,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(C=O)C=C2)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000846397","spectrum_index":688},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384742-01!3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzaldehyde","exact_mass":360.157,"inchikey":"BOCUVDNZFZFUED-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.191772,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(C=O)C=C2)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000846399","spectrum_index":689},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384716-01!3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid","exact_mass":516.127,"inchikey":"RDTAGQKYPGLCBK-GOZZSVHWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.134033,"smiles":"COC1=CC=C(C=C1)C2=COC3=CC(O[C@@H]4O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3C2=O","spectrum_id":"CCMSLIB00000846401","spectrum_index":690},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384751-01!5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","exact_mass":594.158,"inchikey":"JYXSWDCPHRTYGU-RVCYDTIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.166199,"smiles":"C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(OC3=C2)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846403","spectrum_index":691},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384752-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one","exact_mass":596.174,"inchikey":"KLDARLGFVGIIIL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":597.182129,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C4OC(CC(=O)C4=C2O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000846405","spectrum_index":692},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169964-06!4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione","exact_mass":281.163,"inchikey":"YPHMISFOHDHNIV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.172638,"smiles":"CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2","spectrum_id":"CCMSLIB00000846407","spectrum_index":693},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169964-06!4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione","exact_mass":281.163,"inchikey":"YPHMISFOHDHNIV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.199371,"smiles":"CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2","spectrum_id":"CCMSLIB00000846409","spectrum_index":694},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384915-01!4-methoxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one","exact_mass":284.105,"inchikey":"ZPLVEUIOSKJIDT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.115082,"smiles":"COC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)C(C)(C)C=C","spectrum_id":"CCMSLIB00000846411","spectrum_index":695},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180756-02!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one","exact_mass":418.09,"inchikey":"RNVUDWOQYYWXBJ-IEGSVRCHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.100891,"smiles":"O[C@H]1CO[C@@H](OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3)C4=CC=C(O)C=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846413","spectrum_index":696},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385098-01![8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate","exact_mass":426.168,"inchikey":"UHWIZIJICYWABA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.205963,"smiles":"CC(C)=CC(=O)OC1C(OC(=O)C=C(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00000846416","spectrum_index":697},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385098-01![8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate","exact_mass":426.168,"inchikey":"UHWIZIJICYWABA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.160492,"smiles":"CC(C)=CC(=O)OC1C(OC(=O)C=C(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00000846417","spectrum_index":698},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384755-01!(3R)-4-[6-[(2S,4aS,5aR,9R,9aR,10aR)-2,9-dimethyl-3-oxo-4,4a,5a,6,7,9,9a,10a-octahydrodipyrano[4,2-a:4',3'-e][1,4]dioxin-7-yl]-1,5-dihydroxy-9,10-dioxoanthracen-2-yl]-3-hydroxy-3-methylbutanoic acid","exact_mass":596.189,"inchikey":"LOVVVDDAKZKPHZ-QZINNKQGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":597.203003,"smiles":"C[C@H]1OC(C[C@H]2O[C@H]3CC(=O)[C@H](C)O[C@H]3O[C@H]12)C4=C(O)C5=C(C=C4)C(=O)C6=C(C=CC(C[C@@](C)(O)CC(O)=O)=C6O)C5=O","spectrum_id":"CCMSLIB00000846420","spectrum_index":699},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168994-02![(2R,3S,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,8-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate","exact_mass":666.18,"inchikey":"NXDNDRJNQJPXGJ-VNXFZGFBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":667.192688,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(O)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](COC(C)=O)[C@@H](O)[C@@H](O)[C@H]5O)C=C3O","spectrum_id":"CCMSLIB00000846422","spectrum_index":700},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179992-02!3-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","exact_mass":788.201,"inchikey":"IQBMWEYFKNVACH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":789.216187,"smiles":"OCC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(O)C(CO)OC3OC4=C(OC5=C(C4=O)C(O)=CC(O)=C5)C6=CC(O)=C(O)C=C6)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000846423","spectrum_index":701},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385330-01!2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid","exact_mass":270.089,"inchikey":"PICDNGANOHNCPT-BQYQJAHWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.096832,"smiles":"COC1=CC(\\C=C\\C2=CC=CC=C2)=C(C(O)=O)C(O)=C1","spectrum_id":"CCMSLIB00000846425","spectrum_index":702},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016467-11!2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","exact_mass":286.048,"inchikey":"IQPNAANSBPBGFQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.055054,"smiles":"OC1=CC2=C(C(=O)C=C(O2)C3=CC(O)=C(O)C=C3)C(O)=C1","spectrum_id":"CCMSLIB00000846428","spectrum_index":703},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385319-01!4-[2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one","exact_mass":466.148,"inchikey":"VCJBNRNRYLKSGX-NUTNSJPXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":467.154724,"smiles":"CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4","spectrum_id":"CCMSLIB00000846429","spectrum_index":704},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385319-01!4-[2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one","exact_mass":466.148,"inchikey":"VCJBNRNRYLKSGX-NUTNSJPXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":484.180634,"smiles":"CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4","spectrum_id":"CCMSLIB00000846431","spectrum_index":705},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169359-04!5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":580.179,"inchikey":"HXTFHSYLYXVTHC-TUURGLJWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":581.18573,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C(=O)CC(O4)C5=CC=C(O)C=C5)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846433","spectrum_index":706},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169359-04!5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":580.179,"inchikey":"HXTFHSYLYXVTHC-TUURGLJWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":598.213562,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C(=O)CC(O4)C5=CC=C(O)C=C5)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846435","spectrum_index":707},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385154-02!4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one","exact_mass":598.19,"inchikey":"WHICJDPSYBJDEN-NQXQTLPHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":599.196777,"smiles":"CC(C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(O)COC3=C4C=CC(=O)OC4=CC5=C3C=CO5","spectrum_id":"CCMSLIB00000846441","spectrum_index":708},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385154-02!4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one","exact_mass":598.19,"inchikey":"WHICJDPSYBJDEN-NQXQTLPHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":616.221802,"smiles":"CC(C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(O)COC3=C4C=CC(=O)OC4=CC5=C3C=CO5","spectrum_id":"CCMSLIB00000846445","spectrum_index":709},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385327-01!(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":610.19,"inchikey":"ARGKVCXINMKCAZ-UZRWAPQLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.196228,"smiles":"COC1=C(O)C=C(C=C1)[C@@H]2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C3O2","spectrum_id":"CCMSLIB00000846453","spectrum_index":710},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015441-12!5-butylpyridine-2-carboxylic acid","exact_mass":179.095,"inchikey":"DGMPVYSXXIOGJY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":180.101181,"smiles":"CCCCC1=CC=C(N=C1)C(O)=O","spectrum_id":"CCMSLIB00000846455","spectrum_index":711},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385522-01!7-hydroxy-6,8-dimethoxychromen-2-one","exact_mass":222.053,"inchikey":"HOEVRHHMDJKUMZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":223.059418,"smiles":"COC1=C(O)C(OC)=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00000846458","spectrum_index":712},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385522-01!7-hydroxy-6,8-dimethoxychromen-2-one","exact_mass":222.053,"inchikey":"HOEVRHHMDJKUMZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":240.085907,"smiles":"COC1=C(O)C(OC)=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00000846459","spectrum_index":713},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169091-02!4-methoxy-6-[2-(4-methoxyphenyl)ethyl]pyran-2-one","exact_mass":260.105,"inchikey":"CZCOHVXNUPVUBC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.111389,"smiles":"COC1=CC=C(CCC2=CC(OC)=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000846461","spectrum_index":714},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169091-02!4-methoxy-6-[2-(4-methoxyphenyl)ethyl]pyran-2-one","exact_mass":260.105,"inchikey":"CZCOHVXNUPVUBC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":278.137848,"smiles":"COC1=CC=C(CCC2=CC(OC)=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000846463","spectrum_index":715},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385489-01!3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid","exact_mass":268.167,"inchikey":"ZIOCYJNRYIRTQD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.174255,"smiles":"CC(C)C(=O)C1(CCC(C)C(=O)C1)C(C)CC(O)=O","spectrum_id":"CCMSLIB00000846465","spectrum_index":716},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385489-01!3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid","exact_mass":268.167,"inchikey":"ZIOCYJNRYIRTQD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.20108,"smiles":"CC(C)C(=O)C1(CCC(C)C(=O)C1)C(C)CC(O)=O","spectrum_id":"CCMSLIB00000846468","spectrum_index":717},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385521-01![1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate","exact_mass":316.131,"inchikey":"MHJLKHNHGMUAPQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.12735,"smiles":"COC1=CC=C(C=C1)C(O)C(C)OC(=O)C2=CC=C(OC)C=C2","spectrum_id":"CCMSLIB00000846469","spectrum_index":718},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347752-02![2-(3'-ethenyl-3',5-dimethyl-2,4,5'-trioxospiro[chromene-3,2'-cyclopentane]-1'-yl)-3-hydroxypropyl] acetate","exact_mass":400.152,"inchikey":"SUDVQVUJMZQNHR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.15863,"smiles":"CC(=O)OCC(CO)C1C(=O)CC(C)(C=C)C12C(=O)OC3=CC=CC(C)=C3C2=O","spectrum_id":"CCMSLIB00000846472","spectrum_index":719},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347752-02![2-(3'-ethenyl-3',5-dimethyl-2,4,5'-trioxospiro[chromene-3,2'-cyclopentane]-1'-yl)-3-hydroxypropyl] acetate","exact_mass":400.152,"inchikey":"SUDVQVUJMZQNHR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.148651,"smiles":"CC(=O)OCC(CO)C1C(=O)CC(C)(C=C)C12C(=O)OC3=CC=CC(C)=C3C2=O","spectrum_id":"CCMSLIB00000846473","spectrum_index":720},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347752-02![2-(3'-ethenyl-3',5-dimethyl-2,4,5'-trioxospiro[chromene-3,2'-cyclopentane]-1'-yl)-3-hydroxypropyl] acetate","exact_mass":400.152,"inchikey":"SUDVQVUJMZQNHR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.184845,"smiles":"CC(=O)OCC(CO)C1C(=O)CC(C)(C=C)C12C(=O)OC3=CC=CC(C)=C3C2=O","spectrum_id":"CCMSLIB00000846476","spectrum_index":721},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380813-01!methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate","exact_mass":203.116,"inchikey":"WDKOBPGTYYAAKJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":204.122391,"smiles":"COC(=O)C(NC(=O)C(C)O)C(C)C","spectrum_id":"CCMSLIB00000846477","spectrum_index":722},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380791-01!methyl 3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydropyrano[4,3-b]chromene-9-carboxylate","exact_mass":322.069,"inchikey":"ASPYFUBXNRBCEV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.074982,"smiles":"COC(=O)C1=C2C(=O)C3=C(CC(C)(O)OC3)OC2=CC(O)=C1O","spectrum_id":"CCMSLIB00000846479","spectrum_index":723},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380791-01!methyl 3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydropyrano[4,3-b]chromene-9-carboxylate","exact_mass":322.069,"inchikey":"ASPYFUBXNRBCEV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.064667,"smiles":"COC(=O)C1=C2C(=O)C3=C(CC(C)(O)OC3)OC2=CC(O)=C1O","spectrum_id":"CCMSLIB00000846481","spectrum_index":724},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380808-01!(6aS)-1,2,11-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10-ol","exact_mass":327.147,"inchikey":"MULATNABYLUECQ-LBPRGKRZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":328.153351,"smiles":"COC1=C(OC)C2=C3[C@H](CC4=CC=C(O)C(OC)=C24)NCCC3=C1","spectrum_id":"CCMSLIB00000846483","spectrum_index":725},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380808-01!(6aS)-1,2,11-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10-ol","exact_mass":327.147,"inchikey":"MULATNABYLUECQ-LBPRGKRZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.106506,"smiles":"COC1=C(OC)C2=C3[C@H](CC4=CC=C(O)C(OC)=C24)NCCC3=C1","spectrum_id":"CCMSLIB00000846486","spectrum_index":726},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380874-01!(3-chloro-2,6-dihydroxy-4-methoxyphenyl)-(4-hydroxy-2-methoxy-6-methylphenyl)methanone","exact_mass":338.056,"inchikey":"DSJPUSRRLBBBAS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.06192,"smiles":"COC1=CC(O)=C(C(=O)C2=C(C)C=C(O)C=C2OC)C(O)=C1Cl","spectrum_id":"CCMSLIB00000846488","spectrum_index":727},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380812-01!3-(4-hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid","exact_mass":434.159,"inchikey":"BMFPATPGMGPSGR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.164551,"smiles":"CC1(C)NC2N(C1=O)C3=CC=CC=C3C2(O)CC(N4C=NC5=C(C=CC=C5)C4=O)C(O)=O","spectrum_id":"CCMSLIB00000846490","spectrum_index":728},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380812-01!3-(4-hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid","exact_mass":434.159,"inchikey":"BMFPATPGMGPSGR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.154449,"smiles":"CC1(C)NC2N(C1=O)C3=CC=CC=C3C2(O)CC(N4C=NC5=C(C=CC=C5)C4=O)C(O)=O","spectrum_id":"CCMSLIB00000846491","spectrum_index":729},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380872-01!(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-3-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxybutanedioic acid","exact_mass":448.101,"inchikey":"YVHLLZXSGPDXOA-ZHBFVYIWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.105682,"smiles":"COC1=C(O)C=C(\\C=C\\C(=O)O[C@H](C(O)=O)[C@](O)(CC2=CC(O)=C(O)C=C2)C(O)=O)C=C1","spectrum_id":"CCMSLIB00000846494","spectrum_index":730},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380872-01!(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-3-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxybutanedioic acid","exact_mass":448.101,"inchikey":"YVHLLZXSGPDXOA-ZHBFVYIWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":466.132263,"smiles":"COC1=C(O)C=C(\\C=C\\C(=O)O[C@H](C(O)=O)[C@](O)(CC2=CC(O)=C(O)C=C2)C(O)=O)C=C1","spectrum_id":"CCMSLIB00000846495","spectrum_index":731},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380799-01!5-[5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid","exact_mass":762.513,"inchikey":"PBYPZVMETKFGQR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":763.52179,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(O)=O","spectrum_id":"CCMSLIB00000846498","spectrum_index":732},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380799-01!5-[5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid","exact_mass":762.513,"inchikey":"PBYPZVMETKFGQR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":745.505981,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(O)=O","spectrum_id":"CCMSLIB00000846500","spectrum_index":733},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380799-01!5-[5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid","exact_mass":762.513,"inchikey":"PBYPZVMETKFGQR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":780.544189,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(O)=O","spectrum_id":"CCMSLIB00000846501","spectrum_index":734},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384658-01!7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one","exact_mass":272.068,"inchikey":"AZYVCLJYWIHOAD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.078247,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C3=C(C)COC3=O","spectrum_id":"CCMSLIB00000846503","spectrum_index":735},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384658-01!7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one","exact_mass":272.068,"inchikey":"AZYVCLJYWIHOAD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":290.104889,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C3=C(C)COC3=O","spectrum_id":"CCMSLIB00000846505","spectrum_index":736},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384518-01!2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one","exact_mass":302.043,"inchikey":"NULZZCUABWZIRV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.053101,"smiles":"OC1=CC(O)=C2C(=O)C(O)=C(OC2=C1)C3=C(O)C=CC=C3O","spectrum_id":"CCMSLIB00000846507","spectrum_index":737},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169087-03![(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate","exact_mass":386.137,"inchikey":"FNVCLGWRMXTDSM-WOJBJXKFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.173889,"smiles":"CC(=O)O[C@H]1[C@@H](OC(=O)C=C(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00000846509","spectrum_index":738},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169087-03![(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate","exact_mass":386.137,"inchikey":"FNVCLGWRMXTDSM-WOJBJXKFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.116852,"smiles":"CC(=O)O[C@H]1[C@@H](OC(=O)C=C(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00000846511","spectrum_index":739},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384517-01!(2S)-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":402.131,"inchikey":"HPMCYOSTTZQBAP-ZRWXNEIDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.142181,"smiles":"OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C[C@H](OC3=C2)C4=CC=CC=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000846513","spectrum_index":740},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169119-03!(9R,10R)-10-hydroxy-8,8-dimethyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dihydropyrano[2,3-f]chromen-2-one","exact_mass":424.137,"inchikey":"QAUDHOGPLBDVAX-GZFODPQLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.137085,"smiles":"CC1(C)OC2=C([C@@H](O)[C@H]1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C4=C(C=CC(=O)O4)C=C2","spectrum_id":"CCMSLIB00000846515","spectrum_index":741},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384516-01!9-methoxy-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one","exact_mass":636.169,"inchikey":"FIMKKXUVGBDUNE-GRSVEZLYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":637.180115,"smiles":"COC1=C2C(=O)C(=COC2=CC3=C1OCO3)C4=CC=C(O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C=C4","spectrum_id":"CCMSLIB00000846517","spectrum_index":742},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347714-02!(2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","exact_mass":705.394,"inchikey":"UXDPXZQHTDAXOZ-CYCMICDFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":706.405212,"smiles":"CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(O)=O)C(O)=O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000846519","spectrum_index":743},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347714-02!(2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","exact_mass":705.394,"inchikey":"UXDPXZQHTDAXOZ-CYCMICDFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":688.393494,"smiles":"CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(O)=O)C(O)=O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000846521","spectrum_index":744},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384519-01!(2S,3R)-5-hydroxy-3-[(2S,3R)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":866.227,"inchikey":"RVPPNKOUWPOQRX-VAVPTQKHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":867.237,"smiles":"OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)[C@@H]([C@H](OC3=C2)C4=CC=C(O)C=C4)[C@@H]5[C@H](OC6=CC(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)=CC(O)=C6C5=O)C8=CC=C(O)C=C8)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000846524","spectrum_index":745},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180087-02!5-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one","exact_mass":230.152,"inchikey":"KWEIJKWXQKCOKC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":248.186035,"smiles":"CCC(C)CCC(O)C1CC(CO)OC1=O","spectrum_id":"CCMSLIB00000846526","spectrum_index":746},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380708-01!dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate","exact_mass":356.126,"inchikey":"OEWCQSJKSNWJTH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.134216,"smiles":"COC(=O)C1C(C(C1C2=CC=C(O)C=C2)C(=O)OC)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000846529","spectrum_index":747},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380708-01!dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate","exact_mass":356.126,"inchikey":"OEWCQSJKSNWJTH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.160461,"smiles":"COC(=O)C1C(C(C1C2=CC=C(O)C=C2)C(=O)OC)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000846531","spectrum_index":748},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169150-03!methyl 3,5-dimethoxy-2-[5-methoxy-4-oxo-6-[(E)-prop-1-enyl]pyran-3-carbonyl]benzoate","exact_mass":388.116,"inchikey":"WGLRJONCGNNMKL-VOTSOKGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.123444,"smiles":"COC(=O)C1=C(C(=O)C2=COC(\\C=C\\C)=C(OC)C2=O)C(OC)=CC(OC)=C1","spectrum_id":"CCMSLIB00000846537","spectrum_index":749},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169150-03!methyl 3,5-dimethoxy-2-[5-methoxy-4-oxo-6-[(E)-prop-1-enyl]pyran-3-carbonyl]benzoate","exact_mass":388.116,"inchikey":"WGLRJONCGNNMKL-VOTSOKGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.105194,"smiles":"COC(=O)C1=C(C(=O)C2=COC(\\C=C\\C)=C(OC)C2=O)C(OC)=CC(OC)=C1","spectrum_id":"CCMSLIB00000846539","spectrum_index":750},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347746-02!1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-6-hydroxy-7-methylidene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid","exact_mass":520.158,"inchikey":"QPNFBUARICHXGG-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.164917,"smiles":"OCC1OC(OC2OC=C(C3CC(O)C(=C)C23)C(O)=O)C(OC(=O)\\C=C\\C4=CC=C(O)C=C4)C(O)C1O","spectrum_id":"CCMSLIB00000846541","spectrum_index":751},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347746-02!1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-6-hydroxy-7-methylidene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid","exact_mass":520.158,"inchikey":"QPNFBUARICHXGG-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":538.192261,"smiles":"OCC1OC(OC2OC=C(C3CC(O)C(=C)C23)C(O)=O)C(OC(=O)\\C=C\\C4=CC=C(O)C=C4)C(O)C1O","spectrum_id":"CCMSLIB00000846543","spectrum_index":752},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385438-01!1-methoxy-3-methyl-9H-carbazole","exact_mass":211.1,"inchikey":"HDETUOZJFUNSKG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":212.107269,"smiles":"COC1=CC(C)=CC2=C1NC3=C2C=CC=C3","spectrum_id":"CCMSLIB00000846545","spectrum_index":753},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169713-02!4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol","exact_mass":244.074,"inchikey":"PDHAOJSHSJQANO-OWOJBTEDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.081116,"smiles":"OC1=CC(O)=C(\\C=C\\C2=CC(O)=CC(O)=C2)C=C1","spectrum_id":"CCMSLIB00000846547","spectrum_index":754},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168873-02!2-(2-methoxyphenyl)chromen-4-one","exact_mass":252.079,"inchikey":"YEHDMSUNJUONMW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.086243,"smiles":"COC1=C(C=CC=C1)C2=CC(=O)C3=C(O2)C=CC=C3","spectrum_id":"CCMSLIB00000846550","spectrum_index":755},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170015-02!4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-6-methylpyran-2-one","exact_mass":264.063,"inchikey":"DVLLGHPCJPEUHA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.070984,"smiles":"CC1=CC(O)=C(CC2=C(O)C=C(C)OC2=O)C(=O)O1","spectrum_id":"CCMSLIB00000846551","spectrum_index":756},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170015-02!4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-6-methylpyran-2-one","exact_mass":264.063,"inchikey":"DVLLGHPCJPEUHA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.053101,"smiles":"CC1=CC(O)=C(CC2=C(O)C=C(C)OC2=O)C(=O)O1","spectrum_id":"CCMSLIB00000846554","spectrum_index":757},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380127-01!5,6-dibenzoyloxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":600.184,"inchikey":"KNKHXYYGNZZSEJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":601.194824,"smiles":"CC1C(OC(=O)C2=CC=CC=C2)C(OC(=O)C3=CC=CC=C3)C4C1C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(O)=O","spectrum_id":"CCMSLIB00000846555","spectrum_index":758},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380127-01!5,6-dibenzoyloxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":600.184,"inchikey":"KNKHXYYGNZZSEJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":618.221252,"smiles":"CC1C(OC(=O)C2=CC=CC=C2)C(OC(=O)C3=CC=CC=C3)C4C1C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(O)=O","spectrum_id":"CCMSLIB00000846557","spectrum_index":759},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380530-01!3-(1,3-benzodioxol-5-yl)-7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dimethoxychromen-4-one","exact_mass":636.169,"inchikey":"LXGTXWCOSLFWKC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":637.178955,"smiles":"COC1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C=C4OC=C(C(=O)C4=C1OC)C5=CC=C6OCOC6=C5","spectrum_id":"CCMSLIB00000846559","spectrum_index":760},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380530-01!3-(1,3-benzodioxol-5-yl)-7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dimethoxychromen-4-one","exact_mass":636.169,"inchikey":"LXGTXWCOSLFWKC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":659.160217,"smiles":"COC1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C=C4OC=C(C(=O)C4=C1OC)C5=CC=C6OCOC6=C5","spectrum_id":"CCMSLIB00000846561","spectrum_index":761},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate","exact_mass":794.43,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.440918,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846563","spectrum_index":762},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate","exact_mass":794.43,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":777.431091,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846566","spectrum_index":763},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate","exact_mass":794.43,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":812.468689,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846567","spectrum_index":764},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate","exact_mass":794.43,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":817.422485,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846570","spectrum_index":765},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380544-01![5-hydroxy-6-[6-[[14-hydroxy-10,13-dimethyl-17-[1-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] (E)-2-methylbut-2-enoate","exact_mass":1206.6,"inchikey":"LNHNOBYJWYNHSB-YSURURNPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1224.64209,"smiles":"COC1CC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CC=C3C2)C(C)OC6OC(COC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C(O)C(O)C6O)OC(C)C1OC9OC(C)C(OC(=O)C(\\C)=C\\C)C(OC)C9O","spectrum_id":"CCMSLIB00000846571","spectrum_index":766},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381342-01!3-[(E)-prop-1-enyl]pentanedioic acid","exact_mass":172.074,"inchikey":"MZNNPGRTALKBID-NSCUHMNNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":173.082169,"smiles":"C\\C=C\\C(CC(O)=O)CC(O)=O","spectrum_id":"CCMSLIB00000846574","spectrum_index":767},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381342-01!3-[(E)-prop-1-enyl]pentanedioic acid","exact_mass":172.074,"inchikey":"MZNNPGRTALKBID-NSCUHMNNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":195.067017,"smiles":"C\\C=C\\C(CC(O)=O)CC(O)=O","spectrum_id":"CCMSLIB00000846575","spectrum_index":768},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381343-01!3-hydroxy-7-methoxy-3H-2-benzofuran-1-one","exact_mass":180.042,"inchikey":"URTPDSARMPGSPA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":181.050995,"smiles":"COC1=C2C(=O)OC(O)C2=CC=C1","spectrum_id":"CCMSLIB00000846577","spectrum_index":769},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381344-01!8-hydroxy-6-methoxy-1-oxo-3,4-dihydroisochromene-7-carboxylic acid","exact_mass":238.048,"inchikey":"XUZUDAQIVRMSLL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.057037,"smiles":"COC1=CC2=C(C(=O)OCC2)C(O)=C1C(O)=O","spectrum_id":"CCMSLIB00000846580","spectrum_index":770},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid","exact_mass":314.246,"inchikey":"GQEOLYBERRZZCE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.256195,"smiles":"CCCCCCCCC1OC1C(O)CCCCCCC(O)=O","spectrum_id":"CCMSLIB00000846581","spectrum_index":771},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid","exact_mass":314.246,"inchikey":"GQEOLYBERRZZCE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.245575,"smiles":"CCCCCCCCC1OC1C(O)CCCCCCC(O)=O","spectrum_id":"CCMSLIB00000846584","spectrum_index":772},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid","exact_mass":314.246,"inchikey":"GQEOLYBERRZZCE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":356.282959,"smiles":"CCCCCCCCC1OC1C(O)CCCCCCC(O)=O","spectrum_id":"CCMSLIB00000846585","spectrum_index":773},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180698-03!(2S)-2-[(1S)-1-carboxyundecyl]-5-oxooxolane-2-carboxylic acid","exact_mass":328.189,"inchikey":"TUXHHVJPGQUPCF-DYVFJYSZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.199005,"smiles":"CCCCCCCCCC[C@H](C(O)=O)[C@@]1(CCC(=O)O1)C(O)=O","spectrum_id":"CCMSLIB00000846587","spectrum_index":774},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180821-02!(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","exact_mass":358.142,"inchikey":"TVKGYMYAOVADOP-SOFGYWHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.1521,"smiles":"COC1=CC(OC)=C(C(=O)\\C=C\\C2=CC(OC)=C(OC)C=C2)C(OC)=C1","spectrum_id":"CCMSLIB00000846589","spectrum_index":775},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180821-02!(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","exact_mass":358.142,"inchikey":"TVKGYMYAOVADOP-SOFGYWHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.134552,"smiles":"COC1=CC(OC)=C(C(=O)\\C=C\\C2=CC(OC)=C(OC)C=C2)C(OC)=C1","spectrum_id":"CCMSLIB00000846591","spectrum_index":776},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381222-01!1,3,5-trihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid","exact_mass":368.111,"inchikey":"HPBJJSKSRVQRQK-HWKANZROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.120453,"smiles":"COC1=C(O)C=C(C=C1)\\C=C\\C(=O)OC2C(O)CC(O)(CC2O)C(O)=O","spectrum_id":"CCMSLIB00000846594","spectrum_index":777},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380383-01!methyl 4,10-diacetyloxy-5,9-dihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate","exact_mass":462.225,"inchikey":"FEMTVABTBAWCEK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.207825,"smiles":"COC(=O)C1(C)CCC(OC(C)=O)C2(C)C1C(OC(C)=O)C(O)C3=C2C(O)=CC(=C3)C(C)C","spectrum_id":"CCMSLIB00000846595","spectrum_index":778},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00246242-02!4-(3-hydroxybutyl)phenol","exact_mass":166.099,"inchikey":"SFUCGABQOMYVJW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":149.096268,"smiles":"CC(O)CCC1=CC=C(O)C=C1","spectrum_id":"CCMSLIB00000846598","spectrum_index":779},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385853-01!4-methoxy-2H-isoquinolin-1-one","exact_mass":175.063,"inchikey":"ITVVDKFBWYVGPV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":176.070831,"smiles":"COC1=CNC(=O)C2=CC=CC=C12","spectrum_id":"CCMSLIB00000846599","spectrum_index":780},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385870-01!1-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethanone","exact_mass":180.079,"inchikey":"KLCSKEIAIWQUEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":181.086426,"smiles":"CC(=O)C1=CC(CCO)=C(O)C=C1","spectrum_id":"CCMSLIB00000846601","spectrum_index":781},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385847-01!1-(4-methoxyphenyl)propane-1,2-diol","exact_mass":182.094,"inchikey":"MRDZSBVJWOXBRW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":165.091324,"smiles":"COC1=CC=C(C=C1)C(O)C(C)O","spectrum_id":"CCMSLIB00000846604","spectrum_index":782},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169556-02!3-(3,4,5-trimethoxyphenyl)propanoic acid","exact_mass":240.1,"inchikey":"ZCYXGVJUZBKJAI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":241.107712,"smiles":"COC1=CC(CCC(O)=O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000846605","spectrum_index":783},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169556-02!3-(3,4,5-trimethoxyphenyl)propanoic acid","exact_mass":240.1,"inchikey":"ZCYXGVJUZBKJAI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":258.134674,"smiles":"COC1=CC(CCC(O)=O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000846607","spectrum_index":784},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385852-01!(E)-4-hydroxy-4-[4-oxo-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acid","exact_mass":294.147,"inchikey":"YIRHMWZFQOEWEV-GFGVWQOPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.154816,"smiles":"CC(=O)CCC\\C=C\\C1CC(=O)CC1C(O)\\C=C\\C(O)=O","spectrum_id":"CCMSLIB00000846609","spectrum_index":785},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015810-24!1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline","exact_mass":339.147,"inchikey":"XQYZDYMELSJDRZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":340.155457,"smiles":"COC1=CC2=CC=NC(CC3=CC(OC)=C(OC)C=C3)=C2C=C1OC","spectrum_id":"CCMSLIB00000846611","spectrum_index":786},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381317-01!(E)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione","exact_mass":281.199,"inchikey":"LCDBRGPJMWXDGF-ONEGZZNKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.206543,"smiles":"C\\C=C\\CCCCC(=O)C(C)C(=O)N1CCCC1CO","spectrum_id":"CCMSLIB00000846613","spectrum_index":787},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381317-01!(E)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione","exact_mass":281.199,"inchikey":"LCDBRGPJMWXDGF-ONEGZZNKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":304.188446,"smiles":"C\\C=C\\CCCCC(=O)C(C)C(=O)N1CCCC1CO","spectrum_id":"CCMSLIB00000846615","spectrum_index":788},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095690-03!(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (Z)-2-methylbut-2-enoate","exact_mass":328.131,"inchikey":"RRHCDWLSHIIIIT-WZUFQYTHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.13855,"smiles":"C\\C=C(\\C)C(=O)OC1CC2=C(OC1(C)C)C=CC3=C2OC(=O)C=C3","spectrum_id":"CCMSLIB00000846617","spectrum_index":789},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381311-01!","exact_mass":350.079,"inchikey":"XMKCCNYPWIGJAO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":368.113129,"smiles":"OC1C=CC(O)C23OC12C(=O)C=CC34OC5=CC=CC6=C5C(O4)=CC=C6","spectrum_id":"CCMSLIB00000846619","spectrum_index":790},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381312-01!5-[10-(3,5-dihydroxyphenyl)decyl]benzene-1,3-diol","exact_mass":358.214,"inchikey":"JEFDYMSGEDIFOV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.222015,"smiles":"OC1=CC(CCCCCCCCCCC2=CC(O)=CC(O)=C2)=CC(O)=C1","spectrum_id":"CCMSLIB00000846621","spectrum_index":791},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180206-02!5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]chromen-4-one","exact_mass":578.164,"inchikey":"JWESWEUFMKPWPH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.169434,"smiles":"CC1OC(OC2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C=C(OC5OC(CO)C(O)C(O)C5O)C=C4O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000846624","spectrum_index":792},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate","exact_mass":680.362,"inchikey":"BENIATCKWZLKMA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":681.367188,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846625","spectrum_index":793},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate","exact_mass":680.362,"inchikey":"BENIATCKWZLKMA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":698.393311,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846627","spectrum_index":794},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate","exact_mass":680.362,"inchikey":"BENIATCKWZLKMA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":703.348938,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846630","spectrum_index":795},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386094-01!8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylic acid","exact_mass":222.053,"inchikey":"QRLBIKRXEQOMSF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":223.060974,"smiles":"CC1CC2=C(C=CC(O)=C2C(=O)O1)C(O)=O","spectrum_id":"CCMSLIB00000846631","spectrum_index":796},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386088-01!2-(2-acetyl-3,5-dihydroxy-4,6-dimethylphenyl)acetic acid","exact_mass":238.084,"inchikey":"OWTQYBKDLMPBEH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.092789,"smiles":"CC(=O)C1=C(O)C(C)=C(O)C(C)=C1CC(O)=O","spectrum_id":"CCMSLIB00000846633","spectrum_index":797},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386095-01!","exact_mass":410.137,"inchikey":"MLCZRFXGJOUFHE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.145935,"smiles":"COC1=C2C3C=COC3OC2=CC4=C1C(=O)C5=C(O)C=CC(CCC(C)(C)O)=C5O4","spectrum_id":"CCMSLIB00000846635","spectrum_index":798},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386100-01!","exact_mass":426.131,"inchikey":"PWDXABLHFDFFEB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.140869,"smiles":"COC1=C2C3C=COC3OC2=CC4=C1C(=O)C5=C(O)C=CC(C(O)CC(C)(C)O)=C5O4","spectrum_id":"CCMSLIB00000846637","spectrum_index":799},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386100-01!","exact_mass":426.131,"inchikey":"PWDXABLHFDFFEB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.130493,"smiles":"COC1=C2C3C=COC3OC2=CC4=C1C(=O)C5=C(O)C=CC(C(O)CC(C)(C)O)=C5O4","spectrum_id":"CCMSLIB00000846639","spectrum_index":800},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate","exact_mass":794.43,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.438354,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846642","spectrum_index":801},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate","exact_mass":794.43,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":777.427185,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846644","spectrum_index":802},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate","exact_mass":794.43,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":812.463928,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846646","spectrum_index":803},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate","exact_mass":794.43,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":817.419495,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846648","spectrum_index":804},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095987-05!6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone","exact_mass":1110.63,"inchikey":"FCFNRCROJUBPLU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1111.636108,"smiles":"CC(C)C1NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000846649","spectrum_index":805},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095987-05!6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone","exact_mass":1110.63,"inchikey":"FCFNRCROJUBPLU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1128.663818,"smiles":"CC(C)C1NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000846651","spectrum_index":806},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095987-05!6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone","exact_mass":1110.63,"inchikey":"FCFNRCROJUBPLU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1133.619751,"smiles":"CC(C)C1NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000846653","spectrum_index":807},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095987-05!6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone","exact_mass":1110.63,"inchikey":"FCFNRCROJUBPLU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1149.592407,"smiles":"CC(C)C1NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000846656","spectrum_index":808},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384784-01!5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one","exact_mass":314.152,"inchikey":"ZBFSUZGUYFFWGY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.15863,"smiles":"OC(CCC1=CC=C(O)C=C1)CC(=O)CCC2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000846657","spectrum_index":809},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384784-01!5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one","exact_mass":314.152,"inchikey":"ZBFSUZGUYFFWGY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":332.185089,"smiles":"OC(CCC1=CC=C(O)C=C1)CC(=O)CCC2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000846659","spectrum_index":810},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347762-02!3-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione","exact_mass":333.148,"inchikey":"CUVKAUWOMPJEMI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":334.154083,"smiles":"O=C1NC(CC2=CC=CC=C2)C(=O)NC1CC3=CNC4=CC=CC=C34","spectrum_id":"CCMSLIB00000846661","spectrum_index":811},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347743-02!4-methoxy-6-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole","exact_mass":354.147,"inchikey":"UIWUAELYQAENKN-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.153687,"smiles":"COC1=CC(\\C=C\\C)=CC2=C1OC(C2C)C3=CC(OC)=C4OCOC4=C3","spectrum_id":"CCMSLIB00000846663","spectrum_index":812},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347413-02!1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one","exact_mass":396.157,"inchikey":"VEZXFTKZUMARDU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.164001,"smiles":"CC(C)=CCC1=C(O)C=C2OC3=CC(O)=C(O)C(CC=C(C)C)=C3C(=O)C2=C1O","spectrum_id":"CCMSLIB00000846666","spectrum_index":813},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384781-01!2-[6-(3,4-dihydroxy-2-methylidenebutanoyl)oxy-4-ethenyl-2-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]prop-2-enoic acid","exact_mass":396.178,"inchikey":"IMMCRIJMXKHWHH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.184631,"smiles":"CC1(CC(OC(=O)C(=C)C(O)CO)C(C(O)C1C(=C)CO)C(=C)C(O)=O)C=C","spectrum_id":"CCMSLIB00000846667","spectrum_index":814},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384781-01!2-[6-(3,4-dihydroxy-2-methylidenebutanoyl)oxy-4-ethenyl-2-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]prop-2-enoic acid","exact_mass":396.178,"inchikey":"IMMCRIJMXKHWHH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":414.210754,"smiles":"CC1(CC(OC(=O)C(=C)C(O)CO)C(C(O)C1C(=C)CO)C(=C)C(O)=O)C=C","spectrum_id":"CCMSLIB00000846669","spectrum_index":815},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384769-01!6,8-dihydroxy-2,2,4,4-tetramethyl-5-(2-methylpropanoyl)-9-propan-2-yl-9H-xanthene-1,3-dione","exact_mass":414.204,"inchikey":"AYAUOXWJIWVPSO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.21106,"smiles":"CC(C)C1C2=C(O)C=C(O)C(C(=O)C(C)C)=C2OC3=C1C(=O)C(C)(C)C(=O)C3(C)C","spectrum_id":"CCMSLIB00000846671","spectrum_index":816},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00246211-02!3,9-dihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid","exact_mass":470.194,"inchikey":"KVTYWHGIZSCFLG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.200104,"smiles":"CCCCCC(=O)CC1=C2C(OC3=C(CCCCC)C(C(O)=O)=C(O)C=C3OC2=O)=CC(O)=C1","spectrum_id":"CCMSLIB00000846673","spectrum_index":817},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380346-01!2-(7-hydroxyoctyl)pentanedioic acid","exact_mass":260.162,"inchikey":"JJZBHTNQMXMCHH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.169861,"smiles":"CC(O)CCCCCCC(CCC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000846675","spectrum_index":818},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380346-01!2-(7-hydroxyoctyl)pentanedioic acid","exact_mass":260.162,"inchikey":"JJZBHTNQMXMCHH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":278.196045,"smiles":"CC(O)CCCCCCC(CCC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000846677","spectrum_index":819},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380345-01!(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one","exact_mass":282.183,"inchikey":"INHVGPIPHZJQOP-ZNMIVQPWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.190887,"smiles":"CCCCCC[C@H](O)[C@@H]1CCC2=C(O1)[C@H](O)CCC2=O","spectrum_id":"CCMSLIB00000846680","spectrum_index":820},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380345-01!(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one","exact_mass":282.183,"inchikey":"INHVGPIPHZJQOP-ZNMIVQPWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.180206,"smiles":"CCCCCC[C@H](O)[C@@H]1CCC2=C(O1)[C@H](O)CCC2=O","spectrum_id":"CCMSLIB00000846681","spectrum_index":821},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380344-01!(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide","exact_mass":315.22,"inchikey":"VVRNYAJXAUQHEN-BNFZFUHLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.227631,"smiles":"CCCCCCC\\C=C\\C=C\\C(=O)NCCC1=CC=C(O)C=C1","spectrum_id":"CCMSLIB00000846683","spectrum_index":822},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169136-03!","exact_mass":352.095,"inchikey":"SNMGCHVOXFNCCF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":370.129089,"smiles":"OC1C=CC(O)C23OC12C(O)C=CC34OC5=CC=CC6=CC=CC(O4)=C56","spectrum_id":"CCMSLIB00000846685","spectrum_index":823},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169388-03!6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one","exact_mass":410.121,"inchikey":"KFJNVVJUICKJEQ-LQDZTQBFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.128845,"smiles":"COC1=CC(=O)OC(=C1)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C(O)C=C2C","spectrum_id":"CCMSLIB00000846687","spectrum_index":824},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169388-03!6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one","exact_mass":410.121,"inchikey":"KFJNVVJUICKJEQ-LQDZTQBFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.111206,"smiles":"COC1=CC(=O)OC(=C1)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C(O)C=C2C","spectrum_id":"CCMSLIB00000846689","spectrum_index":825},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380341-01!methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate","exact_mass":452.147,"inchikey":"DHAXSUMTBBBFBJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":470.18103,"smiles":"COC(=O)C3(CC1=CC=C2OC(C)(C)C=CC2=C1)OC(=O)C(OC)=C3C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00000846691","spectrum_index":826},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380342-01!methyl 3-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate","exact_mass":522.225,"inchikey":"BVSLLGGUGCRTFA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.256897,"smiles":"COC(=O)C2(CC1=CC=C(O)C(CC=C(C)C)=C1)OC(=O)C(OC)=C2C3=C(CC=C(C)C)C(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000846693","spectrum_index":827},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380343-01!3-[4-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]-5-hydroxy-7-methoxychromen-4-one","exact_mass":608.174,"inchikey":"XJIVHUCLIXWULJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.179749,"smiles":"COC1=CC(O)=C2C(=O)C(=COC2=C1)C3=CC(OC)=C(OC4OC(COC5OCC(O)(CO)C5O)C(O)C(O)C4O)C=C3","spectrum_id":"CCMSLIB00000846695","spectrum_index":828},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380343-01!3-[4-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]-5-hydroxy-7-methoxychromen-4-one","exact_mass":608.174,"inchikey":"XJIVHUCLIXWULJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":626.206848,"smiles":"COC1=CC(O)=C2C(=O)C(=COC2=C1)C3=CC(OC)=C(OC4OC(COC5OCC(O)(CO)C5O)C(O)C(O)C4O)C=C3","spectrum_id":"CCMSLIB00000846697","spectrum_index":829},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380671-01!(2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one","exact_mass":276.1,"inchikey":"LJSWMDKKEBOERP-LBPRGKRZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.107025,"smiles":"CC1=CC(=O)C2=C(O)C3=C(O[C@@H](C3)C(C)(C)O)C=C2O1","spectrum_id":"CCMSLIB00000846699","spectrum_index":830},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380898-01!(2E,4E,14E)-13-hydroperoxy-1-piperidin-1-ylicosa-2,4,14-trien-1-one","exact_mass":405.324,"inchikey":"DXHRROZVQMDXOO-YJIGRPHCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.331512,"smiles":"CCCCC\\C=C\\C(CCCCCCC\\C=C\\C=C\\C(=O)N1CCCCC1)OO","spectrum_id":"CCMSLIB00000846701","spectrum_index":831},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380898-01!(2E,4E,14E)-13-hydroperoxy-1-piperidin-1-ylicosa-2,4,14-trien-1-one","exact_mass":405.324,"inchikey":"DXHRROZVQMDXOO-YJIGRPHCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":388.321167,"smiles":"CCCCC\\C=C\\C(CCCCCCC\\C=C\\C=C\\C(=O)N1CCCCC1)OO","spectrum_id":"CCMSLIB00000846704","spectrum_index":832},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380669-01!2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol","exact_mass":418.199,"inchikey":"KKEKLEUWEJUCRA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.195648,"smiles":"COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C2=CC(OC)=C(OC)C(OC)=C2","spectrum_id":"CCMSLIB00000846705","spectrum_index":833},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380669-01!2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol","exact_mass":418.199,"inchikey":"KKEKLEUWEJUCRA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":436.232819,"smiles":"COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C2=CC(OC)=C(OC)C(OC)=C2","spectrum_id":"CCMSLIB00000846707","spectrum_index":834},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169848-02!3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":740.216,"inchikey":"WRXVPTMENPZUIZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":741.221008,"smiles":"CC1OC(OCC2OC(OC3=C(OC4=C(C3=O)C(O)=CC(O)=C4)C5=CC=C(O)C=C5)C(OC6OC(C)C(O)C(O)C6O)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000846710","spectrum_index":835},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179920-02![(2S,3R,4R,5S,6S)-2-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-5-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-4-yl] (E)-3-phenylprop-2-enoate","exact_mass":768.263,"inchikey":"OQXBCMJIIDQITC-PJROZREGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":769.267639,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)\\C=C\\C6=CC=CC=C6)[C@H](OC(=O)\\C=C\\C7=CC=CC=C7)[C@H]1O","spectrum_id":"CCMSLIB00000846711","spectrum_index":836},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179920-02![(2S,3R,4R,5S,6S)-2-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-5-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-4-yl] (E)-3-phenylprop-2-enoate","exact_mass":768.263,"inchikey":"OQXBCMJIIDQITC-PJROZREGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":786.293884,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)\\C=C\\C6=CC=CC=C6)[C@H](OC(=O)\\C=C\\C7=CC=CC=C7)[C@H]1O","spectrum_id":"CCMSLIB00000846713","spectrum_index":837},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380923-01!2-[4-[4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]-2,6-dihydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":796.258,"inchikey":"ISHUKYBHEZATMQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":797.262329,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C=C(C=C2O)C3C(OC(C3C4=CC(O)=C(C5OC(CO)C(O)C(O)C5O)C(O)=C4)C6=CC=C(O)C=C6)C7=CC=C(O)C=C7","spectrum_id":"CCMSLIB00000846715","spectrum_index":838},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380923-01!2-[4-[4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]-2,6-dihydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":796.258,"inchikey":"ISHUKYBHEZATMQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":814.288574,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C=C(C=C2O)C3C(OC(C3C4=CC(O)=C(C5OC(CO)C(O)C(O)C5O)C(O)=C4)C6=CC=C(O)C=C6)C7=CC=C(O)C=C7","spectrum_id":"CCMSLIB00000846717","spectrum_index":839},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380923-01!2-[4-[4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]-2,6-dihydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":796.258,"inchikey":"ISHUKYBHEZATMQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":835.225403,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C=C(C=C2O)C3C(OC(C3C4=CC(O)=C(C5OC(CO)C(O)C(O)C5O)C(O)=C4)C6=CC=C(O)C=C6)C7=CC=C(O)C=C7","spectrum_id":"CCMSLIB00000846719","spectrum_index":840},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095694-06!7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one","exact_mass":244.11,"inchikey":"MBRLOUHOWLUMFF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.12117,"smiles":"COC1=C(CC=C(C)C)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000846721","spectrum_index":841},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385208-01!(2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one","exact_mass":304.058,"inchikey":"NBQYBZYBTNQEQG-LSDHHAIUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.070129,"smiles":"O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C3=C(O)C=CC=C3O","spectrum_id":"CCMSLIB00000846723","spectrum_index":842},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180304-03!(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one","exact_mass":354.147,"inchikey":"ORXQGKIUCDPEAJ-YRNVUSSQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.159546,"smiles":"COC1=C(C(=O)\\C=C\\C2=CC=C(O)C=C2)C(O)=C(CC=C(C)C)C(O)=C1","spectrum_id":"CCMSLIB00000846725","spectrum_index":843},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385511-01!3-[(2R,3S)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[2,3-h]chromen-6-yl]hexanoic acid","exact_mass":388.189,"inchikey":"MXFUJXIOAUPXPT-LAGVYOHYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.201508,"smiles":"CCCC(CC(O)=O)C1=C(O)C2=C(O[C@H](C)[C@H](C)C2=O)C3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00000846728","spectrum_index":844},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179135-03![(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate","exact_mass":442.09,"inchikey":"LSHVYAFMTMFKBA-TZIWHRDSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.104004,"smiles":"OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C4=CC(O)=C(O)C=C4)C(O)=C1","spectrum_id":"CCMSLIB00000846729","spectrum_index":845},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385204-01!5-hydroxy-2-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7,8-dimethoxychromen-4-one","exact_mass":492.127,"inchikey":"JCUIPEIMZRLNKQ-BSTKLLGTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.140747,"smiles":"COC1=CC(O)=C2C(=O)C=C(OC2=C1OC)C3=C(O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3","spectrum_id":"CCMSLIB00000846731","spectrum_index":846},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385204-01!5-hydroxy-2-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7,8-dimethoxychromen-4-one","exact_mass":492.127,"inchikey":"JCUIPEIMZRLNKQ-BSTKLLGTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":515.122131,"smiles":"COC1=CC(O)=C2C(=O)C=C(OC2=C1OC)C3=C(O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3","spectrum_id":"CCMSLIB00000846733","spectrum_index":847},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385194-01!2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","exact_mass":610.153,"inchikey":"MCTZMXCUYPDYNE-AHHFARBASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.169006,"smiles":"C[C@@H]1O[C@@H](OC2=C(OC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)C5=CC(O)=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846735","spectrum_index":848},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381065-01!1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one","exact_mass":314.152,"inchikey":"NORHBOUZICGKOK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":332.182495,"smiles":"OC1=CC=C(CCCCC(=O)CCC2=CC=C(O)C(O)=C2)C=C1","spectrum_id":"CCMSLIB00000846737","spectrum_index":849},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347705-02![2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 3-methylbutanoate","exact_mass":388.152,"inchikey":"OCJYICPEXFGZLF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.156616,"smiles":"CC(C)CC(=O)OC1C(OC2=CC3=C(C=CC(=O)O3)C=C12)C(C)(C)OC(C)=O","spectrum_id":"CCMSLIB00000846739","spectrum_index":850},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347705-02![2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 3-methylbutanoate","exact_mass":388.152,"inchikey":"OCJYICPEXFGZLF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.140015,"smiles":"CC(C)CC(=O)OC1C(OC2=CC3=C(C=CC(=O)O3)C=C12)C(C)(C)OC(C)=O","spectrum_id":"CCMSLIB00000846741","spectrum_index":851},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347725-02!","exact_mass":410.137,"inchikey":"HJDODWXISWRQIF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.12973,"smiles":"COC1=CC2=C(C=C1OC)C3(O)C(CO2)OC4=C5C6C(OC5=CC=C4C3=O)C6(C)C","spectrum_id":"CCMSLIB00000846745","spectrum_index":852},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380959-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 8-methylnonanoate","exact_mass":496.252,"inchikey":"QEGXBXBKQLQOHP-HSZKHKTISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":514.28186,"smiles":"CC(C)CCCCCCC(=O)OC[C@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000846747","spectrum_index":853},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381058-01![3-hydroxy-1-[3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl]oxy-1-oxodecan-5-yl] 3,5-dihydroxydecanoate","exact_mass":740.456,"inchikey":"VVUAHGLHHLVKDR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":741.456055,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846749","spectrum_index":854},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381058-01![3-hydroxy-1-[3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl]oxy-1-oxodecan-5-yl] 3,5-dihydroxydecanoate","exact_mass":740.456,"inchikey":"VVUAHGLHHLVKDR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":723.445496,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846752","spectrum_index":855},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381058-01![3-hydroxy-1-[3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl]oxy-1-oxodecan-5-yl] 3,5-dihydroxydecanoate","exact_mass":740.456,"inchikey":"VVUAHGLHHLVKDR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":758.481873,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846753","spectrum_index":856},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380958-01!2-[[2-[2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoic acid","exact_mass":758.431,"inchikey":"PGRWPWIGJLNDHN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":759.431702,"smiles":"CC(C)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00000846755","spectrum_index":857},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380958-01!2-[[2-[2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoic acid","exact_mass":758.431,"inchikey":"PGRWPWIGJLNDHN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":776.458374,"smiles":"CC(C)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00000846757","spectrum_index":858},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380958-01!2-[[2-[2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoic acid","exact_mass":758.431,"inchikey":"PGRWPWIGJLNDHN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":781.413879,"smiles":"CC(C)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00000846760","spectrum_index":859},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380138-01!","exact_mass":209.105,"inchikey":"UZQNZIRCZJBHKR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":210.114151,"smiles":"CCC1C(O)C2OC(=O)N3CCC=C1C23","spectrum_id":"CCMSLIB00000846761","spectrum_index":860},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380138-01!","exact_mass":209.105,"inchikey":"UZQNZIRCZJBHKR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":227.140778,"smiles":"CCC1C(O)C2OC(=O)N3CCC=C1C23","spectrum_id":"CCMSLIB00000846763","spectrum_index":861},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380137-01!","exact_mass":270.089,"inchikey":"GNUBOQVVIAMPSG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.128113,"smiles":"COC1=C(O)C=C2CCC3=CC(O)=CC4=C3C2=C1CO4","spectrum_id":"CCMSLIB00000846765","spectrum_index":862},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380135-01!(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione","exact_mass":280.131,"inchikey":"IRPFOXRBPHCCTG-CZLFTNFUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.12915,"smiles":"C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(C)(O)[C@@]13CCC(=O)O3","spectrum_id":"CCMSLIB00000846768","spectrum_index":863},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380135-01!(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione","exact_mass":280.131,"inchikey":"IRPFOXRBPHCCTG-CZLFTNFUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.166321,"smiles":"C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(C)(O)[C@@]13CCC(=O)O3","spectrum_id":"CCMSLIB00000846769","spectrum_index":864},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380136-01!1-(2,3-dihydropyrrol-1-yl)-8,9-dihydroxy-2-methyldecane-1,3-dione","exact_mass":283.178,"inchikey":"JOWVGZMGFFSVRV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.187225,"smiles":"CC(O)C(O)CCCCC(=O)C(C)C(=O)N1CCC=C1","spectrum_id":"CCMSLIB00000846771","spectrum_index":865},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380136-01!1-(2,3-dihydropyrrol-1-yl)-8,9-dihydroxy-2-methyldecane-1,3-dione","exact_mass":283.178,"inchikey":"JOWVGZMGFFSVRV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":266.176697,"smiles":"CC(O)C(O)CCCCC(=O)C(C)C(=O)N1CCC=C1","spectrum_id":"CCMSLIB00000846774","spectrum_index":866},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380136-01!1-(2,3-dihydropyrrol-1-yl)-8,9-dihydroxy-2-methyldecane-1,3-dione","exact_mass":283.178,"inchikey":"JOWVGZMGFFSVRV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.214081,"smiles":"CC(O)C(O)CCCCC(=O)C(C)C(=O)N1CCC=C1","spectrum_id":"CCMSLIB00000846776","spectrum_index":867},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380571-01!3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-hydroxy-4-methoxyphenyl]propanoic acid","exact_mass":326.1,"inchikey":"BNLUQONOBPMVBG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.109558,"smiles":"COC1=CC(O)=C(CCC(O)=O)C=C1C2OC(=O)C(C)(O)C2O","spectrum_id":"CCMSLIB00000846777","spectrum_index":868},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380571-01!3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-hydroxy-4-methoxyphenyl]propanoic acid","exact_mass":326.1,"inchikey":"BNLUQONOBPMVBG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.136444,"smiles":"COC1=CC(O)=C(CCC(O)=O)C=C1C2OC(=O)C(C)(O)C2O","spectrum_id":"CCMSLIB00000846779","spectrum_index":869},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180397-02!4-(2,4-dihydroxy-3,5-dimethylbenzoyl)oxy-2-hydroxy-3,5-dimethylbenzoic acid","exact_mass":346.105,"inchikey":"WKHWTIZYRUWECB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.114288,"smiles":"CC1=CC(C(O)=O)=C(O)C(C)=C1OC(=O)C2=CC(C)=C(O)C(C)=C2O","spectrum_id":"CCMSLIB00000846781","spectrum_index":870},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169117-02!3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-RFOFMGPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.182098,"smiles":"C[C@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000846783","spectrum_index":871},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169117-02!3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-RFOFMGPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.171356,"smiles":"C[C@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000846785","spectrum_index":872},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169117-02!3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-RFOFMGPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":440.2164,"smiles":"C[C@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000846787","spectrum_index":873},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169117-02!3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-RFOFMGPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.16394,"smiles":"C[C@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000846790","spectrum_index":874},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00090582-03!(E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-one","exact_mass":270.089,"inchikey":"CUGDOWNTXKLQMD-BQYQJAHWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.097351,"smiles":"COC1=CC(O)=C(C(=O)\\C=C\\C2=CC=CC=C2)C(O)=C1","spectrum_id":"CCMSLIB00000846791","spectrum_index":875},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385816-01!(10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate","exact_mass":344.126,"inchikey":"KJWFOHVSTFGWGZ-YHYXMXQVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.134491,"smiles":"C\\C=C(\\C)C(=O)OC1C(O)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00000846793","spectrum_index":876},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385816-01!(10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate","exact_mass":344.126,"inchikey":"KJWFOHVSTFGWGZ-YHYXMXQVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.123779,"smiles":"C\\C=C(\\C)C(=O)OC1C(O)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00000846795","spectrum_index":877},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385816-01!(10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate","exact_mass":344.126,"inchikey":"KJWFOHVSTFGWGZ-YHYXMXQVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.160858,"smiles":"C\\C=C(\\C)C(=O)OC1C(O)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00000846798","spectrum_index":878},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385674-01!6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydroisochromen-1-one","exact_mass":350.209,"inchikey":"YLEKEQNOOIMZQM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.217957,"smiles":"CC(O)CCCCCCCCCC1CC2=CC(O)=CC(O)=C2C(=O)O1","spectrum_id":"CCMSLIB00000846799","spectrum_index":879},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385752-01!methyl (1R,4aS,8S,8aS)-3-methoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate","exact_mass":420.163,"inchikey":"IZODPOCIKVLNIL-MNMYWMKCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":438.197479,"smiles":"COC1C[C@H]2[C@@H]([C@@H](C)O1)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)OC","spectrum_id":"CCMSLIB00000846802","spectrum_index":880},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169021-02!(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","exact_mass":462.08,"inchikey":"FNTJVYCFNVUBOL-ZUGPOPFOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.08783,"smiles":"O[C@H]1[C@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C4=CC=C(O)C=C4)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000846803","spectrum_index":881},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385532-01!2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":494.106,"inchikey":"SCHVWZLYQPLPJV-SZLBXBRSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":495.113434,"smiles":"COC1=C(O)C=C(C=C1O)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C4=C(O)C=C(O)C=C4O2","spectrum_id":"CCMSLIB00000846805","spectrum_index":882},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385532-01!2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":494.106,"inchikey":"SCHVWZLYQPLPJV-SZLBXBRSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":477.104004,"smiles":"COC1=C(O)C=C(C=C1O)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C4=C(O)C=C(O)C=C4O2","spectrum_id":"CCMSLIB00000846807","spectrum_index":883},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385601-01!5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":740.216,"inchikey":"PEFASEPMJYRQBW-HKWQTAEVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":741.221924,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C3=O)C(O)=CC(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)=C4)C6=CC=C(O)C=C6)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846809","spectrum_index":884},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169431-02!5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol","exact_mass":258.089,"inchikey":"ANNNBEZJTNCXHY-NSCUHMNNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.095123,"smiles":"COC1=C(O)C=CC(\\C=C\\C2=CC(O)=CC(O)=C2)=C1","spectrum_id":"CCMSLIB00000846811","spectrum_index":885},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385493-01!methyl 7-(2-methylpropanoyloxy)-2-oxochromene-6-carboxylate","exact_mass":290.079,"inchikey":"VUVWVGLISBHUCV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.085693,"smiles":"COC(=O)C1=C(OC(=O)C(C)C)C=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00000846813","spectrum_index":886},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385493-01!methyl 7-(2-methylpropanoyloxy)-2-oxochromene-6-carboxylate","exact_mass":290.079,"inchikey":"VUVWVGLISBHUCV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.11203,"smiles":"COC(=O)C1=C(OC(=O)C(C)C)C=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00000846815","spectrum_index":887},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347365-02!5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one","exact_mass":312.136,"inchikey":"WYMMNGQSPNWCIK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.142151,"smiles":"CC(C)(C=C)C1=C2OC(C)(C)C=CC2=C(O)C3=C1OC(=O)C=C3","spectrum_id":"CCMSLIB00000846817","spectrum_index":888},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168954-03!7-[[(1R,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one","exact_mass":382.214,"inchikey":"FCWYNTDTQPCVPG-XLRKYUMYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.220245,"smiles":"CC1(C)[C@H](O)CC[C@@]2(C)[C@H](COC3=CC4=C(C=CC(=O)O4)C=C3)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00000846820","spectrum_index":889},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385502-01!1-[2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one","exact_mass":436.137,"inchikey":"CSATWRZOLKGPRW-KXIDKYMXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.141968,"smiles":"OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C=CC(C(=O)C(O)CC3=CC=C(O)C=C3)=C2O","spectrum_id":"CCMSLIB00000846821","spectrum_index":890},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169505-02!3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":450.116,"inchikey":"UDIXYHJHYVDNOG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.121887,"smiles":"OCC1OC(OC2=CC3=C(C(=O)C(O)C(O3)C4=CC=C(O)C=C4)C(O)=C2)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000846823","spectrum_index":891},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180544-02![(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":624.205,"inchikey":"DTOUWTJYUCZJQD-UJERWXFOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":625.209106,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)\\C=C\\C4=CC(O)=C(O)C=C4)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846826","spectrum_index":892},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180544-02![(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":624.205,"inchikey":"DTOUWTJYUCZJQD-UJERWXFOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":642.235413,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)\\C=C\\C4=CC(O)=C(O)C=C4)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846827","spectrum_index":893},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380857-01!5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]benzene-1,3-diol","exact_mass":260.105,"inchikey":"KPFFMALTIRFAHW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.111572,"smiles":"COC1=C(O)C=CC(CCC2=CC(O)=CC(O)=C2)=C1","spectrum_id":"CCMSLIB00000846829","spectrum_index":894},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380788-01!","exact_mass":384.121,"inchikey":"YNDFKLFQXINGHN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.126953,"smiles":"COC1=C2C(=O)C3=C(OC2=CC=C1)C(OC)=C4OC5(C)CCCC(O5)C4=C3O","spectrum_id":"CCMSLIB00000846831","spectrum_index":895},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169275-02!5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one","exact_mass":384.134,"inchikey":"BRELKNNWUMEGDN-VOTSOKGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.14032,"smiles":"CCC(C)C(O)C(C)(O)\\C=C\\C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2=CO1","spectrum_id":"CCMSLIB00000846833","spectrum_index":896},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180375-03!","exact_mass":389.185,"inchikey":"SPWSUFUPTSJWNG-LIMLNZRCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":390.191406,"smiles":"CC(C)(C=C)[C@@]12C[C@@H]3N([C@@H]1NC4=C2C=CC=C4)C(=O)\\C(NC3=O)=C\\C5=CN=CN5","spectrum_id":"CCMSLIB00000846835","spectrum_index":897},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168901-03![5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisochromen-7-yl] acetate","exact_mass":390.123,"inchikey":"SWJLTKXURNHVHE-NJHPPEEMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.129364,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CO1","spectrum_id":"CCMSLIB00000846837","spectrum_index":898},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180673-03!1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone","exact_mass":600.348,"inchikey":"NHKCCADZVLTPPO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":601.352722,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00000846839","spectrum_index":899},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380278-02!3-butan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","exact_mass":210.137,"inchikey":"ZDACRNZBFJOLTC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":211.146698,"smiles":"CCC(C)C1NC(=O)C2CCCN2C1=O","spectrum_id":"CCMSLIB00000846841","spectrum_index":900},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385954-01!3-(2,4,5-trimethoxyphenyl)propanoic acid","exact_mass":240.1,"inchikey":"UGHPWKLKDZLPNM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":241.109985,"smiles":"COC1=CC(OC)=C(OC)C=C1CCC(O)=O","spectrum_id":"CCMSLIB00000846845","spectrum_index":901},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385954-01!3-(2,4,5-trimethoxyphenyl)propanoic acid","exact_mass":240.1,"inchikey":"UGHPWKLKDZLPNM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":258.136566,"smiles":"COC1=CC(OC)=C(OC)C=C1CCC(O)=O","spectrum_id":"CCMSLIB00000846847","spectrum_index":902},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180037-02!2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-pentylbenzoic acid","exact_mass":306.183,"inchikey":"UJSSSFNGQWZNEN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.193054,"smiles":"CCCCCC1=C(C(O)=O)C(O)=C(CC=C(C)C)C(OC)=C1","spectrum_id":"CCMSLIB00000846849","spectrum_index":903},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385985-01![3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate","exact_mass":376.152,"inchikey":"RPWASDJXFDDBFQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.163635,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C(O)C(O)C(=C)COC(=O)CC(C)C","spectrum_id":"CCMSLIB00000846851","spectrum_index":904},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385985-01![3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate","exact_mass":376.152,"inchikey":"RPWASDJXFDDBFQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.15271,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C(O)C(O)C(=C)COC(=O)CC(C)C","spectrum_id":"CCMSLIB00000846853","spectrum_index":905},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385985-01![3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate","exact_mass":376.152,"inchikey":"RPWASDJXFDDBFQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.189758,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C(O)C(O)C(=C)COC(=O)CC(C)C","spectrum_id":"CCMSLIB00000846855","spectrum_index":906},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180625-03!3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":542.121,"inchikey":"RNQBLQALVMHBKH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.133667,"smiles":"OC1=CC=C(C=C1)C2OC3=C(C(=O)C2C4C(OC5=C(C4=O)C(O)=CC(O)=C5)C6=CC=C(O)C=C6)C(O)=CC(O)=C3","spectrum_id":"CCMSLIB00000846863","spectrum_index":907},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384566-01!8-hydroxy-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one","exact_mass":260.105,"inchikey":"KNZZAAGBIUZSNV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.113953,"smiles":"COC1=CC=C2C=C(C(=O)OC2=C1O)C(C)(C)C=C","spectrum_id":"CCMSLIB00000846867","spectrum_index":908},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384566-01!8-hydroxy-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one","exact_mass":260.105,"inchikey":"KNZZAAGBIUZSNV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":278.14093,"smiles":"COC1=CC=C2C=C(C(=O)OC2=C1O)C(C)(C)C=C","spectrum_id":"CCMSLIB00000846869","spectrum_index":909},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169496-03!5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one","exact_mass":334.121,"inchikey":"DPAGRPSAFDXQDN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.130249,"smiles":"COC1=C2C(=O)C=C(OC2=C3C=CC(C)(C)OC3=C1)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000846871","spectrum_index":910},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384666-01!(2S)-5,7-dihydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one","exact_mass":422.209,"inchikey":"JHEBMTRMMJXPTM-QHCPKHFHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.219391,"smiles":"COC1=C(CC=C(C)C)C=C(C=C1CC=C(C)C)[C@@H]2CC(=O)C3=C(O)C=C(O)C=C3O2","spectrum_id":"CCMSLIB00000846873","spectrum_index":911},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384565-01!6-hydroxy-8-(7-hydroxy-2-oxochromen-8-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":500.095,"inchikey":"WTPJPYNIRFDQSR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":501.107056,"smiles":"OCC1OC(OC2=C(C3=C(C=CC(=O)O3)C=C2O)C4=C5OC(=O)C=CC5=CC=C4O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000846875","spectrum_index":912},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384565-01!6-hydroxy-8-(7-hydroxy-2-oxochromen-8-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":500.095,"inchikey":"WTPJPYNIRFDQSR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":518.132019,"smiles":"OCC1OC(OC2=C(C3=C(C=CC(=O)O3)C=C2O)C4=C5OC(=O)C=CC5=CC=C4O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000846877","spectrum_index":913},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384563-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one","exact_mass":534.137,"inchikey":"LDVNKZYMYPZDAI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.148071,"smiles":"OC1COC(C(O)C1O)C2=C(O)C(C3OCC(O)C(O)C3O)=C4OC(=CC(=O)C4=C2O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000846878","spectrum_index":914},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384648-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one","exact_mass":640.164,"inchikey":"CEZKIFXYWPTANH-HGVYTWBRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":641.174316,"smiles":"COC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(OC2=C1)C5=CC(O)=C(O)C=C5","spectrum_id":"CCMSLIB00000846882","spectrum_index":915},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384648-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one","exact_mass":640.164,"inchikey":"CEZKIFXYWPTANH-HGVYTWBRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":663.157288,"smiles":"COC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(OC2=C1)C5=CC(O)=C(O)C=C5","spectrum_id":"CCMSLIB00000846884","spectrum_index":916},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095801-05!7-hydroxychromen-2-one","exact_mass":162.032,"inchikey":"ORHBXUUXSCNDEV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":163.040207,"smiles":"OC1=CC2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000846887","spectrum_index":917},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381087-01!3-(2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one","exact_mass":264.1,"inchikey":"MXEZBPCVRNMVLQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.1091,"smiles":"COC1=CC(OC)=C2C(=O)OC(CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00000846888","spectrum_index":918},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180792-02!5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":302.079,"inchikey":"FTODBIPDTXRIGS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.088745,"smiles":"COC1=C(O)C=CC(=C1)C2CC(=O)C3=C(O2)C=C(O)C=C3O","spectrum_id":"CCMSLIB00000846890","spectrum_index":919},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180792-02!5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":302.079,"inchikey":"FTODBIPDTXRIGS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.073883,"smiles":"COC1=C(O)C=CC(=C1)C2CC(=O)C3=C(O2)C=C(O)C=C3O","spectrum_id":"CCMSLIB00000846892","spectrum_index":920},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347819-02!","exact_mass":322.121,"inchikey":"NSNGIRMJTMEZBF-YJKZWKBDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.130493,"smiles":"C[C@@]12CC[C@H]3[C@@H]1C=C4C(=O)C5=CC=CC=C5C(=O)[C@]4(O2)[C@@]3(C)C=O","spectrum_id":"CCMSLIB00000846894","spectrum_index":921},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347819-02!","exact_mass":322.121,"inchikey":"NSNGIRMJTMEZBF-YJKZWKBDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":340.157623,"smiles":"C[C@@]12CC[C@H]3[C@@H]1C=C4C(=O)C5=CC=CC=C5C(=O)[C@]4(O2)[C@@]3(C)C=O","spectrum_id":"CCMSLIB00000846896","spectrum_index":922},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381085-01![8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate","exact_mass":428.184,"inchikey":"MYXNOIIPXWBFFR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.186401,"smiles":"CC(C)CC(=O)OC1C(OC(=O)C=C(C)C)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00000846898","spectrum_index":923},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381085-01![8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate","exact_mass":428.184,"inchikey":"MYXNOIIPXWBFFR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":446.220337,"smiles":"CC(C)CC(=O)OC1C(OC(=O)C=C(C)C)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00000846900","spectrum_index":924},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381085-01![8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate","exact_mass":428.184,"inchikey":"MYXNOIIPXWBFFR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":470.207764,"smiles":"CC(C)CC(=O)OC1C(OC(=O)C=C(C)C)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00000846902","spectrum_index":925},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169637-02!(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":450.116,"inchikey":"RAFHNDRXYHOLSH-SFTVRKLSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.12619,"smiles":"OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)C[C@H](O3)C4=CC(O)=C(O)C=C4)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000846905","spectrum_index":926},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169318-02!(E)-7-(4-methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid","exact_mass":294.147,"inchikey":"HXLDSEPZKLJMIQ-DHZHZOJOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.156158,"smiles":"COC1=C(C)C(=O)OC(=C1)C(\\C)=C\\C(C)CCCC(O)=O","spectrum_id":"CCMSLIB00000846906","spectrum_index":927},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169318-02!(E)-7-(4-methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid","exact_mass":294.147,"inchikey":"HXLDSEPZKLJMIQ-DHZHZOJOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.138428,"smiles":"COC1=C(C)C(=O)OC(=C1)C(\\C)=C\\C(C)CCCC(O)=O","spectrum_id":"CCMSLIB00000846909","spectrum_index":928},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347859-02!2,3-dihydroxypropyl 13-methyltetradecanoate","exact_mass":316.261,"inchikey":"CALSYPDGGJMMDZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.271118,"smiles":"CC(C)CCCCCCCCCCCC(=O)OCC(O)CO","spectrum_id":"CCMSLIB00000846910","spectrum_index":929},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385769-01!4-[3,5-dihydroxy-7-(4-hydroxyphenyl)heptyl]benzene-1,2-diol","exact_mass":332.162,"inchikey":"XLTITIJKWVRJMS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.171844,"smiles":"OC(CCC1=CC=C(O)C=C1)CC(O)CCC2=CC(O)=C(O)C=C2","spectrum_id":"CCMSLIB00000846912","spectrum_index":930},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385758-01!7-hydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","exact_mass":416.111,"inchikey":"IAEWGSIPWPKEFT-UVPIGPOJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.120361,"smiles":"OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2=C3OC(=CC(=O)C3=CC=C2O)C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000846914","spectrum_index":931},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163559-03!5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":432.106,"inchikey":"ZCOLJUOHXJRHDI-CMWLGVBASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.115479,"smiles":"OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(=COC3=C2)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000846916","spectrum_index":932},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381130-01!methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate","exact_mass":449.278,"inchikey":"YUXUTEAAGHFKKH-MKQCFFQWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.287292,"smiles":"COC(=O)\\C=C\\C(O)C(O)CC\\C(C)=C\\C1C=C(C)C(C)C2C(CC(C)C)NC(=O)C12O","spectrum_id":"CCMSLIB00000846918","spectrum_index":933},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381130-01!methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate","exact_mass":449.278,"inchikey":"YUXUTEAAGHFKKH-MKQCFFQWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.276337,"smiles":"COC(=O)\\C=C\\C(O)C(O)CC\\C(C)=C\\C1C=C(C)C(C)C2C(CC(C)C)NC(=O)C12O","spectrum_id":"CCMSLIB00000846920","spectrum_index":934},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381134-01!","exact_mass":778.356,"inchikey":"KHWHODOWEXOYIJ-NLGMUCAGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":779.367126,"smiles":"CCCCCCCC(=O)O[C@H]1C[C@@H](C)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(C)=O)[C@@H](OC(=O)C4=CC=CC=C4)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@H]1OC(=O)C5=CC=CC=C5","spectrum_id":"CCMSLIB00000846922","spectrum_index":935},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381134-01!","exact_mass":778.356,"inchikey":"KHWHODOWEXOYIJ-NLGMUCAGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":796.392822,"smiles":"CCCCCCCC(=O)O[C@H]1C[C@@H](C)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(C)=O)[C@@H](OC(=O)C4=CC=CC=C4)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@H]1OC(=O)C5=CC=CC=C5","spectrum_id":"CCMSLIB00000846925","spectrum_index":936},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381134-01!","exact_mass":778.356,"inchikey":"KHWHODOWEXOYIJ-NLGMUCAGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":801.350037,"smiles":"CCCCCCCC(=O)O[C@H]1C[C@@H](C)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(C)=O)[C@@H](OC(=O)C4=CC=CC=C4)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@H]1OC(=O)C5=CC=CC=C5","spectrum_id":"CCMSLIB00000846926","spectrum_index":937},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179930-02!3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole","exact_mass":263.131,"inchikey":"GAEQWKVGMHUUKO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":264.138306,"smiles":"CC1=C2OC(C)(C)C=CC2=C3NC4=C(C=CC=C4)C3=C1","spectrum_id":"CCMSLIB00000846928","spectrum_index":938},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169045-03!(2Z)-4,6-dihydroxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one","exact_mass":302.043,"inchikey":"ACAAVKGSTVOIQB-BASWHVEKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.049622,"smiles":"OC1=CC(O)=C2C(=O)\\C(OC2=C1)=C\\C3=CC(O)=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000846931","spectrum_index":939},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180454-03!(2,6-dihydroxy-4-methoxyphenyl)-(4-hydroxy-2-methoxy-6-methylphenyl)methanone","exact_mass":304.095,"inchikey":"XZDCIORWACLZKX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.101898,"smiles":"COC1=CC(O)=C(C(=O)C2=C(OC)C=C(O)C=C2C)C(O)=C1","spectrum_id":"CCMSLIB00000846932","spectrum_index":940},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347666-02!2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde","exact_mass":370.214,"inchikey":"AQCKKGIVKOHRLM-HBFAXEOFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.221039,"smiles":"C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)\\C=C\\C(C)=C\\CC2=C(O)C=C(C)C(C=O)=C2O","spectrum_id":"CCMSLIB00000846934","spectrum_index":941},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347666-02!2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde","exact_mass":370.214,"inchikey":"AQCKKGIVKOHRLM-HBFAXEOFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":388.247284,"smiles":"C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)\\C=C\\C(C)=C\\CC2=C(O)C=C(C)C(C=O)=C2O","spectrum_id":"CCMSLIB00000846936","spectrum_index":942},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347666-02!2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde","exact_mass":370.214,"inchikey":"AQCKKGIVKOHRLM-HBFAXEOFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.202728,"smiles":"C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)\\C=C\\C(C)=C\\CC2=C(O)C=C(C)C(C=O)=C2O","spectrum_id":"CCMSLIB00000846939","spectrum_index":943},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179715-03!methyl 2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate","exact_mass":440.147,"inchikey":"FWHAYHIGJSFGKO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.153839,"smiles":"COC(=O)C3(CC1=CC(CC2OC2(C)C)=C(O)C=C1)OC(=O)C(O)=C3C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000846940","spectrum_index":944},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179715-03!methyl 2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate","exact_mass":440.147,"inchikey":"FWHAYHIGJSFGKO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":458.178955,"smiles":"COC(=O)C3(CC1=CC(CC2OC2(C)C)=C(O)C=C1)OC(=O)C(O)=C3C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000846943","spectrum_index":945},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384592-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":580.143,"inchikey":"RXAXTTGJEMODPY-CJNLAGEVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":581.147217,"smiles":"OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC=C(O)C=C4)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000846944","spectrum_index":946},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384592-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":580.143,"inchikey":"RXAXTTGJEMODPY-CJNLAGEVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":603.128113,"smiles":"OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC=C(O)C=C4)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000846946","spectrum_index":947},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347717-02!","exact_mass":1078.58,"inchikey":"DFQUSLQYURJBIT-MFKXNLKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1079.576782,"smiles":"CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C4=CC=C(O)C=C4)[C@H](O)CC(N)=O","spectrum_id":"CCMSLIB00000846948","spectrum_index":948},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347717-02!","exact_mass":1078.58,"inchikey":"DFQUSLQYURJBIT-MFKXNLKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1101.557739,"smiles":"CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C4=CC=C(O)C=C4)[C@H](O)CC(N)=O","spectrum_id":"CCMSLIB00000846950","spectrum_index":949},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384855-01!2-butyl-5-pentylbenzene-1,3-diol","exact_mass":236.178,"inchikey":"CZZVTNRWOQFMEU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.185059,"smiles":"CCCCCC1=CC(O)=C(CCCC)C(O)=C1","spectrum_id":"CCMSLIB00000846953","spectrum_index":950},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384858-01!5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-phenylpyrano[2,3-h]chromen-2-one","exact_mass":390.147,"inchikey":"SVCPILBFQWTZFW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.153717,"smiles":"CC(C)C(=O)C1=C(O)C2=C(OC(=O)C=C2C3=CC=CC=C3)C4=C1OC(C)(C)C=C4","spectrum_id":"CCMSLIB00000846954","spectrum_index":951},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384865-01!5-hydroxy-7-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one","exact_mass":436.189,"inchikey":"QJFJALJGKXGWFO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.195984,"smiles":"COC1=C(C=CC(O)=C1CC=C(C)C)C2COC3=CC4=C(C=CC(C)(C)O4)C(O)=C3C2=O","spectrum_id":"CCMSLIB00000846956","spectrum_index":952},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384869-01!4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione","exact_mass":486.335,"inchikey":"PGQUPZCFLHXEHV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.341797,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1=C2C=CC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1=O","spectrum_id":"CCMSLIB00000846960","spectrum_index":953},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384869-01!4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione","exact_mass":486.335,"inchikey":"PGQUPZCFLHXEHV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.331268,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1=C2C=CC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1=O","spectrum_id":"CCMSLIB00000846962","spectrum_index":954},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384869-01!4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione","exact_mass":486.335,"inchikey":"PGQUPZCFLHXEHV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":509.323578,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1=C2C=CC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1=O","spectrum_id":"CCMSLIB00000846964","spectrum_index":955},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384867-01!5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":492.127,"inchikey":"YFZSQPRYLBGYKE-FZFRBNDOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.13443,"smiles":"COC1=C(O)C=CC(=C1)C2=CC(=O)C3=C(O)C(OC)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2","spectrum_id":"CCMSLIB00000846966","spectrum_index":956},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384875-01!5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one","exact_mass":564.148,"inchikey":"DQBVFTJNUYZVQL-AJLBHKPASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.155212,"smiles":"C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)=C(OC3=C2)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000846968","spectrum_index":957},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180512-02!","exact_mass":364.225,"inchikey":"IUVZTUKGYOYDHT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.234253,"smiles":"CC1CC(=O)C2=C(O1)OC3(C)CCC4C(C)(C)C(O)CC(O)C4(C)C3C2","spectrum_id":"CCMSLIB00000846970","spectrum_index":958},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180512-02!","exact_mass":364.225,"inchikey":"IUVZTUKGYOYDHT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.223358,"smiles":"CC1CC(=O)C2=C(O1)OC3(C)CCC4C(C)(C)C(O)CC(O)C4(C)C3C2","spectrum_id":"CCMSLIB00000846973","spectrum_index":959},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347765-02![(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate","exact_mass":433.166,"inchikey":"ZQLIAKJHIRHCFA-XIIQHIPDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.174866,"smiles":"CC[C@H](C)\\C=C(C)\\C=C\\C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO","spectrum_id":"CCMSLIB00000846974","spectrum_index":960},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386071-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate","exact_mass":524.283,"inchikey":"UCAFTLMODRRASO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":525.29248,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846977","spectrum_index":961},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386071-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate","exact_mass":524.283,"inchikey":"UCAFTLMODRRASO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":542.319763,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846978","spectrum_index":962},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate","exact_mass":553.325,"inchikey":"BJMXBTRNBWZGEQ-FKYXSWMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":554.334045,"smiles":"COC(\\C=C\\CC\\C=C\\C(=O)OC)C(O)C(C)\\C=C(\\C)C(O)C(C)C(=O)CCCC(CC(N)=O)CC(=O)OC","spectrum_id":"CCMSLIB00000846980","spectrum_index":963},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate","exact_mass":553.325,"inchikey":"BJMXBTRNBWZGEQ-FKYXSWMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.32312,"smiles":"COC(\\C=C\\CC\\C=C\\C(=O)OC)C(O)C(C)\\C=C(\\C)C(O)C(C)C(=O)CCCC(CC(N)=O)CC(=O)OC","spectrum_id":"CCMSLIB00000846982","spectrum_index":964},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate","exact_mass":553.325,"inchikey":"BJMXBTRNBWZGEQ-FKYXSWMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":571.359497,"smiles":"COC(\\C=C\\CC\\C=C\\C(=O)OC)C(O)C(C)\\C=C(\\C)C(O)C(C)C(=O)CCCC(CC(N)=O)CC(=O)OC","spectrum_id":"CCMSLIB00000846984","spectrum_index":965},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate","exact_mass":553.325,"inchikey":"BJMXBTRNBWZGEQ-FKYXSWMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":576.315552,"smiles":"COC(\\C=C\\CC\\C=C\\C(=O)OC)C(O)C(C)\\C=C(\\C)C(O)C(C)C(=O)CCCC(CC(N)=O)CC(=O)OC","spectrum_id":"CCMSLIB00000846986","spectrum_index":966},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386067-01!2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid","exact_mass":587.367,"inchikey":"CYKDMNNWBMLNSF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":588.375671,"smiles":"CCCCC(C)C(=O)C(CC(C)CCCCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000846988","spectrum_index":967},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386067-01!2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid","exact_mass":587.367,"inchikey":"CYKDMNNWBMLNSF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":570.365479,"smiles":"CCCCC(C)C(=O)C(CC(C)CCCCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000846990","spectrum_index":968},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384483-01!(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(E,2S,3R,4S,8S,9R)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one","exact_mass":604.398,"inchikey":"ZKOTUWJMGBWBEO-DTOYTSOJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":627.388794,"smiles":"CO[C@H]1\\C=C\\C=C(C)\\C[C@H](C)[C@H](O)[C@H](C)\\C=C(C)\\C=C(OC)\\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)C(=O)\\C=C\\[C@H](C)[C@H](O)C(C)C","spectrum_id":"CCMSLIB00000846992","spectrum_index":969},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386102-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5-tetrahydroxypentoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate","exact_mass":764.419,"inchikey":"YJXRPXBRYBCYRH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":765.428162,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846995","spectrum_index":970},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386102-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5-tetrahydroxypentoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate","exact_mass":764.419,"inchikey":"YJXRPXBRYBCYRH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":747.417175,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846997","spectrum_index":971},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386102-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5-tetrahydroxypentoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate","exact_mass":764.419,"inchikey":"YJXRPXBRYBCYRH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":782.454529,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000846998","spectrum_index":972},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385266-01!3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol","exact_mass":244.11,"inchikey":"VYQXIUVIYICVCM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.117126,"smiles":"COC1=CC(O)=CC(CCC2=CC(O)=CC=C2)=C1","spectrum_id":"CCMSLIB00000847000","spectrum_index":973},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385244-01!(2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-1-piperidin-1-yltrideca-2,4,12-trien-1-one","exact_mass":395.246,"inchikey":"AVGVCMDFODSDCK-ODWZBEOQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":396.253021,"smiles":"O=C(\\C=C\\C=C\\CCCCCC\\C=C\\C1=CC2=C(OCO2)C=C1)N3CCCCC3","spectrum_id":"CCMSLIB00000847003","spectrum_index":974},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385259-01!3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","exact_mass":434.085,"inchikey":"BDCDNTVZSILEOY-UXYNSRGZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.092011,"smiles":"OC[C@@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847004","spectrum_index":975},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180379-02![(2S,3R,4S,5R,6S)-6-[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate","exact_mass":520.122,"inchikey":"SQTSPIMCWRYNFT-OZKUPCRYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.128052,"smiles":"COC1=C(O)C=C(C=C1O)C2=C(O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]3O)C(=O)C4=C(O2)C=C(O)C=C4O","spectrum_id":"CCMSLIB00000847006","spectrum_index":976},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180863-02!3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":538.09,"inchikey":"IQAMTZLKUHMPPE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":539.096497,"smiles":"OC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(O)C=C3O)C4=C(OC5=C(C(O)=CC(O)=C5)C4=O)C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00000847008","spectrum_index":977},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385249-01![(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":740.195,"inchikey":"KAJMZANRKFVVKV-RGXKZFLBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":741.201172,"smiles":"C[C@@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC=C(O)C=C4)[C@H](O[C@@H]5O[C@H](COC(=O)\\C=C\\C6=CC=C(O)C=C6)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847010","spectrum_index":978},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00091427-03!4-methoxy-6-prop-2-enyl-1,3-benzodioxole","exact_mass":192.079,"inchikey":"BNWJOHGLIBDBOB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":193.084656,"smiles":"COC1=C2OCOC2=CC(CC=C)=C1","spectrum_id":"CCMSLIB00000847013","spectrum_index":979},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385637-01!6,7-dimethoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one","exact_mass":274.121,"inchikey":"IPLJDPYEDULBAK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.126343,"smiles":"COC1=C(OC)C=C2C=C(C(=O)OC2=C1)C(C)(C)C=C","spectrum_id":"CCMSLIB00000847015","spectrum_index":980},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385617-01!9-[(Z)-4-hydroxy-3-methylbut-2-enoxy]furo[3,2-g]chromen-7-one","exact_mass":286.084,"inchikey":"SYEZZRGTJNNHEL-WMZJFQQLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.089844,"smiles":"C\\C(CO)=C\\COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00000847016","spectrum_index":981},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385617-01!9-[(Z)-4-hydroxy-3-methylbut-2-enoxy]furo[3,2-g]chromen-7-one","exact_mass":286.084,"inchikey":"SYEZZRGTJNNHEL-WMZJFQQLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":304.116058,"smiles":"C\\C(CO)=C\\COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00000847019","spectrum_index":982},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384968-01!7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one","exact_mass":400.225,"inchikey":"WNANPKYNOALKIV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.230042,"smiles":"CC1(O)CCC2C(C)(C)C(O)CCC2(C)C1COC3=CC4=C(C=CC(=O)O4)C=C3","spectrum_id":"CCMSLIB00000847020","spectrum_index":983},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384968-01!7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one","exact_mass":400.225,"inchikey":"WNANPKYNOALKIV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.256653,"smiles":"CC1(O)CCC2C(C)(C)C(O)CCC2(C)C1COC3=CC4=C(C=CC(=O)O4)C=C3","spectrum_id":"CCMSLIB00000847022","spectrum_index":984},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385631-01!6-[2,3-dihydroxy-3-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-7-methoxychromen-2-one","exact_mass":456.163,"inchikey":"ABOPTWOWDLNBOE-OEFNFJSWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.167999,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00000847028","spectrum_index":985},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385631-01!6-[2,3-dihydroxy-3-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-7-methoxychromen-2-one","exact_mass":456.163,"inchikey":"ABOPTWOWDLNBOE-OEFNFJSWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":474.195435,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00000847031","spectrum_index":986},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385624-01!(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","exact_mass":462.08,"inchikey":"VSUOKLTVXQRUSG-ZFORQUDYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.084198,"smiles":"O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=CC(O)=C3C(=O)C=C(OC3=C2)C4=CC=C(O)C(O)=C4)C(O)=O","spectrum_id":"CCMSLIB00000847032","spectrum_index":987},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385624-01!(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","exact_mass":462.08,"inchikey":"VSUOKLTVXQRUSG-ZFORQUDYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":480.118805,"smiles":"O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=CC(O)=C3C(=O)C=C(OC3=C2)C4=CC=C(O)C(O)=C4)C(O)=O","spectrum_id":"CCMSLIB00000847035","spectrum_index":988},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385638-01!2,2'-bis(3,4-dihydroxyphenyl)-3',4,5',6-tetrahydroxyspiro[2H-1-benzofuran-3,9'-3,4-dihydro-2H-furo[2,3-h]chromene]-8'-one","exact_mass":574.111,"inchikey":"BDMACDVLTOBWFC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":575.115173,"smiles":"OC1CC2=C(O)C=C3OC(=O)C4(C(OC5=C4C(O)=CC(O)=C5)C6=CC=C(O)C(O)=C6)C3=C2OC1C7=CC=C(O)C(O)=C7","spectrum_id":"CCMSLIB00000847037","spectrum_index":989},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385630-01![6-[(5,7-dihydroxy-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":648.221,"inchikey":"HSSDDGQDMDJKGU-PWHKKFIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":649.223206,"smiles":"CC1CC(CC2=CC(O)=CC(O)=C12)OC3OC(COC(=O)\\C=C\\C4=CC=C(O)C=C4)C(OC(=O)\\C=C\\C5=CC=C(O)C=C5)C(O)C3O","spectrum_id":"CCMSLIB00000847038","spectrum_index":990},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385630-01![6-[(5,7-dihydroxy-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":648.221,"inchikey":"HSSDDGQDMDJKGU-PWHKKFIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":666.250366,"smiles":"CC1CC(CC2=CC(O)=CC(O)=C12)OC3OC(COC(=O)\\C=C\\C4=CC=C(O)C=C4)C(OC(=O)\\C=C\\C5=CC=C(O)C=C5)C(O)C3O","spectrum_id":"CCMSLIB00000847040","spectrum_index":991},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179979-02!6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxypyran-2-one","exact_mass":228.1,"inchikey":"BSXCHPRMOOSCRM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.107635,"smiles":"COC1=CC(=O)OC(C(C)C(C)O)=C1CO","spectrum_id":"CCMSLIB00000847043","spectrum_index":992},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179979-02!6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxypyran-2-one","exact_mass":228.1,"inchikey":"BSXCHPRMOOSCRM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":246.134903,"smiles":"COC1=CC(=O)OC(C(C)C(C)O)=C1CO","spectrum_id":"CCMSLIB00000847044","spectrum_index":993},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179979-02!6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxypyran-2-one","exact_mass":228.1,"inchikey":"BSXCHPRMOOSCRM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.08963,"smiles":"COC1=CC(=O)OC(C(C)C(C)O)=C1CO","spectrum_id":"CCMSLIB00000847047","spectrum_index":994},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169004-02!ethyl 2,3-dioxo-1,4-dihydroquinoline-4-carboxylate","exact_mass":233.069,"inchikey":"STEQTZOENAMHLZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":234.076324,"smiles":"CCOC(=O)C1C(=O)C(=O)NC2=C1C=CC=C2","spectrum_id":"CCMSLIB00000847048","spectrum_index":995},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169585-02!(2S,3S,4S)-3,4-dihydroxy-6-methoxy-3-methyl-7-methylidene-2-pentyl-2,4-dihydropyrano[2,3-c]pyrrol-5-one","exact_mass":297.158,"inchikey":"PQXBZFLVJGBOAD-VZJVUDMVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.16571,"smiles":"CCCCC[C@@H]1OC2=C([C@H](O)[C@]1(C)O)C(=O)N(OC)C2=C","spectrum_id":"CCMSLIB00000847050","spectrum_index":996},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380262-01!2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene","exact_mass":300.136,"inchikey":"IQOUQPBWTJSPDL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.144226,"smiles":"COC1=CC2=C(C(OC)=C1)C3=CC(OC)=C(OC)C=C3CC2","spectrum_id":"CCMSLIB00000847052","spectrum_index":997},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380262-01!2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene","exact_mass":300.136,"inchikey":"IQOUQPBWTJSPDL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.170959,"smiles":"COC1=CC2=C(C(OC)=C1)C3=CC(OC)=C(OC)C=C3CC2","spectrum_id":"CCMSLIB00000847054","spectrum_index":998},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380335-01!(3E,5S,8R,11E,13S,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione","exact_mass":312.157,"inchikey":"RBQNDQOKFICJGL-UTBFYLPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.191223,"smiles":"C[C@@H]1CC[C@H](O)\\C=C\\C(=O)O[C@H](C)CC[C@H](O)\\C=C\\C(=O)O1","spectrum_id":"CCMSLIB00000847057","spectrum_index":999},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169958-02![(2R,3R,4S,5R,6S)-3,5-dihydroxy-4-[(E)-3-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)prop-2-enoyl]oxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)prop-2-enoate","exact_mass":596.153,"inchikey":"UJKUPLFZLUIDFV-QEVJKITNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":597.15918,"smiles":"O[C@@H]1[C@@H](COC(=O)\\C=C\\C2(O)C=CC(=O)C=C2)O[C@@H](OC3=CC=C(O)C=C3)[C@H](O)[C@H]1OC(=O)\\C=C\\C4(O)C=CC(=O)C=C4","spectrum_id":"CCMSLIB00000847059","spectrum_index":1000},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169958-02![(2R,3R,4S,5R,6S)-3,5-dihydroxy-4-[(E)-3-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)prop-2-enoyl]oxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)prop-2-enoate","exact_mass":596.153,"inchikey":"UJKUPLFZLUIDFV-QEVJKITNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":614.183533,"smiles":"O[C@@H]1[C@@H](COC(=O)\\C=C\\C2(O)C=CC(=O)C=C2)O[C@@H](OC3=CC=C(O)C=C3)[C@H](O)[C@H]1OC(=O)\\C=C\\C4(O)C=CC(=O)C=C4","spectrum_id":"CCMSLIB00000847060","spectrum_index":1001},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380264-01!6-[6-[[10-acetyloxy-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylpropanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid","exact_mass":1264.61,"inchikey":"FFEZXYJBMGDYNX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1265.609375,"smiles":"CC(C)C(=O)OC1C(OC(C)=O)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C)C(OC7OC(C(O)C(OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C7O)C(O)=O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C12CO","spectrum_id":"CCMSLIB00000847062","spectrum_index":1002},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380264-01!6-[6-[[10-acetyloxy-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylpropanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid","exact_mass":1264.61,"inchikey":"FFEZXYJBMGDYNX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1282.634155,"smiles":"CC(C)C(=O)OC1C(OC(C)=O)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C)C(OC7OC(C(O)C(OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C7O)C(O)=O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C12CO","spectrum_id":"CCMSLIB00000847064","spectrum_index":1003},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384510-01!3-(2-hydroxy-4-methoxy-6-methylphenoxy)-5-methylbenzene-1,2-diol","exact_mass":276.1,"inchikey":"JGXPRDVSWGDODG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.094452,"smiles":"COC1=CC(C)=C(OC2=CC(C)=CC(O)=C2O)C(O)=C1","spectrum_id":"CCMSLIB00000847066","spectrum_index":1004},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384668-01!(E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one","exact_mass":328.131,"inchikey":"VWHYFMQKJYFLCC-DUXPYHPUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.168243,"smiles":"OC1=CC=C(CCC(=O)\\C=C\\CCC2=CC(O)=C(O)C=C2)C=C1O","spectrum_id":"CCMSLIB00000847068","spectrum_index":1005},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384657-01!2-(2,6-dimethoxyphenyl)-5,6-dimethoxychromen-4-one","exact_mass":342.11,"inchikey":"PBQMALAAFQMDSP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.121094,"smiles":"COC1=CC=C2OC(=CC(=O)C2=C1OC)C3=C(OC)C=CC=C3OC","spectrum_id":"CCMSLIB00000847070","spectrum_index":1006},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384657-01!2-(2,6-dimethoxyphenyl)-5,6-dimethoxychromen-4-one","exact_mass":342.11,"inchikey":"PBQMALAAFQMDSP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.103058,"smiles":"COC1=CC=C2OC(=CC(=O)C2=C1OC)C3=C(OC)C=CC=C3OC","spectrum_id":"CCMSLIB00000847072","spectrum_index":1007},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169961-02!4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid","exact_mass":358.214,"inchikey":"LSQRGMPMJOCLHX-GONBZBRSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.214386,"smiles":"CC(C)=CCC\\C(C)=C\\CC(O)C(\\C)=C\\CC1=C(O)C=CC(=C1)C(O)=O","spectrum_id":"CCMSLIB00000847074","spectrum_index":1008},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169961-02!4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid","exact_mass":358.214,"inchikey":"LSQRGMPMJOCLHX-GONBZBRSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.252167,"smiles":"CC(C)=CCC\\C(C)=C\\CC(O)C(\\C)=C\\CC1=C(O)C=CC(=C1)C(O)=O","spectrum_id":"CCMSLIB00000847077","spectrum_index":1009},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180317-02!1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl acetate","exact_mass":374.173,"inchikey":"UWNADLMLMRTPFL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":392.210602,"smiles":"CC(=O)OC(CCCCC1=CC(O)=C(O)C=C1)CCC2=CC(O)=C(O)C=C2","spectrum_id":"CCMSLIB00000847078","spectrum_index":1010},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169510-03!3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol","exact_mass":402.168,"inchikey":"MEIWPHMJWJAVIY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":420.205719,"smiles":"COC1=C(OC)C=C(C=C1)C2OCC3(O)C2COC3C4=CC(OC)=C(OC)C=C4","spectrum_id":"CCMSLIB00000847080","spectrum_index":1011},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180175-03!","exact_mass":456.142,"inchikey":"XJTXBUKLGQCZHC-XFQAVAEZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":474.179352,"smiles":"COC1=C(OC)C(OC)=C2C(C[C@@H]3[C@H](COC3=O)[C@@H](OC(C)=O)C4=C2C=C5OCOC5=C4)=C1","spectrum_id":"CCMSLIB00000847083","spectrum_index":1012},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179731-03!4-[5-[acetyl(hydroxy)amino]pentylamino]-2-[2-[5-[acetyl(hydroxy)amino]pentylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid","exact_mass":476.248,"inchikey":"BPEXJHGGARTCIR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":477.259583,"smiles":"CC(=O)N(O)CCCCCNC(=O)CC(O)(CC(=O)NCCCCCN(O)C(C)=O)C(O)=O","spectrum_id":"CCMSLIB00000847084","spectrum_index":1013},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179731-03!4-[5-[acetyl(hydroxy)amino]pentylamino]-2-[2-[5-[acetyl(hydroxy)amino]pentylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid","exact_mass":476.248,"inchikey":"BPEXJHGGARTCIR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":459.249512,"smiles":"CC(=O)N(O)CCCCCNC(=O)CC(O)(CC(=O)NCCCCCN(O)C(C)=O)C(O)=O","spectrum_id":"CCMSLIB00000847086","spectrum_index":1014},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179731-03!4-[5-[acetyl(hydroxy)amino]pentylamino]-2-[2-[5-[acetyl(hydroxy)amino]pentylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid","exact_mass":476.248,"inchikey":"BPEXJHGGARTCIR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.241364,"smiles":"CC(=O)N(O)CCCCCNC(=O)CC(O)(CC(=O)NCCCCCN(O)C(C)=O)C(O)=O","spectrum_id":"CCMSLIB00000847088","spectrum_index":1015},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385892-01!9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one","exact_mass":334.105,"inchikey":"PKRPFNXROFUNDE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.113831,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC(O)C(C)(C)O)C3=C1C=CO3","spectrum_id":"CCMSLIB00000847090","spectrum_index":1016},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385892-01!9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one","exact_mass":334.105,"inchikey":"PKRPFNXROFUNDE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":352.140564,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC(O)C(C)(C)O)C3=C1C=CO3","spectrum_id":"CCMSLIB00000847092","spectrum_index":1017},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385567-01!6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":384.106,"inchikey":"IKUQEFGEUOOPGY-QSDFBURQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.139954,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(OC)=C3OC(=O)C=CC3=C1","spectrum_id":"CCMSLIB00000847095","spectrum_index":1018},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347682-02!2,4-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol","exact_mass":392.199,"inchikey":"IWTNSIWIBPNECM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.206451,"smiles":"CC(C)=CCC1=CC2=C(OCC3C2OC4=CC(O)=CC=C34)C(CC=C(C)C)=C1O","spectrum_id":"CCMSLIB00000847096","spectrum_index":1019},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384835-02![4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoate","exact_mass":494.179,"inchikey":"FKMASXTUONWHBB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":512.212646,"smiles":"CC(O)C(O)(CC1=CC=C(O)C=C1)C(=O)OCC2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2","spectrum_id":"CCMSLIB00000847099","spectrum_index":1020},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381301-01![6-acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate","exact_mass":526.278,"inchikey":"DCZPAFXGNAJXHQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":544.311218,"smiles":"CC(C)CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1CC(OC(C)=O)C2(O)COC(=O)CC(C)C","spectrum_id":"CCMSLIB00000847103","spectrum_index":1021},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381302-01![5-(3-acetyloxy-4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-[4-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-4-hydroxy-6-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":1032.35,"inchikey":"ZCDMPZRGEBDHMG-MHWRWJLKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1033.348633,"smiles":"CC1OC(OC2C(O)C(O)COC2C3=C(O)C(C(=O)CCC4=CC=C(O)C=C4)=C(OC5OC(C)C(OC6OC(C)C(O)C(O)C6OC(C)=O)C(O)C5OC(=O)\\C=C\\C7=CC=C(O)C=C7)C=C3O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000847104","spectrum_index":1022},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381302-01![5-(3-acetyloxy-4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-[4-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-4-hydroxy-6-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":1032.35,"inchikey":"ZCDMPZRGEBDHMG-MHWRWJLKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1050.375122,"smiles":"CC1OC(OC2C(O)C(O)COC2C3=C(O)C(C(=O)CCC4=CC=C(O)C=C4)=C(OC5OC(C)C(OC6OC(C)C(O)C(O)C6OC(C)=O)C(O)C5OC(=O)\\C=C\\C7=CC=C(O)C=C7)C=C3O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000847107","spectrum_index":1023},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381357-01!methyl 3,4,5-trihydroxycyclohexene-1-carboxylate","exact_mass":188.068,"inchikey":"LSNUUAUXWJZSFD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.101852,"smiles":"COC(=O)C1=CC(O)C(O)C(O)C1","spectrum_id":"CCMSLIB00000847108","spectrum_index":1024},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381354-01!(Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid","exact_mass":198.089,"inchikey":"MQFYOYGIGPVWSJ-IUNAMMOKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.122131,"smiles":"C\\C=C(\\C)C(=O)OC\\C(=C\\C)C(O)=O","spectrum_id":"CCMSLIB00000847110","spectrum_index":1025},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381355-01!3-(4-methoxy-6-oxopyran-2-yl)butanoic acid","exact_mass":212.068,"inchikey":"GXBVESSBUINHIO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":213.07518,"smiles":"COC1=CC(=O)OC(=C1)C(C)CC(O)=O","spectrum_id":"CCMSLIB00000847112","spectrum_index":1026},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381356-01!2-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)propyl]phenol","exact_mass":328.167,"inchikey":"BHPGSJYBVOBTHV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.200897,"smiles":"COC1=C(O)C=CC(CC(C)OC2=C(OC)C=C(CC=C)C=C2)=C1","spectrum_id":"CCMSLIB00000847116","spectrum_index":1027},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385087-01!3-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":556.137,"inchikey":"QOPUSVUZHPIYER-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":557.141968,"smiles":"COC1=CC=C(C=C1)C2OC3=CC(O)=CC(O)=C3C(=O)C2C4C(OC5=CC(O)=CC(O)=C5C4=O)C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00000847119","spectrum_index":1028},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385094-01!2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one","exact_mass":756.211,"inchikey":"HKNBJSRIYRDSLB-MIORVHIISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.213379,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC(O)=C(O)C=C5)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847120","spectrum_index":1029},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384559-01!methyl 2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoate","exact_mass":255.074,"inchikey":"NQIZIOGKLJAGSU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":256.083405,"smiles":"COC(=O)C(CO)NC(=O)C1=C(O)C(O)=CC=C1","spectrum_id":"CCMSLIB00000847123","spectrum_index":1030},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384557-01!3-methoxy-2-(3-methylbut-2-enyl)-5-(2-phenylethyl)phenol","exact_mass":296.178,"inchikey":"ADDCNOCQPWDJSR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.187134,"smiles":"COC1=C(CC=C(C)C)C(O)=CC(CCC2=CC=CC=C2)=C1","spectrum_id":"CCMSLIB00000847124","spectrum_index":1031},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384556-01!4-methoxy-6-pentyl-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carboxylic acid","exact_mass":304.167,"inchikey":"ZGQOYZAYPNQWHQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.177063,"smiles":"CCCCCC1=C(C(O)=O)C2=C(CC(O2)C(C)=C)C(OC)=C1","spectrum_id":"CCMSLIB00000847126","spectrum_index":1032},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384558-01!2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-ol","exact_mass":341.163,"inchikey":"IDQUPXZJURZAGF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":342.172729,"smiles":"COC1=CC2=C3C(CC4=C(C(OC)=C(OC)C=C4)C3=C1O)N(C)CC2","spectrum_id":"CCMSLIB00000847128","spectrum_index":1033},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180103-03!methyl 5-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":404.132,"inchikey":"WSGPLSDARZNMCW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":422.166962,"smiles":"COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)C=C3CO","spectrum_id":"CCMSLIB00000847130","spectrum_index":1034},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169462-02!17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one","exact_mass":682.393,"inchikey":"MSHWJYPCLRLDEB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":683.40155,"smiles":"CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C","spectrum_id":"CCMSLIB00000847134","spectrum_index":1035},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169462-02!17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one","exact_mass":682.393,"inchikey":"MSHWJYPCLRLDEB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":665.392456,"smiles":"CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C","spectrum_id":"CCMSLIB00000847137","spectrum_index":1036},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169462-02!17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one","exact_mass":682.393,"inchikey":"MSHWJYPCLRLDEB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":700.428711,"smiles":"CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C","spectrum_id":"CCMSLIB00000847139","spectrum_index":1037},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385496-01!4,6-dimethoxyfuro[2,3-b]quinoline","exact_mass":229.074,"inchikey":"ALLQMEDAYDKMIO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.080307,"smiles":"COC1=CC=C2N=C3OC=CC3=C(OC)C2=C1","spectrum_id":"CCMSLIB00000847140","spectrum_index":1038},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385491-01!(E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide","exact_mass":251.131,"inchikey":"BOSUEWCVNFFBGV-VAWYXSNFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":252.137405,"smiles":"O=C(NCCC1=CC=CC=C1)\\C=C\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00000847142","spectrum_index":1039},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178041-02!(2R,3R)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":304.058,"inchikey":"VSJCDPYIMBSOKN-LSDHHAIUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.064484,"smiles":"O[C@@H]1[C@H](OC2=C(C=CC(O)=C2)C1=O)C3=CC(O)=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000847144","spectrum_index":1040},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178041-02!(2R,3R)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":304.058,"inchikey":"VSJCDPYIMBSOKN-LSDHHAIUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":322.09082,"smiles":"O[C@@H]1[C@H](OC2=C(C=CC(O)=C2)C1=O)C3=CC(O)=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000847146","spectrum_index":1041},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385490-01!7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one","exact_mass":324.136,"inchikey":"NLTOTZSPOYWSSP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.142761,"smiles":"CC(C)=CCC1=C(O)C=CC(=C1)C2CC(=O)C3=CC=C(O)C=C3O2","spectrum_id":"CCMSLIB00000847148","spectrum_index":1042},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169070-02!4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one","exact_mass":304.095,"inchikey":"PEWFWDOPJISUOK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.103912,"smiles":"CC(C)(O)C(O)COC1=C2C=CC(=O)OC2=CC3=C1C=CO3","spectrum_id":"CCMSLIB00000847150","spectrum_index":1043},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169070-02!4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one","exact_mass":304.095,"inchikey":"PEWFWDOPJISUOK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":322.130707,"smiles":"CC(C)(O)C(O)COC1=C2C=CC(=O)OC2=CC3=C1C=CO3","spectrum_id":"CCMSLIB00000847152","spectrum_index":1044},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169525-02!5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":434.121,"inchikey":"DLIKSSGEMUFQOK-RGHIGTIISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.13089,"smiles":"OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)CC(O3)C4=CC=C(O)C=C4)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847155","spectrum_index":1045},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180625-02!3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":542.121,"inchikey":"RNQBLQALVMHBKH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.130493,"smiles":"OC1=CC=C(C=C1)C2OC3=C(C(=O)C2C4C(OC5=C(C4=O)C(O)=CC(O)=C5)C6=CC=C(O)C=C6)C(O)=CC(O)=C3","spectrum_id":"CCMSLIB00000847156","spectrum_index":1046},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00344564-03!5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":608.174,"inchikey":"GZSOSUNBTXMUFQ-YFAPSIMESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.197876,"smiles":"COC1=CC=C(C=C1O)C2=CC(=O)C3=C(O2)C=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O","spectrum_id":"CCMSLIB00000847160","spectrum_index":1047},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00344564-03!5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":608.174,"inchikey":"GZSOSUNBTXMUFQ-YFAPSIMESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":626.225159,"smiles":"COC1=CC=C(C=C1O)C2=CC(=O)C3=C(O2)C=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O","spectrum_id":"CCMSLIB00000847162","spectrum_index":1048},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180525-02!5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":624.169,"inchikey":"UIDGLYUNOUKLBM-ACHADDEXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":625.178467,"smiles":"COC1=C(O)C=CC(=C1)C2=C(OC3OC(CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C(O)C(O)C3O)C(=O)C5=C(O2)C=C(O)C=C5O","spectrum_id":"CCMSLIB00000847164","spectrum_index":1049},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168884-02!2,6-dihydroxyanthracene-9,10-dione","exact_mass":240.042,"inchikey":"APAJFZPFBHMFQR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":241.047699,"smiles":"OC1=CC2=C(C=C1)C(=O)C3=C(C=CC(O)=C3)C2=O","spectrum_id":"CCMSLIB00000847168","spectrum_index":1050},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384926-01!1,8-dihydroxy-3-(hydroxymethyl)-6-methoxyanthracene-9,10-dione","exact_mass":300.063,"inchikey":"WJXSYUJKJSOJOG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.068787,"smiles":"COC1=CC2=C(C(=O)C3=C(C=C(CO)C=C3O)C2=O)C(O)=C1","spectrum_id":"CCMSLIB00000847170","spectrum_index":1051},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384950-01!19-hydroxy-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosanoic acid","exact_mass":506.345,"inchikey":"GYUCMTKUEQLBJW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":507.348633,"smiles":"CC(O)C(CCCCCCCCCCCCCCCCC(O)=O)OC1OC(CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000847172","spectrum_index":1052},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384950-01!19-hydroxy-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosanoic acid","exact_mass":506.345,"inchikey":"GYUCMTKUEQLBJW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":524.375,"smiles":"CC(O)C(CCCCCCCCCCCCCCCCC(O)=O)OC1OC(CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000847174","spectrum_index":1053},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384949-01!2-(hydroxymethyl)-6-(2,20,21-trihydroxydocosan-3-yloxy)oxane-3,4,5-triol","exact_mass":536.392,"inchikey":"IKQSIKPOUMLPKK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":537.395691,"smiles":"CC(O)C(O)CCCCCCCCCCCCCCCCC(OC1OC(CO)C(O)C(O)C1O)C(C)O","spectrum_id":"CCMSLIB00000847176","spectrum_index":1054},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384949-01!2-(hydroxymethyl)-6-(2,20,21-trihydroxydocosan-3-yloxy)oxane-3,4,5-triol","exact_mass":536.392,"inchikey":"IKQSIKPOUMLPKK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":554.422119,"smiles":"CC(O)C(O)CCCCCCCCCCCCCCCCC(OC1OC(CO)C(O)C(O)C1O)C(C)O","spectrum_id":"CCMSLIB00000847178","spectrum_index":1055},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384949-01!2-(hydroxymethyl)-6-(2,20,21-trihydroxydocosan-3-yloxy)oxane-3,4,5-triol","exact_mass":536.392,"inchikey":"IKQSIKPOUMLPKK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":578.422607,"smiles":"CC(O)C(O)CCCCCCCCCCCCCCCCC(OC1OC(CO)C(O)C(O)C1O)C(C)O","spectrum_id":"CCMSLIB00000847180","spectrum_index":1056},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384927-01!8-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one","exact_mass":592.179,"inchikey":"AOXGLIJSZLOQNZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.181702,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4OC5OC(C)C(O)C(O)C5O)=C3O2","spectrum_id":"CCMSLIB00000847182","spectrum_index":1057},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384927-01!8-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one","exact_mass":592.179,"inchikey":"AOXGLIJSZLOQNZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":615.166382,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4OC5OC(C)C(O)C(O)C5O)=C3O2","spectrum_id":"CCMSLIB00000847184","spectrum_index":1058},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384931-01!3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","exact_mass":918.264,"inchikey":"CBSLALAKOKYDBZ-SFGFBRIDSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":919.264832,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC(O)=C(O)C=C5)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847186","spectrum_index":1059},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380315-01!2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid","exact_mass":304.098,"inchikey":"OGTDCWCKOKLYSK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":322.133057,"smiles":"CC1CCC(=O)CC(CCC(=O)O1)SCC(O)C(O)=O","spectrum_id":"CCMSLIB00000847188","spectrum_index":1060},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380313-01!","exact_mass":332.09,"inchikey":"IHXLRPOTFALLKF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":350.124695,"smiles":"COC(=O)CC1CC23OC2(C(C)O1)C(=O)C4=C(O)C=CC=C4C3=O","spectrum_id":"CCMSLIB00000847190","spectrum_index":1061},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380316-01!(2Z)-2-[(E)-11-hydroxy-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid","exact_mass":412.282,"inchikey":"YOSAXDOXINGSJA-IEDLQYJHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.29129,"smiles":"CC(CC(C)C(C)O)CC(CO)CC(C)\\C=C(C)\\C=C(\\CC(C)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000847192","spectrum_index":1062},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380316-01!(2Z)-2-[(E)-11-hydroxy-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid","exact_mass":412.282,"inchikey":"YOSAXDOXINGSJA-IEDLQYJHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.275391,"smiles":"CC(CC(C)C(C)O)CC(CO)CC(C)\\C=C(C)\\C=C(\\CC(C)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000847194","spectrum_index":1063},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380291-01![(2R,3S,4S,5R,6S)-6-(3,4-dihydroxybenzoyl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate","exact_mass":452.095,"inchikey":"VNQNUULCMPXFER-XDCWJTEKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":470.13147,"smiles":"O[C@@H]1[C@@H](COC(=O)C2=CC(O)=C(O)C=C2)O[C@@H](OC(=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847196","spectrum_index":1064},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380318-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate","exact_mass":510.268,"inchikey":"VTEOBBGFBSSFNH-HIUXYCDVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":528.302612,"smiles":"CC(C)CCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847198","spectrum_index":1065},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179744-02!(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one","exact_mass":230.115,"inchikey":"YLHOHANRUSKHKO-YWVKMMECSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.122879,"smiles":"CCC[C@@H](O)[C@H](O)[C@@H]1CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00000847200","spectrum_index":1066},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179744-02!(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one","exact_mass":230.115,"inchikey":"YLHOHANRUSKHKO-YWVKMMECSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":248.149399,"smiles":"CCC[C@@H](O)[C@H](O)[C@@H]1CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00000847202","spectrum_index":1067},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095556-05!2-(4-methoxyphenyl)chromen-4-one","exact_mass":252.079,"inchikey":"OMICQBVLCVRFGN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.086212,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC=C3","spectrum_id":"CCMSLIB00000847204","spectrum_index":1068},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385584-01!1,6-dihydroxy-5-methoxyxanthen-9-one","exact_mass":258.053,"inchikey":"VTZRTHPAURPVRE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.059875,"smiles":"COC1=C(O)C=CC2=C1OC3=CC=CC(O)=C3C2=O","spectrum_id":"CCMSLIB00000847206","spectrum_index":1069},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385552-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate","exact_mass":386.137,"inchikey":"WXULKGXQMWVWMP-XGICHPGQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.144104,"smiles":"C\\C=C(\\C)C(=O)OC(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C(C)(C)O","spectrum_id":"CCMSLIB00000847208","spectrum_index":1070},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180811-02!6-methoxy-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":254.094,"inchikey":"YURQMHCZHLMHIB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.103149,"smiles":"COC1=CC2=C(OC(CC2=O)C3=CC=CC=C3)C=C1","spectrum_id":"CCMSLIB00000847210","spectrum_index":1071},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179941-03!3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one","exact_mass":346.142,"inchikey":"MQEOTHTYNCMSAN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.150818,"smiles":"COC1=CC(OC)=C(C(=O)CCC2=CC(OC)=C(OC)C=C2)C(O)=C1","spectrum_id":"CCMSLIB00000847212","spectrum_index":1072},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347787-02!2,3,8,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene","exact_mass":374.137,"inchikey":"VNXYHRRGEDIKJZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.145752,"smiles":"COC1=CC2=C(OC3C2COC4=CC(OC)=C(OC)C=C34)C(OC)=C1OC","spectrum_id":"CCMSLIB00000847214","spectrum_index":1073},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380091-01![2,6-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-3-en-1-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":470.142,"inchikey":"HRTKMOMTMZCGLF-QHHAFSJGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.152161,"smiles":"OCC1OC(OC2C=CC(O)C(OC(=O)\\C=C\\C3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000847216","spectrum_index":1074},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380091-01![2,6-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-3-en-1-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":470.142,"inchikey":"HRTKMOMTMZCGLF-QHHAFSJGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.179108,"smiles":"OCC1OC(OC2C=CC(O)C(OC(=O)\\C=C\\C3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000847218","spectrum_index":1075},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169670-02!(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":580.216,"inchikey":"WEKCEGQSIIQPAQ-IRBNZIFYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":598.250671,"smiles":"COC1=CC(=CC(OC)=C1O)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3C4=CC(OC)=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(OC)=C4","spectrum_id":"CCMSLIB00000847220","spectrum_index":1076},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid","exact_mass":718.153,"inchikey":"SNKFFCBZYFGCQN-FTNWOIIGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":719.16272,"smiles":"OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O","spectrum_id":"CCMSLIB00000847222","spectrum_index":1077},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380524-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid","exact_mass":718.153,"inchikey":"SNKFFCBZYFGCQN-FTNWOIIGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":736.187744,"smiles":"OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\C=C\\C2=CC=C(O)C3=C2C(C(O3)C4=CC=C(O)C(O)=C4)C(=O)O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O","spectrum_id":"CCMSLIB00000847224","spectrum_index":1078},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169461-03![(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":770.263,"inchikey":"YMWRMAOPKNYHMZ-LLVTZOIGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":771.265198,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]2OC(=O)\\C=C\\C5=CC(O)=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847225","spectrum_index":1079},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169461-03![(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":770.263,"inchikey":"YMWRMAOPKNYHMZ-LLVTZOIGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":788.298523,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]2OC(=O)\\C=C\\C5=CC(O)=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847228","spectrum_index":1080},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380090-01![(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":886.253,"inchikey":"WVHDCAPOGJJVCD-RSCZHDKASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":887.263794,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)=CC(O)=C4C3=O)C6=CC=C(O)C=C6)[C@H](O)[C@@H](O)[C@H]2OC(=O)\\C=C\\C7=CC=C(O)C=C7)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847229","spectrum_index":1081},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385577-01!3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one","exact_mass":252.173,"inchikey":"TXIKNNOOLCGADE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.167007,"smiles":"CC(C)=C1CC2C(CCC2(C)O)C(C)(O)CC1=O","spectrum_id":"CCMSLIB00000847231","spectrum_index":1082},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385111-01!(2R,3R)-3,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":286.084,"inchikey":"GUMFPOIJOXLCLA-JKSUJKDBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.089386,"smiles":"COC1=C(O)C=C2O[C@@H]([C@@H](O)C(=O)C2=C1)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000847233","spectrum_index":1083},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179960-02!5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one","exact_mass":342.11,"inchikey":"URSUMOWUGDXZHU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.115082,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(OC)C(OC)=C3OC","spectrum_id":"CCMSLIB00000847236","spectrum_index":1084},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180844-02!(E)-3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid","exact_mass":356.111,"inchikey":"FQWZGEBZILOCET-BJGSYIFTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.115326,"smiles":"COC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(\\C=C\\C(O)=O)C=C1","spectrum_id":"CCMSLIB00000847237","spectrum_index":1085},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180844-02!(E)-3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid","exact_mass":356.111,"inchikey":"FQWZGEBZILOCET-BJGSYIFTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.141846,"smiles":"COC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(\\C=C\\C(O)=O)C=C1","spectrum_id":"CCMSLIB00000847239","spectrum_index":1086},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385551-01!5-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-(3,4-dihydroxyphenyl)-7-hydroxychromen-2-one","exact_mass":580.143,"inchikey":"URQNORFSMLKGLE-JEQMPJCPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":581.144959,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OC3=C4C(OC(=O)C=C4C5=CC=C(O)C(O)=C5)=CC(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000847241","spectrum_index":1087},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385570-01![1,3,12-triacetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl] 2-hydroxy-3-methylbutanoate","exact_mass":656.356,"inchikey":"OWOJTAHJWVECHR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":674.383545,"smiles":"CC(C)C(O)C(=O)OC1CC2C(C)(C)C(CC(OC(C)=O)C2(C)C3CC(OC(C)=O)C4(C)C(CC=C4C13C)C5=COC=C5)OC(C)=O","spectrum_id":"CCMSLIB00000847244","spectrum_index":1088},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381282-01![5-hydroxy-2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-4-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)oxan-3-yl] decanoate","exact_mass":706.378,"inchikey":"KSNWZOGDNCZVEN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":724.404419,"smiles":"CCCCCCCCCC(=O)OC1C(OC2(CO)OC(CO)C(O)C2OC(=O)C(C)C)OC(COC(=O)C(C)C)C(O)C1OC(=O)C(C)C","spectrum_id":"CCMSLIB00000847246","spectrum_index":1089},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380767-01!1,2,3-trimethoxy-5-[2-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzene","exact_mass":372.194,"inchikey":"KKYNVNUZEODDKF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.199829,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(CC=C)C=C2)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000847248","spectrum_index":1090},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380767-01!1,2,3-trimethoxy-5-[2-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzene","exact_mass":372.194,"inchikey":"KKYNVNUZEODDKF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":390.226807,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(CC=C)C=C2)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000847249","spectrum_index":1091},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347585-02!(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate","exact_mass":382.236,"inchikey":"GFMGOVRWOOAPMN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.231598,"smiles":"CCCCCC(=O)OC1C=C2COC(O)C2(O)C3(C)C(O)CCC(C)(C)C13","spectrum_id":"CCMSLIB00000847252","spectrum_index":1092},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347585-02!(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate","exact_mass":382.236,"inchikey":"GFMGOVRWOOAPMN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.268555,"smiles":"CCCCCC(=O)OC1C=C2COC(O)C2(O)C3(C)C(O)CCC(C)(C)C13","spectrum_id":"CCMSLIB00000847254","spectrum_index":1093},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380766-01!1,5,8-trihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one","exact_mass":422.085,"inchikey":"IOJCAEBIAPRCCI-FJMCMGCSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.090302,"smiles":"OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)C4=C(O)C=CC(O)=C4O3)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847255","spectrum_index":1094},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180205-02!5-hydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one","exact_mass":562.169,"inchikey":"GJBRADPPUCQNGC-PQURZFQKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.17395,"smiles":"C[C@@H]1O[C@@H](OC2=CC=C(C=C2)C3=COC4=C(C(O)=CC(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)=C4)C3=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847257","spectrum_index":1095},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180205-02!5-hydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one","exact_mass":562.169,"inchikey":"GJBRADPPUCQNGC-PQURZFQKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":585.142029,"smiles":"C[C@@H]1O[C@@H](OC2=CC=C(C=C2)C3=COC4=C(C(O)=CC(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)=C4)C3=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847259","spectrum_index":1096},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169223-03!(2S)-2-(2-hydroxypropan-2-yl)-6-(2-methylbut-3-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one","exact_mass":314.152,"inchikey":"JCDLLLXYAICSQV-INIZCTEOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.157959,"smiles":"CC(C)(O)[C@@H]1CC2=C(O1)C=C3OC(=O)C(=CC3=C2)C(C)(C)C=C","spectrum_id":"CCMSLIB00000847261","spectrum_index":1097},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180103-02!methyl 5-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":404.132,"inchikey":"WSGPLSDARZNMCW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":422.16394,"smiles":"COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)C=C3CO","spectrum_id":"CCMSLIB00000847263","spectrum_index":1098},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380811-01!3-(3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid","exact_mass":450.154,"inchikey":"GVRDYBOOMKTYKH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.159485,"smiles":"CC1(C)N(O)C2N(C1=O)C3=CC=CC=C3C2(O)CC(N4C=NC5=C(C=CC=C5)C4=O)C(O)=O","spectrum_id":"CCMSLIB00000847267","spectrum_index":1099},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380811-01!3-(3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid","exact_mass":450.154,"inchikey":"GVRDYBOOMKTYKH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.149048,"smiles":"CC1(C)N(O)C2N(C1=O)C3=CC=CC=C3C2(O)CC(N4C=NC5=C(C=CC=C5)C4=O)C(O)=O","spectrum_id":"CCMSLIB00000847269","spectrum_index":1100},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380806-01!6-(diaminomethylideneamino)-2-[[(4E,6E,12E,14E)-3-hydroxy-2-(hydroxymethyl)-8,10,16-trimethyloctadeca-4,6,12,14-tetraenoyl]amino]hexanoic acid","exact_mass":534.378,"inchikey":"QOXHBQOXXZSKON-MBGQFZTNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.38324,"smiles":"CCC(C)\\C=C\\C=C\\CC(C)CC(C)\\C=C\\C=C\\C(O)C(CO)C(=O)NC(CCCCNC(N)=N)C(O)=O","spectrum_id":"CCMSLIB00000847271","spectrum_index":1101},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179841-03!3-[(3S,5R,10S,13R,14S,17S)-14-hydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","exact_mass":858.425,"inchikey":"GZVMBXDQUQRICT-OZPZHZNKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":876.455322,"smiles":"CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CCC4C3CC[C@]5(C)[C@@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@@H](C)[C@@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000847274","spectrum_index":1102},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380590-01!(2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one","exact_mass":234.089,"inchikey":"BCRRDBKZXSRMHL-SSDOTTSWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.095688,"smiles":"COC1=C2C(=O)C[C@@H](C)OC2=C3CCOC3=C1","spectrum_id":"CCMSLIB00000847275","spectrum_index":1103},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380586-01!methyl 4,5,6-trihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxycyclohexene-1-carboxylate","exact_mass":288.085,"inchikey":"VTWHFQDOQSSIID-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":306.117065,"smiles":"COC(=O)C(=C)OC1C=C(C(O)C(O)C1O)C(=O)OC","spectrum_id":"CCMSLIB00000847277","spectrum_index":1104},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380355-02!(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione","exact_mass":342.131,"inchikey":"MJMMUATWVTYSFD-YDFGWWAZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":360.164032,"smiles":"CC1CC(=O)OC(C)C(O)\\C=C\\C(=O)OC(C)C(O)\\C=C\\C(=O)O1","spectrum_id":"CCMSLIB00000847279","spectrum_index":1105},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169067-03!","exact_mass":400.116,"inchikey":"MTCOVRSZCNNQLP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.121765,"smiles":"COC1=C2OC3(C)CCCC(O3)C2=C(O)C4=C1OC5=CC=C(O)C(OC)=C5C4=O","spectrum_id":"CCMSLIB00000847283","spectrum_index":1106},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380588-01!1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihydroxy-4,6-dimethyloxan-2-yl)naphtho[1,2-c]isochromen-6-one","exact_mass":496.173,"inchikey":"BJPYMDSMDBCKEP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":497.178955,"smiles":"COC1=CC(C)=CC2=C1C3=C(OC2=O)C4=C(C=CC(O)=C4C(OC)=C3)C5OC(C)C(O)C(C)(O)C5O","spectrum_id":"CCMSLIB00000847285","spectrum_index":1107},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380460-01!5-hydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":522.137,"inchikey":"CVEQISBYHSILGF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.142395,"smiles":"COC1=CC(OC)=C(O)C=C1C2=COC3=CC(OC4OC(CO)C(O)C(O)C4O)=C(OC)C(O)=C3C2=O","spectrum_id":"CCMSLIB00000847287","spectrum_index":1108},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380464-01!3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":772.206,"inchikey":"KVODFZNXODDECO-LSSGXCBUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":773.209839,"smiles":"C[C@@H]1O[C@@H](OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C5=CC(O)=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000847289","spectrum_index":1109},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381029-01!1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one","exact_mass":238.121,"inchikey":"GRQAKVFPDMDUIF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.125473,"smiles":"CCCC(=O)C1=C(OC)C=C(O)C(CC)=C1O","spectrum_id":"CCMSLIB00000847292","spectrum_index":1110},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169993-02!2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g]chromen-4-one","exact_mass":290.079,"inchikey":"FKCYENFBFZUSDP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.083374,"smiles":"COC1=C2C(O)=C3C(=O)CC(C)(O)OC3=CC2=CC(O)=C1","spectrum_id":"CCMSLIB00000847293","spectrum_index":1111},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169993-02!2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g]chromen-4-one","exact_mass":290.079,"inchikey":"FKCYENFBFZUSDP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.073425,"smiles":"COC1=C2C(O)=C3C(=O)CC(C)(O)OC3=CC2=CC(O)=C1","spectrum_id":"CCMSLIB00000847295","spectrum_index":1112},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid","exact_mass":356.22,"inchikey":"WKPLWDFQTVJLIX-WFYKWJGLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.223938,"smiles":"COC(=O)C(CO)C(O)CCCCC(C)C\\C(C)=C\\C(C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000847297","spectrum_index":1113},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid","exact_mass":356.22,"inchikey":"WKPLWDFQTVJLIX-WFYKWJGLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.213409,"smiles":"COC(=O)C(CO)C(O)CCCCC(C)C\\C(C)=C\\C(C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000847299","spectrum_index":1114},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid","exact_mass":356.22,"inchikey":"WKPLWDFQTVJLIX-WFYKWJGLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.250183,"smiles":"COC(=O)C(CO)C(O)CCCCC(C)C\\C(C)=C\\C(C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000847301","spectrum_index":1115},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid","exact_mass":356.22,"inchikey":"WKPLWDFQTVJLIX-WFYKWJGLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.205872,"smiles":"COC(=O)C(CO)C(O)CCCCC(C)C\\C(C)=C\\C(C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000847303","spectrum_index":1116},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347816-02!","exact_mass":518.252,"inchikey":"CLYLZXCYEKJUEK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.279724,"smiles":"CC1OC(=O)C2C3(C)C(CC4C(C)(C3CC(=C)C2(C)C1=O)C(CC(=O)OC4(C)C)OC(C)=O)OC(C)=O","spectrum_id":"CCMSLIB00000847305","spectrum_index":1117},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180141-02!2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":582.231,"inchikey":"PQQRNPDHSJDAGV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":583.233337,"smiles":"COC1=CC(=CC(OC)=C1O)C2C(COC3OC(CO)C(O)C(O)C3O)C(CO)CC4=C2C(OC)=C(O)C(OC)=C4","spectrum_id":"CCMSLIB00000847307","spectrum_index":1118},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180141-02!2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":582.231,"inchikey":"PQQRNPDHSJDAGV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":600.258301,"smiles":"COC1=CC(=CC(OC)=C1O)C2C(COC3OC(CO)C(O)C(O)C3O)C(CO)CC4=C2C(OC)=C(O)C(OC)=C4","spectrum_id":"CCMSLIB00000847309","spectrum_index":1119},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169759-02![(2S,3R,4R,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 3,4,5-trihydroxybenzoate","exact_mass":600.112,"inchikey":"JFLAOPHOUGDFGC-ILADGKKJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":601.112061,"smiles":"C[C@@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C4=CC(O)=C(O)C=C4)[C@H](O)[C@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)[C@H]1O","spectrum_id":"CCMSLIB00000847311","spectrum_index":1120},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385662-01!5,6-dimethoxy-2-(2-methoxyphenyl)chromen-4-one","exact_mass":312.1,"inchikey":"IQWXFMQSQNSHKI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.105072,"smiles":"COC1=CC=C2OC(=CC(=O)C2=C1OC)C3=CC=CC=C3OC","spectrum_id":"CCMSLIB00000847313","spectrum_index":1121},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385613-01!1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-9-ol","exact_mass":327.147,"inchikey":"GVVXPMORGFYVOO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":328.151825,"smiles":"COC1=CC2=C(CC3NCCC4=CC(OC)=C(OC)C2=C34)C=C1O","spectrum_id":"CCMSLIB00000847316","spectrum_index":1122},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347722-02!(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid","exact_mass":396.288,"inchikey":"NNPPLRJHBQPBAQ-UKRBZAIKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.29245,"smiles":"CCC(C)CC(C)CC(CO)CC(C)\\C=C(C)\\C=C(\\CC(C)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000847318","spectrum_index":1123},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347722-02!(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid","exact_mass":396.288,"inchikey":"NNPPLRJHBQPBAQ-UKRBZAIKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.282471,"smiles":"CCC(C)CC(C)CC(CO)CC(C)\\C=C(C)\\C=C(\\CC(C)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000847320","spectrum_index":1124},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347722-02!(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid","exact_mass":396.288,"inchikey":"NNPPLRJHBQPBAQ-UKRBZAIKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":414.318451,"smiles":"CCC(C)CC(C)CC(CO)CC(C)\\C=C(C)\\C=C(\\CC(C)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000847321","spectrum_index":1125},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095300-04!5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","exact_mass":400.116,"inchikey":"YVCVYCSAAZQOJI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.119751,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)C(O)C4=C2C=C5OCOC5=C4","spectrum_id":"CCMSLIB00000847323","spectrum_index":1126},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095300-04!5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","exact_mass":400.116,"inchikey":"YVCVYCSAAZQOJI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.110229,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)C(O)C4=C2C=C5OCOC5=C4","spectrum_id":"CCMSLIB00000847326","spectrum_index":1127},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095300-04!5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","exact_mass":400.116,"inchikey":"YVCVYCSAAZQOJI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.145935,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)C(O)C4=C2C=C5OCOC5=C4","spectrum_id":"CCMSLIB00000847327","spectrum_index":1128},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385661-01!3,5,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one","exact_mass":432.142,"inchikey":"AFQWYRUBZJYCIF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.146576,"smiles":"COC1=CC(=CC(OC)=C1OC)C2=C(OC)C(=O)C3=C(OC)C=C(OC)C(OC)=C3O2","spectrum_id":"CCMSLIB00000847330","spectrum_index":1129},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385661-01!3,5,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one","exact_mass":432.142,"inchikey":"AFQWYRUBZJYCIF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.103088,"smiles":"COC1=CC(=CC(OC)=C1OC)C2=C(OC)C(=O)C3=C(OC)C=C(OC)C(OC)=C3O2","spectrum_id":"CCMSLIB00000847331","spectrum_index":1130},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385604-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","exact_mass":594.158,"inchikey":"FIAAVMJLAGNUKW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.161194,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C4OC(=CC(=O)C4=C2O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000847333","spectrum_index":1131},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384609-01!(2R,3S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","exact_mass":274.084,"inchikey":"RSYUFYQTACJFML-DZGCQCFKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.091919,"smiles":"O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000847337","spectrum_index":1132},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180383-02!3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one","exact_mass":374.137,"inchikey":"ZITBJWXLODLDRH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":392.170532,"smiles":"COC1=C(O)C=CC(CC2COC(=O)C2(O)CC3=CC(OC)=C(O)C=C3)=C1","spectrum_id":"CCMSLIB00000847339","spectrum_index":1133},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384596-01!4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid","exact_mass":538.111,"inchikey":"UJZQBMQZMKFSRV-XBXARRHUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":556.14624,"smiles":"OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\\C=C\\C2=C3C(C(OC3=C(O)C=C2)C4=CC=C(O)C(O)=C4)C(O)=O","spectrum_id":"CCMSLIB00000847341","spectrum_index":1134},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380514-01!(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":592.273,"inchikey":"UTWYSZSEHYRTLP-UDGGRRETSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.279968,"smiles":"CCCCCCCCCC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=CC(O)=C1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000847343","spectrum_index":1135},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380514-01!(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":592.273,"inchikey":"UTWYSZSEHYRTLP-UDGGRRETSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":610.307739,"smiles":"CCCCCCCCCC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=CC(O)=C1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000847345","spectrum_index":1136},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384589-01![(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","exact_mass":638.221,"inchikey":"OFNCUIXPAFLTJZ-PYQKQGIYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":639.227661,"smiles":"COC1=CC(\\C=C\\C(=O)OC[C@H]2O[C@@H](OCCC3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]2O)=CC=C1O","spectrum_id":"CCMSLIB00000847348","spectrum_index":1137},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384589-01![(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","exact_mass":638.221,"inchikey":"OFNCUIXPAFLTJZ-PYQKQGIYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":656.255005,"smiles":"COC1=CC(\\C=C\\C(=O)OC[C@H]2O[C@@H](OCCC3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]2O)=CC=C1O","spectrum_id":"CCMSLIB00000847349","spectrum_index":1138},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180704-02!(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,8R,10R,12R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":1078.59,"inchikey":"NODILNFGTFIURN-VKZNSASESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1079.601196,"smiles":"CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C6CC[C@@]45C","spectrum_id":"CCMSLIB00000847351","spectrum_index":1139},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180704-02!(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,8R,10R,12R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":1078.59,"inchikey":"NODILNFGTFIURN-VKZNSASESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1061.589478,"smiles":"CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C6CC[C@@]45C","spectrum_id":"CCMSLIB00000847353","spectrum_index":1140},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180704-02!(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,8R,10R,12R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":1078.59,"inchikey":"NODILNFGTFIURN-VKZNSASESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1096.626587,"smiles":"CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C6CC[C@@]45C","spectrum_id":"CCMSLIB00000847355","spectrum_index":1141},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381444-01!5-(hydroxymethyl)-6-(1-hydroxypropyl)-4-methoxypyran-2-one","exact_mass":214.084,"inchikey":"JVACJZGMLHSRGA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":215.090637,"smiles":"CCC(O)C1=C(CO)C(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00000847357","spectrum_index":1142},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381449-01!3-(3-chloro-1,2-dihydroxypropyl)-8-hydroxy-6-methoxyisochromen-1-one","exact_mass":300.04,"inchikey":"FJYFQXJJSFYJQV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.046722,"smiles":"COC1=CC(O)=C2C(=O)OC(=CC2=C1)C(O)C(O)CCl","spectrum_id":"CCMSLIB00000847359","spectrum_index":1143},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381449-01!3-(3-chloro-1,2-dihydroxypropyl)-8-hydroxy-6-methoxyisochromen-1-one","exact_mass":300.04,"inchikey":"FJYFQXJJSFYJQV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.073059,"smiles":"COC1=CC(O)=C2C(=O)OC(=CC2=C1)C(O)C(O)CCl","spectrum_id":"CCMSLIB00000847361","spectrum_index":1144},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381446-01!6,7-dihydroxy-5-[3-hydroxy-2-(methoxymethyl)-5-methylphenoxy]-4-methyl-3H-2-benzofuran-1-one","exact_mass":346.105,"inchikey":"LQEYIIJYBJCNKH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.137878,"smiles":"COCC1=C(OC2=C(O)C(O)=C3C(=O)OCC3=C2C)C=C(C)C=C1O","spectrum_id":"CCMSLIB00000847364","spectrum_index":1145},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384578-01!5-[5-(acetyloxymethyl)-1,2,4a-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid","exact_mass":378.241,"inchikey":"OLDFOHABNQZMKB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.247131,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2COC(C)=O)CC(O)=O","spectrum_id":"CCMSLIB00000847365","spectrum_index":1146},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384578-01!5-[5-(acetyloxymethyl)-1,2,4a-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid","exact_mass":378.241,"inchikey":"OLDFOHABNQZMKB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.22937,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2COC(C)=O)CC(O)=O","spectrum_id":"CCMSLIB00000847368","spectrum_index":1147},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095444-05!2,2-dimethylpyrano[3,2-g]chromen-8-one","exact_mass":228.079,"inchikey":"QOTBQNVNUBKJMS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.086639,"smiles":"CC1(C)OC2=C(C=C1)C=C3C=CC(=O)OC3=C2","spectrum_id":"CCMSLIB00000847371","spectrum_index":1148},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095329-05!5-hydroxy-2-phenylchromen-4-one","exact_mass":238.063,"inchikey":"IYBLVRRCNVHZQJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.070511,"smiles":"OC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000847373","spectrum_index":1149},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00142613-04!5-methoxy-2-phenylchromen-4-one","exact_mass":252.079,"inchikey":"XRQSPUXANRGDAV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.087051,"smiles":"COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000847375","spectrum_index":1150},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385939-01!3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol","exact_mass":256.11,"inchikey":"ULMJJZHWFJYIMM-ONEGZZNKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":257.118103,"smiles":"COC1=CC=C(\\C=C\\C2=CC(OC)=CC(O)=C2)C=C1","spectrum_id":"CCMSLIB00000847377","spectrum_index":1151},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168876-02!3-hydroxy-6-methoxy-2-phenylchromen-4-one","exact_mass":268.074,"inchikey":"OGURJSOPVFCIOO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.081879,"smiles":"COC1=CC2=C(OC(=C(O)C2=O)C3=CC=CC=C3)C=C1","spectrum_id":"CCMSLIB00000847379","spectrum_index":1152},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385938-01!7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":270.089,"inchikey":"QQQCWVDPMPFUGF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.097534,"smiles":"COC1=C2C(=O)CC(OC2=CC(O)=C1)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000847382","spectrum_index":1153},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381347-01!5-acetamido-4-oxohexanoic acid","exact_mass":187.084,"inchikey":"QSRUAKBTZTXXLM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":188.091232,"smiles":"CC(NC(C)=O)C(=O)CCC(O)=O","spectrum_id":"CCMSLIB00000847386","spectrum_index":1154},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381346-01!3-(2,4-dihydroxypentyl)-8-hydroxy-6-methoxyisochromen-1-one","exact_mass":294.11,"inchikey":"CXVPYCSNJZJTRF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.11731,"smiles":"COC1=CC(O)=C2C(=O)OC(CC(O)CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00000847387","spectrum_index":1155},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381346-01!3-(2,4-dihydroxypentyl)-8-hydroxy-6-methoxyisochromen-1-one","exact_mass":294.11,"inchikey":"CXVPYCSNJZJTRF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":312.143982,"smiles":"COC1=CC(O)=C2C(=O)OC(CC(O)CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00000847389","spectrum_index":1156},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385080-01!4-[(E)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one","exact_mass":502.241,"inchikey":"IDPRQTHSAHGSDW-BTOUMFIXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.247467,"smiles":"CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2OC[C@](O)(CO)[C@H]2O)\\C=C\\C3C(C)=CC(=O)CC3(C)C","spectrum_id":"CCMSLIB00000847391","spectrum_index":1157},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385080-01!4-[(E)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one","exact_mass":502.241,"inchikey":"IDPRQTHSAHGSDW-BTOUMFIXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":520.27478,"smiles":"CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2OC[C@](O)(CO)[C@H]2O)\\C=C\\C3C(C)=CC(=O)CC3(C)C","spectrum_id":"CCMSLIB00000847393","spectrum_index":1158},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385081-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-(4-methoxyphenyl)chromen-4-one","exact_mass":562.169,"inchikey":"PJHJORWYAZKNAL-MFYRMPRMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.174377,"smiles":"COC1=CC=C(C=C1)C2=COC3=CC(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3C2=O","spectrum_id":"CCMSLIB00000847395","spectrum_index":1159},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00091915-03![(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":786.258,"inchikey":"FSBUXLDOLNLABB-ISAKITKMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":787.262024,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC=C(O)C(O)=C3)O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]2OC(=O)\\C=C\\C5=CC(O)=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847397","spectrum_index":1160},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00091915-03![(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":786.258,"inchikey":"FSBUXLDOLNLABB-ISAKITKMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":804.287964,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC=C(O)C(O)=C3)O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]2OC(=O)\\C=C\\C5=CC(O)=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847399","spectrum_index":1161},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384951-01!2-(6-hydroxy-6-methylheptyl)-2H-furan-5-one","exact_mass":212.141,"inchikey":"RFEPDQFPTNCOBK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":195.136978,"smiles":"CC(C)(O)CCCCCC1OC(=O)C=C1","spectrum_id":"CCMSLIB00000847401","spectrum_index":1162},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384951-01!2-(6-hydroxy-6-methylheptyl)-2H-furan-5-one","exact_mass":212.141,"inchikey":"RFEPDQFPTNCOBK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.173553,"smiles":"CC(C)(O)CCCCCC1OC(=O)C=C1","spectrum_id":"CCMSLIB00000847404","spectrum_index":1163},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347781-02!5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one","exact_mass":336.1,"inchikey":"YXOATFKTEDZPFL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.105377,"smiles":"CC1(C)OC2=CC3=C(C(=O)C=C(O3)C4=CC=C(O)C=C4)C(O)=C2C=C1","spectrum_id":"CCMSLIB00000847405","spectrum_index":1164},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347781-02!5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one","exact_mass":336.1,"inchikey":"YXOATFKTEDZPFL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":354.131958,"smiles":"CC1(C)OC2=CC3=C(C(=O)C=C(O3)C4=CC=C(O)C=C4)C(O)=C2C=C1","spectrum_id":"CCMSLIB00000847407","spectrum_index":1165},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384974-01!4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol","exact_mass":404.184,"inchikey":"CAUANPLJFMVCHO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.188812,"smiles":"COC1=CC(=CC(OC)=C1O)C2OC(C(C)C2C)C3=CC(OC)=C(O)C(OC)=C3","spectrum_id":"CCMSLIB00000847409","spectrum_index":1166},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384974-01!4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol","exact_mass":404.184,"inchikey":"CAUANPLJFMVCHO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.178223,"smiles":"COC1=CC(=CC(OC)=C1O)C2OC(C(C)C2C)C3=CC(OC)=C(O)C(OC)=C3","spectrum_id":"CCMSLIB00000847411","spectrum_index":1167},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384974-01!4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol","exact_mass":404.184,"inchikey":"CAUANPLJFMVCHO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":422.214447,"smiles":"COC1=CC(=CC(OC)=C1O)C2OC(C(C)C2C)C3=CC(OC)=C(O)C(OC)=C3","spectrum_id":"CCMSLIB00000847413","spectrum_index":1168},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384974-01!4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol","exact_mass":404.184,"inchikey":"CAUANPLJFMVCHO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":446.215485,"smiles":"COC1=CC(=CC(OC)=C1O)C2OC(C(C)C2C)C3=CC(OC)=C(O)C(OC)=C3","spectrum_id":"CCMSLIB00000847415","spectrum_index":1169},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384963-01!7-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one","exact_mass":420.157,"inchikey":"PSEBCAMYGWGJMH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.162262,"smiles":"CC(C)=CCC1=C2OC=C(C(=O)C2=C(O)C3=C1OC(C)(C)C=C3)C4=CC=C(O)C(O)=C4","spectrum_id":"CCMSLIB00000847417","spectrum_index":1170},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384963-01!7-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one","exact_mass":420.157,"inchikey":"PSEBCAMYGWGJMH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.15213,"smiles":"CC(C)=CCC1=C2OC=C(C(=O)C2=C(O)C3=C1OC(C)(C)C=C3)C4=CC=C(O)C(O)=C4","spectrum_id":"CCMSLIB00000847419","spectrum_index":1171},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347845-02![(2R,3S,4S,5S)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":468.09,"inchikey":"IGKWMHUOBKCUQU-LTCOOKNTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.095245,"smiles":"O[C@H]1[C@H](O)[C@H](CO[C@@H]1COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(=O)C3=CC(O)=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000847422","spectrum_index":1172},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384936-01!2-(3,4-dihydroxyphenyl)ethyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-hydroxy-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-3-carboxylate","exact_mass":516.163,"inchikey":"AIPGFMVNUMXXEM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.166199,"smiles":"OC1OCC2OC=C(C(CC(=O)OCCC3=CC(O)=C(O)C=C3)C12)C(=O)OCCC4=CC=C(O)C(O)=C4","spectrum_id":"CCMSLIB00000847424","spectrum_index":1173},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384936-01!2-(3,4-dihydroxyphenyl)ethyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-hydroxy-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-3-carboxylate","exact_mass":516.163,"inchikey":"AIPGFMVNUMXXEM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.157288,"smiles":"OC1OCC2OC=C(C(CC(=O)OCCC3=CC(O)=C(O)C=C3)C12)C(=O)OCCC4=CC=C(O)C(O)=C4","spectrum_id":"CCMSLIB00000847426","spectrum_index":1174},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384936-01!2-(3,4-dihydroxyphenyl)ethyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-hydroxy-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-3-carboxylate","exact_mass":516.163,"inchikey":"AIPGFMVNUMXXEM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":534.193237,"smiles":"OC1OCC2OC=C(C(CC(=O)OCCC3=CC(O)=C(O)C=C3)C12)C(=O)OCCC4=CC=C(O)C(O)=C4","spectrum_id":"CCMSLIB00000847427","spectrum_index":1175},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384960-01!5,7-dihydroxy-6-[(2S,3R,4R,6R)-4-hydroxy-6-methyl-5-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":560.153,"inchikey":"LCQVQAZLYBJMGJ-LUSKEGLYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.157043,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)C(=O)[C@@H](C)O[C@H]2C3=C(O)C=C4OC(=CC(=O)C4=C3O)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847429","spectrum_index":1176},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384490-01!7-hydroxy-3-[(4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one","exact_mass":284.105,"inchikey":"UCRZVWKJRYPHMU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.113892,"smiles":"COC1=CC=C(CC2COC3=C(C=CC(O)=C3)C2=O)C=C1","spectrum_id":"CCMSLIB00000847431","spectrum_index":1177},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016480-11!3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":286.048,"inchikey":"IYRMWMYZSQPJKC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.057037,"smiles":"OC1=CC=C(C=C1)C2=C(O)C(=O)C3=C(O2)C=C(O)C=C3O","spectrum_id":"CCMSLIB00000847433","spectrum_index":1178},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00336197-02!(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one","exact_mass":294.126,"inchikey":"IOZVKDXPBWBUKY-LQIBPGRFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.134857,"smiles":"COC1=CC=C(C=C1)\\C=C\\C(=O)\\C=C\\C2=CC=C(OC)C=C2","spectrum_id":"CCMSLIB00000847435","spectrum_index":1179},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169297-02!5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one","exact_mass":314.079,"inchikey":"ZIIAJIWLQUVGHB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.088165,"smiles":"COC1=C(OC)C(O)=C2C(=O)C=C(OC2=C1)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000847437","spectrum_index":1180},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384491-01!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-dimethoxychromen-4-one","exact_mass":346.069,"inchikey":"GLMWHQIFJIURES-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.078369,"smiles":"COC1=C(O)C(OC)=C2OC(=CC(=O)C2=C1O)C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000847438","spectrum_index":1181},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385688-01!3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","exact_mass":726.201,"inchikey":"ULOAWPSYNSJWGI-FLSZNSENSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":727.210083,"smiles":"C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5OC[C@](O)(CO)[C@H]5O)=C(OC3=C2)C6=CC=C(O)C=C6)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847439","spectrum_index":1182},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385688-01!3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","exact_mass":726.201,"inchikey":"ULOAWPSYNSJWGI-FLSZNSENSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":749.189209,"smiles":"C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5OC[C@](O)(CO)[C@H]5O)=C(OC3=C2)C6=CC=C(O)C=C6)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847440","spectrum_index":1183},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385715-01!","exact_mass":844.482,"inchikey":"NUJWBDOJBSCJEG-APIXVDCNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":827.47937,"smiles":"C[C@H](CC[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C)[C@H]2CC[C@@]3(C)[C@@H]4CCC5[C@]6(C[C@@]46CC[C@]23C)[C@@H](O)C[C@H](O)[C@@]5(C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000847441","spectrum_index":1184},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385715-01!","exact_mass":844.482,"inchikey":"NUJWBDOJBSCJEG-APIXVDCNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":862.51532,"smiles":"C[C@H](CC[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C)[C@H]2CC[C@@]3(C)[C@@H]4CCC5[C@]6(C[C@@]46CC[C@]23C)[C@@H](O)C[C@H](O)[C@@]5(C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000847442","spectrum_index":1185},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169064-02!N-[2-(4-hydroxyphenyl)ethyl]acetamide","exact_mass":179.095,"inchikey":"ATDWJOOPFDQZNK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":180.101685,"smiles":"CC(=O)NCCC1=CC=C(O)C=C1","spectrum_id":"CCMSLIB00000847443","spectrum_index":1186},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381307-01!1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]butan-1-one","exact_mass":254.115,"inchikey":"PTBQWWHUOMDVFS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.122742,"smiles":"CCCC(=O)C1=C(OC)C=C(O)C(CCO)=C1O","spectrum_id":"CCMSLIB00000847444","spectrum_index":1187},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00244969-01!4-[[2-[(E)-3-hydroxybut-1-enyl]-5-oxooxolan-3-yl]amino]benzaldehyde","exact_mass":275.116,"inchikey":"RYJWSNUDETVRFF-FARCUNLSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.123138,"smiles":"CC(O)\\C=C\\C1OC(=O)CC1NC2=CC=C(C=O)C=C2","spectrum_id":"CCMSLIB00000847445","spectrum_index":1188},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00244969-01!4-[[2-[(E)-3-hydroxybut-1-enyl]-5-oxooxolan-3-yl]amino]benzaldehyde","exact_mass":275.116,"inchikey":"RYJWSNUDETVRFF-FARCUNLSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":258.116272,"smiles":"CC(O)\\C=C\\C1OC(=O)CC1NC2=CC=C(C=O)C=C2","spectrum_id":"CCMSLIB00000847446","spectrum_index":1189},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180824-02!5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one","exact_mass":344.09,"inchikey":"KRFBMPVGAYGGJE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.097015,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(OC)=C(O)C(OC)=C3O","spectrum_id":"CCMSLIB00000847447","spectrum_index":1190},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347364-02!4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol","exact_mass":344.162,"inchikey":"GMXMKSFJQLFOSO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.159302,"smiles":"COC1=CC(=CC=C1O)C2OC(C(C)C2C)C3=CC=C(O)C(OC)=C3","spectrum_id":"CCMSLIB00000847448","spectrum_index":1191},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347364-02!4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol","exact_mass":344.162,"inchikey":"GMXMKSFJQLFOSO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.196198,"smiles":"COC1=CC(=CC=C1O)C2OC(C(C)C2C)C3=CC=C(O)C(OC)=C3","spectrum_id":"CCMSLIB00000847449","spectrum_index":1192},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168846-02!(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxybutanedioic acid","exact_mass":434.085,"inchikey":"ACYXDIZTQDLTCB-UVIKLTKHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.091034,"smiles":"OC(=O)[C@@H](OC(=O)\\C=C\\C1=CC(O)=C(O)C=C1)[C@](O)(CC2=CC(O)=C(O)C=C2)C(O)=O","spectrum_id":"CCMSLIB00000847450","spectrum_index":1193},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168846-02!(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxybutanedioic acid","exact_mass":434.085,"inchikey":"ACYXDIZTQDLTCB-UVIKLTKHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":452.118042,"smiles":"OC(=O)[C@@H](OC(=O)\\C=C\\C1=CC(O)=C(O)C=C1)[C@](O)(CC2=CC(O)=C(O)C=C2)C(O)=O","spectrum_id":"CCMSLIB00000847451","spectrum_index":1194},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385580-01!2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3-(3-methylbut-2-enyl)chromen-4-one","exact_mass":438.168,"inchikey":"VJZZZWSIXXKVQZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.174744,"smiles":"CC(C)=CCC1=C(OC2=C(CC(O)C(C)=C)C(O)=CC(O)=C2C1=O)C3=C(O)C=C(O)C=C3","spectrum_id":"CCMSLIB00000847452","spectrum_index":1195},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386036-01!5,6,7-trimethoxychromen-2-one","exact_mass":236.068,"inchikey":"FOBNRKTURPWTQX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.075928,"smiles":"COC1=C(OC)C(OC)=C2C=CC(=O)OC2=C1","spectrum_id":"CCMSLIB00000847453","spectrum_index":1196},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386036-01!5,6,7-trimethoxychromen-2-one","exact_mass":236.068,"inchikey":"FOBNRKTURPWTQX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":254.102417,"smiles":"COC1=C(OC)C(OC)=C2C=CC(=O)OC2=C1","spectrum_id":"CCMSLIB00000847454","spectrum_index":1197},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386035-01!1,3-dihydroxy-2-methylanthracene-9,10-dione","exact_mass":254.058,"inchikey":"IRZTUXPRIUZXMP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.065384,"smiles":"CC1=C(O)C2=C(C=C1O)C(=O)C3=CC=CC=C3C2=O","spectrum_id":"CCMSLIB00000847455","spectrum_index":1198},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169717-02!(E)-1-(4-hydroxy-3-methoxyphenyl)tetradec-4-en-3-one","exact_mass":332.235,"inchikey":"FADFGCOCHHNRHF-VAWYXSNFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.243317,"smiles":"CCCCCCCCC\\C=C\\C(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00000847457","spectrum_index":1199},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169717-02!(E)-1-(4-hydroxy-3-methoxyphenyl)tetradec-4-en-3-one","exact_mass":332.235,"inchikey":"FADFGCOCHHNRHF-VAWYXSNFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":350.269684,"smiles":"CCCCCCCCC\\C=C\\C(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00000847458","spectrum_index":1200},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347563-02![1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate","exact_mass":376.152,"inchikey":"GFMYIOGFYYHKLA-IZZDOVSWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.160156,"smiles":"COC1=CC2=C(C=CC(=O)O2)C=C1C(O)C(OC(=O)C(\\C)=C\\C)C(C)(C)O","spectrum_id":"CCMSLIB00000847459","spectrum_index":1201},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347563-02![1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate","exact_mass":376.152,"inchikey":"GFMYIOGFYYHKLA-IZZDOVSWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.149078,"smiles":"COC1=CC2=C(C=CC(=O)O2)C=C1C(O)C(OC(=O)C(\\C)=C\\C)C(C)(C)O","spectrum_id":"CCMSLIB00000847460","spectrum_index":1202},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386044-01!6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":378.11,"inchikey":"FMCBIXROZWHXRU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.118286,"smiles":"OC1=CC=CC(CC2=C(O)C=C3OC(CC(=O)C3=C2O)C4=CC=CC=C4)=C1O","spectrum_id":"CCMSLIB00000847461","spectrum_index":1203},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347763-02!(3R)-5-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]hexanoic acid","exact_mass":620.232,"inchikey":"ZGNUJHGCJSHIQU-JOOANJHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":638.264038,"smiles":"CC(C)C[C@](CC(O)=O)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OCC2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2","spectrum_id":"CCMSLIB00000847462","spectrum_index":1204},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386032-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":756.211,"inchikey":"VNLOLXSJMINBIS-CTLJHIMSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.216431,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C=C5)[C@H](OC6OC(CO)C(O)C(O)C6O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847463","spectrum_index":1205},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386032-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":756.211,"inchikey":"VNLOLXSJMINBIS-CTLJHIMSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":779.209412,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C=C5)[C@H](OC6OC(CO)C(O)C(O)C6O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847464","spectrum_index":1206},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384696-01!3-chloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid","exact_mass":382.046,"inchikey":"XKKQZJGDCFDION-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.054626,"smiles":"COC(=O)C1=CC(O)=CC(OC)=C1OC2=C(C(O)=O)C(O)=C(Cl)C(C)=C2","spectrum_id":"CCMSLIB00000847465","spectrum_index":1207},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384696-01!3-chloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid","exact_mass":382.046,"inchikey":"XKKQZJGDCFDION-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.080688,"smiles":"COC(=O)C1=CC(O)=CC(OC)=C1OC2=C(C(O)=O)C(O)=C(Cl)C(C)=C2","spectrum_id":"CCMSLIB00000847466","spectrum_index":1208},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180115-02!5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one","exact_mass":564.148,"inchikey":"MMDUKUSNQNWVET-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.156921,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C(C5OCC(O)C(O)C5O)=C2O","spectrum_id":"CCMSLIB00000847467","spectrum_index":1209},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384704-01![(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":610.19,"inchikey":"GNDDBOHLMOANGU-TYGLCWKWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":628.22467,"smiles":"O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](OCCC3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)\\C=C\\C4=CC(O)=C(O)C=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847468","spectrum_index":1210},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384697-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate","exact_mass":624.148,"inchikey":"QZONBCFTKCIUKE-MFSLTXMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":642.181824,"smiles":"O[C@@H]1[C@@H](COC(=O)\\C=C\\C2=CC=C(O)C=C2)O[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC(=O)\\C=C\\C4=CC=C(O)C=C4)[C@H]1O","spectrum_id":"CCMSLIB00000847469","spectrum_index":1211},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384699-01!(2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,34-tetraene-1,15,19,23,27,31-hexol","exact_mass":720.627,"inchikey":"LZPKHIWZLREKGD-VEXHCKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":721.635803,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC\\C(C)=C\\CC\\C(C)=C\\CC\\C(C)=C\\CO","spectrum_id":"CCMSLIB00000847470","spectrum_index":1212},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384699-01!(2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,34-tetraene-1,15,19,23,27,31-hexol","exact_mass":720.627,"inchikey":"LZPKHIWZLREKGD-VEXHCKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":743.617859,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC\\C(C)=C\\CC\\C(C)=C\\CC\\C(C)=C\\CO","spectrum_id":"CCMSLIB00000847471","spectrum_index":1213},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384698-01![(6R)-6-hydroxy-6-[(2S,8S,9R,10R,13R,14S,16R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxoheptan-2-yl] acetate","exact_mass":722.388,"inchikey":"KSENPDOZJGRJHR-SSCDAPBNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":723.396912,"smiles":"CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000847472","spectrum_index":1214},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384698-01![(6R)-6-hydroxy-6-[(2S,8S,9R,10R,13R,14S,16R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxoheptan-2-yl] acetate","exact_mass":722.388,"inchikey":"KSENPDOZJGRJHR-SSCDAPBNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":740.422241,"smiles":"CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000847473","spectrum_index":1215},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385996-01!10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one","exact_mass":258.089,"inchikey":"XYPWCJWXFYYGPA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.099518,"smiles":"COC1=C2OC(=O)C=CC2=CC3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00000847474","spectrum_index":1216},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385996-01!10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one","exact_mass":258.089,"inchikey":"XYPWCJWXFYYGPA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.126343,"smiles":"COC1=C2OC(=O)C=CC2=CC3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00000847475","spectrum_index":1217},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385997-01!5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one","exact_mass":288.1,"inchikey":"QZUNAFWZEXJWGD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.11026,"smiles":"COC1=C2OC(=O)C=CC2=C(OC)C3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00000847476","spectrum_index":1218},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385997-01!5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one","exact_mass":288.1,"inchikey":"QZUNAFWZEXJWGD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":306.137146,"smiles":"COC1=C2OC(=O)C=CC2=C(OC)C3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00000847477","spectrum_index":1219},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347386-02!1-methyl-2-undecylquinolin-4-one","exact_mass":313.241,"inchikey":"ZLIHBZFNMQLPOT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.251465,"smiles":"CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C","spectrum_id":"CCMSLIB00000847478","spectrum_index":1220},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385995-01!1-methyl-2-tridecylquinolin-4-one","exact_mass":341.272,"inchikey":"DWHCRAGHDDLXEM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":342.282654,"smiles":"CCCCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C","spectrum_id":"CCMSLIB00000847479","spectrum_index":1221},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385995-01!1-methyl-2-tridecylquinolin-4-one","exact_mass":341.272,"inchikey":"DWHCRAGHDDLXEM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.267364,"smiles":"CCCCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C","spectrum_id":"CCMSLIB00000847480","spectrum_index":1222},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179783-02![(2R,3R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate","exact_mass":360.085,"inchikey":"WWYQJKVSCKMFCP-MSOLQXFVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.095276,"smiles":"COC1=CC2=C(C(=O)[C@H](OC(C)=O)[C@H](O2)C3=CC(O)=C(O)C=C3)C(O)=C1","spectrum_id":"CCMSLIB00000847481","spectrum_index":1223},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347589-02![(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxy-6-[[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxymethyl]oxan-3-yl] 2-phenylacetate","exact_mass":598.169,"inchikey":"AIFVFVGRWAMEBM-GSQIWVKLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":599.181641,"smiles":"O[C@@H]1[C@@H](COC(=O)CC2(O)C=CC(=O)C=C2)O[C@@H](OC(=O)CC3(O)C=CC(=O)C=C3)[C@H](OC(=O)CC4=CC=CC=C4)[C@H]1O","spectrum_id":"CCMSLIB00000847482","spectrum_index":1224},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347589-02![(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxy-6-[[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxymethyl]oxan-3-yl] 2-phenylacetate","exact_mass":598.169,"inchikey":"AIFVFVGRWAMEBM-GSQIWVKLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":616.207397,"smiles":"O[C@@H]1[C@@H](COC(=O)CC2(O)C=CC(=O)C=C2)O[C@@H](OC(=O)CC3(O)C=CC(=O)C=C3)[C@H](OC(=O)CC4=CC=CC=C4)[C@H]1O","spectrum_id":"CCMSLIB00000847483","spectrum_index":1225},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169471-02!1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone","exact_mass":210.053,"inchikey":"PIFFQYJYNWXNGE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":211.059525,"smiles":"CC(=O)C1=C(O)C(C(C)=O)=C(O)C=C1O","spectrum_id":"CCMSLIB00000847484","spectrum_index":1226},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163615-02!3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one","exact_mass":302.043,"inchikey":"SOEDEYVDCDYMMH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.049652,"smiles":"OC1=CC2=C(C=C1)C(=O)C(O)=C(O2)C3=CC(O)=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000847485","spectrum_index":1227},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385220-01!2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one","exact_mass":330.074,"inchikey":"IMEYGBIXGJLUIS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.081024,"smiles":"COC1=C(OC)C(O)=C2C(=O)C=C(OC2=C1)C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000847486","spectrum_index":1228},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00094874-06!7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":340.079,"inchikey":"XHCADAYNFIFUHF-TVKJYDDYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.087219,"smiles":"OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847487","spectrum_index":1229},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384898-01!1,3,6,8-tetrahydroxy-2-(1-hydroxyhexyl)anthracene-9,10-dione","exact_mass":372.121,"inchikey":"WGPOPPKSQRZUTP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.128143,"smiles":"CCCCCC(O)C1=C(O)C2=C(C=C1O)C(=O)C3=CC(O)=CC(O)=C3C2=O","spectrum_id":"CCMSLIB00000847489","spectrum_index":1230},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384898-01!1,3,6,8-tetrahydroxy-2-(1-hydroxyhexyl)anthracene-9,10-dione","exact_mass":372.121,"inchikey":"WGPOPPKSQRZUTP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.11972,"smiles":"CCCCCC(O)C1=C(O)C2=C(C=C1O)C(=O)C3=CC(O)=CC(O)=C3C2=O","spectrum_id":"CCMSLIB00000847490","spectrum_index":1231},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384911-01!6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":564.148,"inchikey":"ACRIYYKEWCXQOS-XAYOXWHSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.154236,"smiles":"OC[C@H]1O[C@H]([C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O)C3=C(O)C=C4OC(=CC(=O)C4=C3O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000847491","spectrum_index":1232},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384909-01!","exact_mass":710.111,"inchikey":"ZRZWBWPDBOVIGQ-KJTCOYJYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":711.117065,"smiles":"CN1C(=O)[C@@]23C[C@@]4([C@H](NC5=C4C=CC=C5)N2C(=O)[C@]1(CO)SS3)N6C=C(C[C@]78SS[C@](CO)(N(C)C7=O)C(=O)N8C)C9=CC=CC=C69","spectrum_id":"CCMSLIB00000847492","spectrum_index":1233},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384909-01!","exact_mass":710.111,"inchikey":"ZRZWBWPDBOVIGQ-KJTCOYJYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":728.142273,"smiles":"CN1C(=O)[C@@]23C[C@@]4([C@H](NC5=C4C=CC=C5)N2C(=O)[C@]1(CO)SS3)N6C=C(C[C@]78SS[C@](CO)(N(C)C7=O)C(=O)N8C)C9=CC=CC=C69","spectrum_id":"CCMSLIB00000847493","spectrum_index":1234},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384650-01!5-hydroxy-7-(hydroxymethyl)-2-methyl-2-(5-oxooxolan-2-yl)-3H-chromen-4-one","exact_mass":292.095,"inchikey":"UTMLPTPULBHGMZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.10379,"smiles":"CC1(CC(=O)C2=C(O)C=C(CO)C=C2O1)C3CCC(=O)O3","spectrum_id":"CCMSLIB00000847494","spectrum_index":1235},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384650-01!5-hydroxy-7-(hydroxymethyl)-2-methyl-2-(5-oxooxolan-2-yl)-3H-chromen-4-one","exact_mass":292.095,"inchikey":"UTMLPTPULBHGMZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.130768,"smiles":"CC1(CC(=O)C2=C(O)C=C(CO)C=C2O1)C3CCC(=O)O3","spectrum_id":"CCMSLIB00000847495","spectrum_index":1236},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384650-01!5-hydroxy-7-(hydroxymethyl)-2-methyl-2-(5-oxooxolan-2-yl)-3H-chromen-4-one","exact_mass":292.095,"inchikey":"UTMLPTPULBHGMZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.088409,"smiles":"CC1(CC(=O)C2=C(O)C=C(CO)C=C2O1)C3CCC(=O)O3","spectrum_id":"CCMSLIB00000847496","spectrum_index":1237},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180622-03!methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","exact_mass":356.09,"inchikey":"AEKPZNDJHWFONI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.125946,"smiles":"COC(=O)C2(CC1=CC=C(O)C=C1)OC(=O)C(O)=C2C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000847497","spectrum_index":1238},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180813-03!methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate","exact_mass":362.1,"inchikey":"KYDNOVLBVBYOSW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.110291,"smiles":"COC(=O)C1=C(OC2=C(C(=O)OC)C(O)=CC(C)=C2)C(OC)=CC(O)=C1","spectrum_id":"CCMSLIB00000847498","spectrum_index":1239},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180813-03!methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate","exact_mass":362.1,"inchikey":"KYDNOVLBVBYOSW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":380.136749,"smiles":"COC(=O)C1=C(OC2=C(C(=O)OC)C(O)=CC(C)=C2)C(OC)=CC(O)=C1","spectrum_id":"CCMSLIB00000847499","spectrum_index":1240},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347390-02!(2R,3S)-7-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5-diol","exact_mass":422.121,"inchikey":"JRAAEKBJXQXXBZ-DAJYORATSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.131531,"smiles":"OC[C@@H]1O[C@@H](OC2=CC(O)=C3C[C@H](O)[C@H](OC3=C2)C4=CC=C(O)C(O)=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847500","spectrum_index":1241},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347615-02!methyl 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate","exact_mass":430.022,"inchikey":"UWTOESDPWKUNBD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.032776,"smiles":"COC(=O)C1=CC(O)=CC(OC)=C1OC2=C(Cl)C(C)=C(Cl)C(O)=C2C(=O)OC","spectrum_id":"CCMSLIB00000847501","spectrum_index":1242},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347615-02!methyl 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate","exact_mass":430.022,"inchikey":"UWTOESDPWKUNBD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":448.05899,"smiles":"COC(=O)C1=CC(O)=CC(OC)=C1OC2=C(Cl)C(C)=C(Cl)C(O)=C2C(=O)OC","spectrum_id":"CCMSLIB00000847502","spectrum_index":1243},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347381-02!(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","exact_mass":578.273,"inchikey":"AXUYMUBJXHVZEL-DBOUUHTQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.282166,"smiles":"C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](CC[C@]34C=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@]1(O)CC[C@@H]2C6=COC(=O)C=C6","spectrum_id":"CCMSLIB00000847503","spectrum_index":1244},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347381-02!(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","exact_mass":578.273,"inchikey":"AXUYMUBJXHVZEL-DBOUUHTQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":596.311707,"smiles":"C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](CC[C@]34C=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@]1(O)CC[C@@H]2C6=COC(=O)C=C6","spectrum_id":"CCMSLIB00000847504","spectrum_index":1245},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384649-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one","exact_mass":624.169,"inchikey":"PNBMEXOTFKNHLQ-PVZBESAUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":625.179077,"smiles":"COC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C(OC2=C1)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000847505","spectrum_index":1246},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384649-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one","exact_mass":624.169,"inchikey":"PNBMEXOTFKNHLQ-PVZBESAUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":647.160767,"smiles":"COC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C(OC2=C1)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000847506","spectrum_index":1247},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179777-03!(E)-1-(3,4-dihydroxy-2,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one","exact_mass":300.1,"inchikey":"VMTHPSSNJFUGBF-CMDGGOBGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.10434,"smiles":"COC1=C(C(=O)\\C=C\\C2=CC=CC=C2)C(OC)=C(O)C(O)=C1","spectrum_id":"CCMSLIB00000847507","spectrum_index":1248},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180861-02!(3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid","exact_mass":354.095,"inchikey":"GYFFKZTYYAFCTR-AVXJPILUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.099182,"smiles":"O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)C(O)=O","spectrum_id":"CCMSLIB00000847508","spectrum_index":1249},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169984-03!(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid","exact_mass":516.127,"inchikey":"KRZBCHWVBQOTNZ-RDJMKVHDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.128845,"smiles":"O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)C(O)=O)OC(=O)\\C=C\\C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000847509","spectrum_index":1250},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169984-03!(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid","exact_mass":516.127,"inchikey":"KRZBCHWVBQOTNZ-RDJMKVHDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.118713,"smiles":"O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)C(O)=O)OC(=O)\\C=C\\C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000847510","spectrum_index":1251},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169984-03!(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid","exact_mass":516.127,"inchikey":"KRZBCHWVBQOTNZ-RDJMKVHDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":534.162842,"smiles":"O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)C(O)=O)OC(=O)\\C=C\\C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000847511","spectrum_index":1252},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169984-03!(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid","exact_mass":516.127,"inchikey":"KRZBCHWVBQOTNZ-RDJMKVHDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":539.110657,"smiles":"O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)C(O)=O)OC(=O)\\C=C\\C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000847512","spectrum_index":1253},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347805-02!(2E,6E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol","exact_mass":754.632,"inchikey":"MFQDKOXWQXOOAO-YAHSWYSTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":755.630615,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC\\C(C)=C\\CC\\C(C)=C\\CO","spectrum_id":"CCMSLIB00000847513","spectrum_index":1254},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347805-02!(2E,6E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol","exact_mass":754.632,"inchikey":"MFQDKOXWQXOOAO-YAHSWYSTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":777.612244,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC\\C(C)=C\\CC\\C(C)=C\\CO","spectrum_id":"CCMSLIB00000847514","spectrum_index":1255},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180445-02![(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":888.29,"inchikey":"NPVUMVVTBDKDDD-NTQQJVIQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":906.312561,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC(O)=C(O)C=C3)O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]2OC(=O)\\C=C\\C5=CC(O)=C(O)C=C5)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847515","spectrum_index":1256},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169234-02!2-[5-hydroxy-4-methoxy-6-[4-methoxy-6-[4-methoxy-6-[4-methoxy-2-methyl-6-[[(3S,10R,11S,12S,13S,14S,17S)-11,12,14-trihydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":1120.6,"inchikey":"AGRZUANLVXMRCO-OZOQERRSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1121.597412,"smiles":"COC1CC(O[C@H]2CC[C@]3(C)C4[C@H](O)[C@@H](O)[C@]5(C)[C@H](CC[C@]5(O)C4CC=C3C2)[C@H](C)O)OC(C)C1OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6","spectrum_id":"CCMSLIB00000847516","spectrum_index":1257},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380108-02!(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid","exact_mass":284.162,"inchikey":"PVHUKALHRBPQNM-BSWSSELBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.167236,"smiles":"CCC\\C=C\\C=C\\C(CCC(=O)OC)C(CO)C(O)=O","spectrum_id":"CCMSLIB00000847517","spectrum_index":1258},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380108-02!(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid","exact_mass":284.162,"inchikey":"PVHUKALHRBPQNM-BSWSSELBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.191284,"smiles":"CCC\\C=C\\C=C\\C(CCC(=O)OC)C(CO)C(O)=O","spectrum_id":"CCMSLIB00000847518","spectrum_index":1259},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380786-01!3-methoxy-4-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol","exact_mass":294.162,"inchikey":"NFAWEPOBHKEHPO-ZHACJKMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.167694,"smiles":"COC1=C(CC=C(C)C)C(\\C=C\\C2=CC=CC=C2)=CC(O)=C1","spectrum_id":"CCMSLIB00000847521","spectrum_index":1260},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380786-01!3-methoxy-4-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol","exact_mass":294.162,"inchikey":"NFAWEPOBHKEHPO-ZHACJKMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":336.199615,"smiles":"COC1=C(CC=C(C)C)C(\\C=C\\C2=CC=CC=C2)=CC(O)=C1","spectrum_id":"CCMSLIB00000847522","spectrum_index":1261},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380784-01!","exact_mass":370.105,"inchikey":"WHXAHEFPHFIHPO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.110046,"smiles":"COC1=C2OC3(C)CCCC(O3)C2=C(O)C4=C1OC5=CC=CC(O)=C5C4=O","spectrum_id":"CCMSLIB00000847523","spectrum_index":1262},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168955-03![3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl] 3,5-dihydroxydecanoate","exact_mass":554.33,"inchikey":"JPGYRFJJNVYGPI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":555.333008,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000847524","spectrum_index":1263},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168955-03![3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl] 3,5-dihydroxydecanoate","exact_mass":554.33,"inchikey":"JPGYRFJJNVYGPI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":537.322388,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000847525","spectrum_index":1264},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168955-03![3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl] 3,5-dihydroxydecanoate","exact_mass":554.33,"inchikey":"JPGYRFJJNVYGPI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":572.360291,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000847526","spectrum_index":1265},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169102-02!2-[5-[2-[2-[5-[2-[2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","exact_mass":768.466,"inchikey":"VNBPNPCSBYXRNC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":769.467285,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)OC(C)CC4CCC(O4)C(C)C(O)=O","spectrum_id":"CCMSLIB00000847527","spectrum_index":1266},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169102-02!2-[5-[2-[2-[5-[2-[2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","exact_mass":768.466,"inchikey":"VNBPNPCSBYXRNC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":786.494141,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)OC(C)CC4CCC(O4)C(C)C(O)=O","spectrum_id":"CCMSLIB00000847528","spectrum_index":1267},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169102-02!2-[5-[2-[2-[5-[2-[2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","exact_mass":768.466,"inchikey":"VNBPNPCSBYXRNC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":807.423218,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)OC(C)CC4CCC(O4)C(C)C(O)=O","spectrum_id":"CCMSLIB00000847529","spectrum_index":1268},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169102-02!2-[5-[2-[2-[5-[2-[2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","exact_mass":768.466,"inchikey":"VNBPNPCSBYXRNC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":810.490112,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)OC(C)CC4CCC(O4)C(C)C(O)=O","spectrum_id":"CCMSLIB00000847530","spectrum_index":1269},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180708-02!(2R,3R,6R)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one","exact_mass":254.152,"inchikey":"MPOXQBRZHHNMER-RVZXZRSKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.185944,"smiles":"CCC\\C=C\\C=C\\C1C[C@@H](O)[C@@H](O)C(=O)[C@H]1CO","spectrum_id":"CCMSLIB00000847531","spectrum_index":1270},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380664-01!4-[(E)-3-hydroxy-8,10-dimethyl-2-(methylamino)dodec-6-enyl]phenol","exact_mass":333.267,"inchikey":"RNCWKUCWPBNWOH-SOFGYWHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":334.274658,"smiles":"CCC(C)CC(C)\\C=C\\CCC(O)C(CC1=CC=C(O)C=C1)NC","spectrum_id":"CCMSLIB00000847532","spectrum_index":1271},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380927-01!5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one","exact_mass":340.131,"inchikey":"CGKWSLSAYABZTL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.138245,"smiles":"CC(C)=CCC1=C(O)C=CC(=C1)C2CC(=O)C3=C(O)C=C(O)C=C3O2","spectrum_id":"CCMSLIB00000847533","spectrum_index":1272},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380926-01![5-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]-2-hydroxyphenyl] 4-hydroxybenzoate","exact_mass":422.173,"inchikey":"ORMBYUPZHHWUEM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.180084,"smiles":"CC(CC1=CC(O)=C(O)C=C1)C(C)CC2=CC(OC(=O)C3=CC=C(O)C=C3)=C(O)C=C2","spectrum_id":"CCMSLIB00000847534","spectrum_index":1273},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380926-01![5-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]-2-hydroxyphenyl] 4-hydroxybenzoate","exact_mass":422.173,"inchikey":"ORMBYUPZHHWUEM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":440.20639,"smiles":"CC(CC1=CC(O)=C(O)C=C1)C(C)CC2=CC(OC(=O)C3=CC=C(O)C=C3)=C(O)C=C2","spectrum_id":"CCMSLIB00000847535","spectrum_index":1274},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169797-03![3,4,5-trihydroxy-6-[4-hydroxy-2-[(1,2,3,6-tetrahydroxycyclohexanecarbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate","exact_mass":580.179,"inchikey":"JMCVYQUHLKARLD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":581.184448,"smiles":"OC1CCC(O)C(O)(C1O)C(=O)OCC2=C(OC3OC(COC(=O)C4=CC=CC=C4)C(O)C(O)C3O)C=CC(O)=C2","spectrum_id":"CCMSLIB00000847536","spectrum_index":1275},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169797-03![3,4,5-trihydroxy-6-[4-hydroxy-2-[(1,2,3,6-tetrahydroxycyclohexanecarbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate","exact_mass":580.179,"inchikey":"JMCVYQUHLKARLD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":598.212097,"smiles":"OC1CCC(O)C(O)(C1O)C(=O)OCC2=C(OC3OC(COC(=O)C4=CC=CC=C4)C(O)C(O)C3O)C=CC(O)=C2","spectrum_id":"CCMSLIB00000847537","spectrum_index":1276},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380922-01![6-[2-(3,4-dihydroxyphenyl)-8-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":594.137,"inchikey":"VXAHTPDZSOTOPQ-XCVCLJGOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.143982,"smiles":"OC1C(COC(=O)\\C=C\\C2=CC=C(O)C=C2)OC(OC3=CC=C4C(=O)C=C(OC4=C3O)C5=CC(O)=C(O)C=C5)C(O)C1O","spectrum_id":"CCMSLIB00000847538","spectrum_index":1277},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380191-01![(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 7-methyloctanoate","exact_mass":482.236,"inchikey":"MGQMHWZXSBFPMH-PEQRZCQJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":500.267303,"smiles":"CC(C)CCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847539","spectrum_index":1278},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380196-01!2-[5-chloro-7-(3,5-dihydroxyhexanoyloxy)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]acetic acid","exact_mass":505.15,"inchikey":"JFTUBAXWPXSZEH-ZAJAATJQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":506.160858,"smiles":"C\\C=C\\C=C\\C=C\\C1=CC2=C(Cl)C(=O)C(C)(OC(=O)CC(O)CC(C)O)C(=O)C2=CN1CC(O)=O","spectrum_id":"CCMSLIB00000847540","spectrum_index":1279},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380198-01!4-[5-chloro-7-(3,5-dihydroxyhexanoyloxy)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butanoic acid","exact_mass":533.182,"inchikey":"LREHNMAHTSUHBC-JWVJYVHFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":534.192078,"smiles":"C\\C=C\\C=C\\C=C\\C1=CC2=C(Cl)C(=O)C(C)(OC(=O)CC(O)CC(C)O)C(=O)C2=CN1CCCC(O)=O","spectrum_id":"CCMSLIB00000847541","spectrum_index":1280},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380192-01!","exact_mass":541.231,"inchikey":"LGGJSHGJCMYMKU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":542.242004,"smiles":"CC(=O)OCC1(C)C(CCC2(C)C1CC(O)C3(C)OC4=C(C(O)C23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00000847542","spectrum_index":1281},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380192-01!","exact_mass":541.231,"inchikey":"LGGJSHGJCMYMKU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":524.231384,"smiles":"CC(=O)OCC1(C)C(CCC2(C)C1CC(O)C3(C)OC4=C(C(O)C23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00000847543","spectrum_index":1282},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380197-01!2-[[2-(1,3-dicarboxypropyl)-6,6,9a-trimethyl-5-[(2E,4E,6E)-octa-2,4,6-trienoyl]oxy-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e]isoindol-4-yl]amino]pentanedioic acid","exact_mass":644.295,"inchikey":"QBDBVPLPOMHRPN-DWRCERIWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":627.294373,"smiles":"C\\C=C\\C=C\\C=C\\C(=O)OC1C(NC(CCC(O)=O)C(O)=O)C2=C(C(=O)N(C2)C(CCC(O)=O)C(O)=O)C3(C)CCCC(C)(C)C13","spectrum_id":"CCMSLIB00000847544","spectrum_index":1283},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380193-01!16-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)-3-(3-hydroxyoctanoyloxy)oxan-2-yl]oxy-6-(acetyloxymethyl)-3,4-dihydroxyoxan-2-yl]oxy-3,15-dihydroxyhexadecanoic acid","exact_mass":854.451,"inchikey":"AERAMEUFSDVACO-BNDUWSGGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":855.461975,"smiles":"CCCCCC(O)CC(=O)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCC(O)CCCCCCCCCCCC(O)CC(O)=O)O[C@@H]2COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)=O","spectrum_id":"CCMSLIB00000847545","spectrum_index":1284},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380193-01!16-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)-3-(3-hydroxyoctanoyloxy)oxan-2-yl]oxy-6-(acetyloxymethyl)-3,4-dihydroxyoxan-2-yl]oxy-3,15-dihydroxyhexadecanoic acid","exact_mass":854.451,"inchikey":"AERAMEUFSDVACO-BNDUWSGGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":872.489136,"smiles":"CCCCCC(O)CC(=O)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCC(O)CCCCCCCCCCCC(O)CC(O)=O)O[C@@H]2COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)=O","spectrum_id":"CCMSLIB00000847546","spectrum_index":1285},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381106-01!3-(6,8-dimethoxy-1-oxoisochromen-3-yl)-2-hydroxypropanoic acid","exact_mass":294.074,"inchikey":"WFLCZVKFGFFDEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.084167,"smiles":"COC1=CC(OC)=C2C(=O)OC(CC(O)C(O)=O)=CC2=C1","spectrum_id":"CCMSLIB00000847547","spectrum_index":1286},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381106-01!3-(6,8-dimethoxy-1-oxoisochromen-3-yl)-2-hydroxypropanoic acid","exact_mass":294.074,"inchikey":"WFLCZVKFGFFDEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":336.111176,"smiles":"COC1=CC(OC)=C2C(=O)OC(CC(O)C(O)=O)=CC2=C1","spectrum_id":"CCMSLIB00000847548","spectrum_index":1287},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385787-01!8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one","exact_mass":304.11,"inchikey":"RBKWJAHRWPDNPM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.120026,"smiles":"CC1(C)OC2=CC=C3C(=O)C=C(OC3=C2C=C1)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000847549","spectrum_index":1288},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385530-02!(E)-5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid","exact_mass":318.219,"inchikey":"SLMFLTPPPXRYHP-JLHYYAGUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.229858,"smiles":"CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\\C(C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000847550","spectrum_index":1289},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385530-02!(E)-5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid","exact_mass":318.219,"inchikey":"SLMFLTPPPXRYHP-JLHYYAGUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.218872,"smiles":"CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\\C(C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000847551","spectrum_index":1290},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381104-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate","exact_mass":386.137,"inchikey":"VJVXQSFKTVUEFY-XGICHPGQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.147186,"smiles":"C\\C=C(\\C)C(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00000847554","spectrum_index":1291},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381104-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate","exact_mass":386.137,"inchikey":"VJVXQSFKTVUEFY-XGICHPGQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.136383,"smiles":"C\\C=C(\\C)C(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00000847555","spectrum_index":1292},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381104-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate","exact_mass":386.137,"inchikey":"VJVXQSFKTVUEFY-XGICHPGQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.174042,"smiles":"C\\C=C(\\C)C(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00000847556","spectrum_index":1293},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381100-01![(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] tetradecanoate","exact_mass":676.403,"inchikey":"QGQSOVLOEOVNRW-KSHKLCIXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":677.414673,"smiles":"CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(=O)CCCCC","spectrum_id":"CCMSLIB00000847557","spectrum_index":1294},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381100-01![(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] tetradecanoate","exact_mass":676.403,"inchikey":"QGQSOVLOEOVNRW-KSHKLCIXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":694.442444,"smiles":"CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(=O)CCCCC","spectrum_id":"CCMSLIB00000847558","spectrum_index":1295},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381100-01![(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] tetradecanoate","exact_mass":676.403,"inchikey":"QGQSOVLOEOVNRW-KSHKLCIXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":699.396729,"smiles":"CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(=O)CCCCC","spectrum_id":"CCMSLIB00000847559","spectrum_index":1296},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381103-01!5-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid","exact_mass":724.221,"inchikey":"NEFQWEGQYZRALY-QMYZBKRTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":725.234253,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(C)(O)CC(O)=O)O[C@H]2OC3=CC(O)=C4C(=O)CC(OC4=C3)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847560","spectrum_index":1297},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381386-01!2-(7-hydroxy-6-methyloctyl)-2H-furan-5-one","exact_mass":226.157,"inchikey":"AEPMKZIOUKHDOO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":227.163055,"smiles":"CC(O)C(C)CCCCCC1OC(=O)C=C1","spectrum_id":"CCMSLIB00000847561","spectrum_index":1298},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381386-01!2-(7-hydroxy-6-methyloctyl)-2H-furan-5-one","exact_mass":226.157,"inchikey":"AEPMKZIOUKHDOO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.190399,"smiles":"CC(O)C(C)CCCCCC1OC(=O)C=C1","spectrum_id":"CCMSLIB00000847562","spectrum_index":1299},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"allocryptopine","exact_mass":369.158,"inchikey":"HYBRYAPKQCZIAE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":370.164124,"smiles":"COC1=C(OC)C2=C(CC(=O)C3=C(CCN(C)C2)C=C4OCOC4=C3)C=C1","spectrum_id":"CCMSLIB00000847563","spectrum_index":1300},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169998-02!(2R,3R,4S,5S,6R)-2-[(3R)-1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":494.215,"inchikey":"LSEDQFLRUJOXDX-SBOHWPTNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":512.247559,"smiles":"OC[C@H]1O[C@@H](O[C@H](CCCCC2=CC(O)=C(O)C=C2)CCC3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847564","spectrum_index":1301},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385089-01!(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","exact_mass":724.331,"inchikey":"DCSLTSSPIJWEJN-YRFFWODSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":742.359436,"smiles":"C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=COC(=O)C=C6)[C@H](O)[C@H](O)[C@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000847565","spectrum_index":1302},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380745-01!(5E)-2-heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one","exact_mass":300.194,"inchikey":"NGMQJZCKXKTQID-CSKARUKUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.201202,"smiles":"CCCCCCCC1OC(=O)CCC(O)\\C=C\\C(O)C1O","spectrum_id":"CCMSLIB00000847566","spectrum_index":1303},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380745-01!(5E)-2-heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one","exact_mass":300.194,"inchikey":"NGMQJZCKXKTQID-CSKARUKUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.190704,"smiles":"CCCCCCCC1OC(=O)CCC(O)\\C=C\\C(O)C1O","spectrum_id":"CCMSLIB00000847567","spectrum_index":1304},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380745-01!(5E)-2-heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one","exact_mass":300.194,"inchikey":"NGMQJZCKXKTQID-CSKARUKUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.227814,"smiles":"CCCCCCCC1OC(=O)CCC(O)\\C=C\\C(O)C1O","spectrum_id":"CCMSLIB00000847568","spectrum_index":1305},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380745-01!(5E)-2-heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one","exact_mass":300.194,"inchikey":"NGMQJZCKXKTQID-CSKARUKUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.184509,"smiles":"CCCCCCCC1OC(=O)CCC(O)\\C=C\\C(O)C1O","spectrum_id":"CCMSLIB00000847569","spectrum_index":1306},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180234-02!4-[(3S,3aR,6S,6aR)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol","exact_mass":372.157,"inchikey":"CPJKKWDCUOOTEW-VUEDXXQZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":414.19104,"smiles":"COC1=C(O)C=CC(=C1)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3C4=CC(OC)=C(OC)C=C4","spectrum_id":"CCMSLIB00000847570","spectrum_index":1307},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380722-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate","exact_mass":528.127,"inchikey":"CIQDSZUZMUTHGY-FUFTYFEXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":529.133179,"smiles":"OC[C@H]1O[C@H]([C@H](OC(=O)C2=CC=C(O)C=C2)[C@@H](O)[C@@H]1O)C3=C(O)C(C(=O)C4=CC=C(O)C=C4)=C(O)C=C3O","spectrum_id":"CCMSLIB00000847571","spectrum_index":1308},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380722-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate","exact_mass":528.127,"inchikey":"CIQDSZUZMUTHGY-FUFTYFEXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.114746,"smiles":"OC[C@H]1O[C@H]([C@H](OC(=O)C2=CC=C(O)C=C2)[C@@H](O)[C@@H]1O)C3=C(O)C(C(=O)C4=CC=C(O)C=C4)=C(O)C=C3O","spectrum_id":"CCMSLIB00000847572","spectrum_index":1309},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380841-01!2-[2-[(5R,6R,7S,9S,11R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","exact_mass":705.394,"inchikey":"CPCRJSQNWHCGOP-GJRJVGSCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":706.400024,"smiles":"CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@H](C)N)OC(=O)CC(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000847573","spectrum_index":1310},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380841-01!2-[2-[(5R,6R,7S,9S,11R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","exact_mass":705.394,"inchikey":"CPCRJSQNWHCGOP-GJRJVGSCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":688.388977,"smiles":"CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@H](C)N)OC(=O)CC(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000847574","spectrum_index":1311},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384721-01!(3aR,6R,7aR)-6-methyl-3-methylidene-6-(4-oxopentyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione","exact_mass":264.136,"inchikey":"MIRSLSRVCIOISZ-LALPHHSUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.143982,"smiles":"CC(=O)CCC[C@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2CC1=O","spectrum_id":"CCMSLIB00000847575","spectrum_index":1312},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384721-01!(3aR,6R,7aR)-6-methyl-3-methylidene-6-(4-oxopentyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione","exact_mass":264.136,"inchikey":"MIRSLSRVCIOISZ-LALPHHSUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.170868,"smiles":"CC(=O)CCC[C@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2CC1=O","spectrum_id":"CCMSLIB00000847576","spectrum_index":1313},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384747-01!9-methoxy-4-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one","exact_mass":284.105,"inchikey":"IFAIUWDLBBYPMZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.112976,"smiles":"COC1=C2OC(=O)C=CC2=C(C3=C1OC=C3)C(C)(C)C=C","spectrum_id":"CCMSLIB00000847577","spectrum_index":1314},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384747-01!9-methoxy-4-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one","exact_mass":284.105,"inchikey":"IFAIUWDLBBYPMZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.139648,"smiles":"COC1=C2OC(=O)C=CC2=C(C3=C1OC=C3)C(C)(C)C=C","spectrum_id":"CCMSLIB00000847578","spectrum_index":1315},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347649-02!","exact_mass":426.131,"inchikey":"JCJPVNDLAAXNEX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.139557,"smiles":"COC1=CC2=C(C=C1OC)C3(O)C(CO2)OC4=C5CC(OC5=CC(O)=C4C3=O)C(C)=C","spectrum_id":"CCMSLIB00000847579","spectrum_index":1316},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347649-02!","exact_mass":426.131,"inchikey":"JCJPVNDLAAXNEX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.128937,"smiles":"COC1=CC2=C(C=C1OC)C3(O)C(CO2)OC4=C5CC(OC5=CC(O)=C4C3=O)C(C)=C","spectrum_id":"CCMSLIB00000847580","spectrum_index":1317},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347590-02!9,11,12a-trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one","exact_mass":428.147,"inchikey":"LAUJMTGOOIBBOB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.144684,"smiles":"COC1=CC2=C(C=C1OC)C3(O)C(CO2)OC4=C(CC=C(C)C)C(O)=CC(O)=C4C3=O","spectrum_id":"CCMSLIB00000847581","spectrum_index":1318},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347590-02!9,11,12a-trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one","exact_mass":428.147,"inchikey":"LAUJMTGOOIBBOB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.139801,"smiles":"COC1=CC2=C(C=C1OC)C3(O)C(CO2)OC4=C(CC=C(C)C)C(O)=CC(O)=C4C3=O","spectrum_id":"CCMSLIB00000847582","spectrum_index":1319},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347619-02!","exact_mass":436.152,"inchikey":"DQNIDSLDXGTEPL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.160309,"smiles":"CC(C)=CCC1=C2OC3OC4=CC(O)=CC=C4C3(O)C(=O)C2=C(O)C5=C1OC(C)(C)C=C5","spectrum_id":"CCMSLIB00000847583","spectrum_index":1320},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347619-02!","exact_mass":436.152,"inchikey":"DQNIDSLDXGTEPL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.149536,"smiles":"CC(C)=CCC1=C2OC3OC4=CC(O)=CC=C4C3(O)C(=O)C2=C(O)C5=C1OC(C)(C)C=C5","spectrum_id":"CCMSLIB00000847584","spectrum_index":1321},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384734-01!1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one","exact_mass":548.277,"inchikey":"JGXZVDAPLSTBGZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":549.28595,"smiles":"CCCCCCCCCCCC(=O)C1=C(O)C(C2CC(OC3=CC(O)=CC=C23)C4=CC=C(O)C=C4)=C(O)C=C1O","spectrum_id":"CCMSLIB00000847585","spectrum_index":1322},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384733-01![(2R,3S,4S,5R,6S)-6-[4-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":564.163,"inchikey":"FCYCVETXTGWXBR-CMUGPJGNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.172058,"smiles":"O[C@@H]1[C@@H](COC(=O)\\C=C\\C2=CC=C(O)C=C2)O[C@@H](OC3=CC=C(\\C=C\\C(=O)C4=CC=C(O)C=C4O)C=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847586","spectrum_index":1323},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384733-01![(2R,3S,4S,5R,6S)-6-[4-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":564.163,"inchikey":"FCYCVETXTGWXBR-CMUGPJGNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":582.198669,"smiles":"O[C@@H]1[C@@H](COC(=O)\\C=C\\C2=CC=C(O)C=C2)O[C@@H](OC3=CC=C(\\C=C\\C(=O)C4=CC=C(O)C=C4O)C=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847587","spectrum_index":1324},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384749-01!2-[[5-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":582.231,"inchikey":"MLMDACHSXKCQIF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":600.266174,"smiles":"COC1=CC(=CC(OC)=C1O)C2C(CO)C(CO)CC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O)=C(OC)C=C23","spectrum_id":"CCMSLIB00000847588","spectrum_index":1325},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381260-01!N-(9-oxodecyl)acetamide","exact_mass":213.173,"inchikey":"JRJBWKJICGFLDP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":214.178268,"smiles":"CC(=O)CCCCCCCCNC(C)=O","spectrum_id":"CCMSLIB00000847589","spectrum_index":1326},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381258-01!","exact_mass":284.199,"inchikey":"GQFPGHNPCWNWOC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.203979,"smiles":"CCCCCCC1OC23OC1CCC2CCC(O)C3O","spectrum_id":"CCMSLIB00000847590","spectrum_index":1327},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00167728-05!5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one","exact_mass":300.063,"inchikey":"IHFBPDAQLQOCBX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.068237,"smiles":"COC1=C(O)C2=C(OC(=CC2=O)C3=CC=C(O)C=C3)C=C1O","spectrum_id":"CCMSLIB00000847591","spectrum_index":1328},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385126-01!1,2-dihydroxyheptadec-16-en-4-yl acetate","exact_mass":328.261,"inchikey":"MFLWBVVCOWPUBA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.266327,"smiles":"CC(=O)OC(CCCCCCCCCCCC=C)CC(O)CO","spectrum_id":"CCMSLIB00000847592","spectrum_index":1329},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385126-01!1,2-dihydroxyheptadec-16-en-4-yl acetate","exact_mass":328.261,"inchikey":"MFLWBVVCOWPUBA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.292694,"smiles":"CC(=O)OC(CCCCCCCCCCCC=C)CC(O)CO","spectrum_id":"CCMSLIB00000847593","spectrum_index":1330},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180059-02!(3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid","exact_mass":346.199,"inchikey":"QFOFNCNFUGQWTO-DYVFJYSZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.231049,"smiles":"CCCCCCCCCC[C@H](C(O)=O)[C@@](O)(CCC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000847594","spectrum_index":1331},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180573-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid","exact_mass":414.262,"inchikey":"WGVQPPKZKAJDGR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.265991,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(CC)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00000847595","spectrum_index":1332},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180573-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid","exact_mass":414.262,"inchikey":"WGVQPPKZKAJDGR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.292145,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(CC)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00000847596","spectrum_index":1333},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180573-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid","exact_mass":414.262,"inchikey":"WGVQPPKZKAJDGR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.246887,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(CC)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00000847597","spectrum_index":1334},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347497-02!3-methoxy-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropan-1-one","exact_mass":310.121,"inchikey":"AADNEQWIZKTMBL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.127808,"smiles":"COC(CC(=O)C1=CC=C2OC=CC2=C1OC)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000847598","spectrum_index":1335},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385217-01!","exact_mass":388.189,"inchikey":"PICOUNAPKDEPCA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.195496,"smiles":"COC1=C(OC)C2=C(CC(C)C(C)CC3=C2C(OC)=C(OC)C(O)=C3)C=C1O","spectrum_id":"CCMSLIB00000847599","spectrum_index":1336},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385217-01!","exact_mass":388.189,"inchikey":"PICOUNAPKDEPCA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.222015,"smiles":"COC1=C(OC)C2=C(CC(C)C(C)CC3=C2C(OC)=C(OC)C(O)=C3)C=C1O","spectrum_id":"CCMSLIB00000847600","spectrum_index":1337},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385261-01!","exact_mass":426.131,"inchikey":"MYQAATJJIDGOMQ-AYPBNUJASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.128632,"smiles":"COC1=CC2=C(C=C1OC)[C@@]3(O)[C@@H](CO2)OC4=C5C[C@@H](OC5=CC=C4C3=O)C(=C)CO","spectrum_id":"CCMSLIB00000847601","spectrum_index":1338},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385261-01!","exact_mass":426.131,"inchikey":"MYQAATJJIDGOMQ-AYPBNUJASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.10379,"smiles":"COC1=CC2=C(C=C1OC)[C@@]3(O)[C@@H](CO2)OC4=C5C[C@@H](OC5=CC=C4C3=O)C(=C)CO","spectrum_id":"CCMSLIB00000847602","spectrum_index":1339},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385251-01!(2S,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","exact_mass":464.095,"inchikey":"YSORAXGDTRAEMV-CGXGPNJMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":482.128326,"smiles":"O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C4=CC(O)=C(O)C=C4)O[C@@H]([C@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000847604","spectrum_index":1340},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385250-01!(2S)-6-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":542.121,"inchikey":"YBDIZQWDBBOOFB-GOTSBHOMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.128296,"smiles":"OC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(O)C(=C(O)C=C3O2)C4=C5O[C@@H](CC(=O)C5=C(O)C=C4O)C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00000847605","spectrum_index":1341},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385236-01!3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxycarbonyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid","exact_mass":552.127,"inchikey":"NFOCYHUCMXEHDG-WEVVVXLNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.134155,"smiles":"COC(=O)C1C(OC2=C(O)C=CC(\\C=C\\C(=O)OC(CC3=CC(O)=C(O)C=C3)C(O)=O)=C12)C4=CC=C(O)C(O)=C4","spectrum_id":"CCMSLIB00000847606","spectrum_index":1342},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385236-01!3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxycarbonyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid","exact_mass":552.127,"inchikey":"NFOCYHUCMXEHDG-WEVVVXLNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":570.159973,"smiles":"COC(=O)C1C(OC2=C(O)C=CC(\\C=C\\C(=O)OC(CC3=CC(O)=C(O)C=C3)C(O)=O)=C12)C4=CC=C(O)C(O)=C4","spectrum_id":"CCMSLIB00000847607","spectrum_index":1343},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180851-02!5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":624.169,"inchikey":"UIDGLYUNOUKLBM-ZLADREHTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":625.176025,"smiles":"COC1=C(O)C=CC(=C1)C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)C(=O)C5=C(O2)C=C(O)C=C5O","spectrum_id":"CCMSLIB00000847608","spectrum_index":1344},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180378-02!","exact_mass":750.216,"inchikey":"FCANTWZHYAQEKU-NPEBDZLFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":768.24823,"smiles":"C[C@@H](OC(C)=O)[C@@H]1[C@@]23O[C@@]2([C@H](O)C4=C(C=CC(=C4O)C5=C(O)C6=C(C=C5)C(=O)[C@]78O[C@@]7([C@@H]6O)C(=O)C[C@](C)(O)[C@@H]8[C@@H](C)OC(C)=O)C3=O)C(=O)C[C@]1(C)O","spectrum_id":"CCMSLIB00000847609","spectrum_index":1345},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017269-08!7-hydroxy-3-(4-methoxyphenyl)chromen-4-one","exact_mass":268.074,"inchikey":"HKQYGTCOTHHOMP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.082916,"smiles":"COC1=CC=C(C=C1)C2=COC3=CC(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00000847610","spectrum_index":1346},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015479-24!5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one","exact_mass":270.053,"inchikey":"TZBJGXHYKVUXJN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.062256,"smiles":"OC1=CC=C(C=C1)C2=COC3=C(C(O)=CC(O)=C3)C2=O","spectrum_id":"CCMSLIB00000847611","spectrum_index":1347},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017369-11!5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one","exact_mass":284.068,"inchikey":"WUADCCWRTIWANL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.077911,"smiles":"COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(O)=CC(O)=C3","spectrum_id":"CCMSLIB00000847612","spectrum_index":1348},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169252-03!4-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":448.101,"inchikey":"VAPVFWUBNBLVMB-CMWLGVBASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.110748,"smiles":"OC[C@H]1O[C@@H](OC2=C3C(OC(=O)C=C3C4=CC(O)=C(O)C=C4)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847613","spectrum_index":1349},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179829-02!(3S,4R)-3-[(3S,4R)-5,7-dihydroxy-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydrochromen-3-yl]-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one","exact_mass":542.121,"inchikey":"WCAMADNGWUBZMH-ZBVBGGFBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.131836,"smiles":"OC1=CC=C(C=C1)[C@H]2[C@@H]([C@@H]3[C@H](C4=CC=C(O)C=C4)C5=C(OC3=O)C=C(O)C=C5O)C(=O)OC6=C2C(O)=CC(O)=C6","spectrum_id":"CCMSLIB00000847614","spectrum_index":1350},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179829-02!(3S,4R)-3-[(3S,4R)-5,7-dihydroxy-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydrochromen-3-yl]-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one","exact_mass":542.121,"inchikey":"WCAMADNGWUBZMH-ZBVBGGFBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":560.157532,"smiles":"OC1=CC=C(C=C1)[C@H]2[C@@H]([C@@H]3[C@H](C4=CC=C(O)C=C4)C5=C(OC3=O)C=C(O)C=C5O)C(=O)OC6=C2C(O)=CC(O)=C6","spectrum_id":"CCMSLIB00000847615","spectrum_index":1351},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169589-02!(2S,3S)-8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":558.116,"inchikey":"AFDANKUHSLVEBJ-MBOHLOIDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.127136,"smiles":"O[C@H]1[C@@H](OC2=C(C1=O)C(O)=CC(O)=C2[C@H]3[C@@H](OC4=C(C(O)=CC(O)=C4)C3=O)C5=CC=C(O)C=C5)C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00000847616","spectrum_index":1352},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169589-02!(2S,3S)-8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":558.116,"inchikey":"AFDANKUHSLVEBJ-MBOHLOIDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":541.116455,"smiles":"O[C@H]1[C@@H](OC2=C(C1=O)C(O)=CC(O)=C2[C@H]3[C@@H](OC4=C(C(O)=CC(O)=C4)C3=O)C5=CC=C(O)C=C5)C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00000847617","spectrum_index":1353},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384554-01![(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":756.248,"inchikey":"XPLMUADTACCMDJ-LVDCRSFESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.257629,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC=C(O)C(O)=C3)O[C@H](CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H]2OC(=O)\\C=C\\C5=CC=C(O)C(O)=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847618","spectrum_index":1354},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384554-01![(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":756.248,"inchikey":"XPLMUADTACCMDJ-LVDCRSFESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":774.283325,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC=C(O)C(O)=C3)O[C@H](CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H]2OC(=O)\\C=C\\C5=CC=C(O)C(O)=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847619","spectrum_index":1355},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180658-02!(E)-1,7-diphenylhept-4-en-3-one","exact_mass":264.151,"inchikey":"UDNMYDZHPMNIEQ-RIYZIHGNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.157867,"smiles":"O=C(CCC1=CC=CC=C1)\\C=C\\CCC2=CC=CC=C2","spectrum_id":"CCMSLIB00000847620","spectrum_index":1356},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017220-04!3,5,7-trihydroxy-2-phenylchromen-4-one","exact_mass":270.053,"inchikey":"VCCRNZQBSJXYJD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.059814,"smiles":"OC1=CC2=C(C(=O)C(O)=C(O2)C3=CC=CC=C3)C(O)=C1","spectrum_id":"CCMSLIB00000847621","spectrum_index":1357},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347603-02!2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde","exact_mass":356.235,"inchikey":"QAPOXOGEDXIOHD-VZRGJMDUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.241638,"smiles":"CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC1=C(O)C=C(C)C(C=O)=C1O","spectrum_id":"CCMSLIB00000847622","spectrum_index":1358},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347603-02!2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde","exact_mass":356.235,"inchikey":"QAPOXOGEDXIOHD-VZRGJMDUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.223511,"smiles":"CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC1=C(O)C=C(C)C(C=O)=C1O","spectrum_id":"CCMSLIB00000847623","spectrum_index":1359},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179845-03!5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one","exact_mass":386.15,"inchikey":"CPMFRQHRPWPNMP-VOTSOKGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.155579,"smiles":"CCC(C)C(O)C(C)(O)\\C=C\\C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2CO1","spectrum_id":"CCMSLIB00000847624","spectrum_index":1360},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179845-03!5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one","exact_mass":386.15,"inchikey":"CPMFRQHRPWPNMP-VOTSOKGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.145325,"smiles":"CCC(C)C(O)C(C)(O)\\C=C\\C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2CO1","spectrum_id":"CCMSLIB00000847625","spectrum_index":1361},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180395-03!(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid","exact_mass":507.283,"inchikey":"YQDJUXPUIRGKNV-MNOLRWOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":508.28833,"smiles":"COC(\\C=C\\CC\\C=C\\C(O)=O)C(O)C(C)C(O)C(\\C)=C\\C(C)C(=O)CCCC1CC(=O)NC(=O)C1","spectrum_id":"CCMSLIB00000847626","spectrum_index":1362},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180395-03!(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid","exact_mass":507.283,"inchikey":"YQDJUXPUIRGKNV-MNOLRWOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":490.277985,"smiles":"COC(\\C=C\\CC\\C=C\\C(O)=O)C(O)C(C)C(O)C(\\C)=C\\C(C)C(=O)CCCC1CC(=O)NC(=O)C1","spectrum_id":"CCMSLIB00000847627","spectrum_index":1363},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180395-03!(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid","exact_mass":507.283,"inchikey":"YQDJUXPUIRGKNV-MNOLRWOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":525.314575,"smiles":"COC(\\C=C\\CC\\C=C\\C(O)=O)C(O)C(C)C(O)C(\\C)=C\\C(C)C(=O)CCCC1CC(=O)NC(=O)C1","spectrum_id":"CCMSLIB00000847628","spectrum_index":1364},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone","exact_mass":577.348,"inchikey":"XIYSEKITPHTMJT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":578.352234,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000847629","spectrum_index":1365},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone","exact_mass":577.348,"inchikey":"XIYSEKITPHTMJT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":600.33429,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000847630","spectrum_index":1366},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180218-02!","exact_mass":583.242,"inchikey":"PMMQOFWSZRQWEV-RVTXXDJVSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":584.245911,"smiles":"CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]3(C)OC4=C([C@H](O)[C@H]23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00000847631","spectrum_index":1367},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180218-02!","exact_mass":583.242,"inchikey":"PMMQOFWSZRQWEV-RVTXXDJVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":566.237671,"smiles":"CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]3(C)OC4=C([C@H](O)[C@H]23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00000847632","spectrum_index":1368},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169702-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one","exact_mass":294.183,"inchikey":"NLDDIKRKFXEWBK-CQSZACIVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.1922,"smiles":"CCCCC[C@@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00000847633","spectrum_index":1369},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169702-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one","exact_mass":294.183,"inchikey":"NLDDIKRKFXEWBK-CQSZACIVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.181824,"smiles":"CCCCC[C@@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00000847634","spectrum_index":1370},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169702-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one","exact_mass":294.183,"inchikey":"NLDDIKRKFXEWBK-CQSZACIVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":312.219696,"smiles":"CCCCC[C@@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00000847635","spectrum_index":1371},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017389-03!","exact_mass":353.126,"inchikey":"GPTFURBXHJWNHR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":354.136536,"smiles":"CN1CCC2=CC3=C(OCO3)C=C2C(=O)CC4=C(C1)C5=C(OCO5)C=C4","spectrum_id":"CCMSLIB00000847636","spectrum_index":1372},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384571-01!(E)-3-(4-hydroxyphenyl)-N-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propyl]amino]butyl]amino]propyl]prop-2-enamide","exact_mass":786.363,"inchikey":"KKJYIHSXTUGJLP-BRJCPHQQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":787.373413,"smiles":"OC1=CC=C(\\C=C\\C(=O)NCCCN(CCCCN(CCCNC(=O)\\C=C\\C2=CC=C(O)C=C2)C(=O)\\C=C\\C3=CC=C(O)C=C3)C(=O)\\C=C\\C4=CC=C(O)C=C4)C=C1","spectrum_id":"CCMSLIB00000847637","spectrum_index":1373},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095569-05!4,9-dimethoxyfuro[3,2-g]chromen-7-one","exact_mass":246.053,"inchikey":"DFMAXQKDIGCMTL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.060364,"smiles":"COC1=C2OC(=O)C=CC2=C(OC)C3=C1OC=C3","spectrum_id":"CCMSLIB00000847638","spectrum_index":1374},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095569-05!4,9-dimethoxyfuro[3,2-g]chromen-7-one","exact_mass":246.053,"inchikey":"DFMAXQKDIGCMTL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":264.086487,"smiles":"COC1=C2OC(=O)C=CC2=C(OC)C3=C1OC=C3","spectrum_id":"CCMSLIB00000847639","spectrum_index":1375},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380846-01![5-hydroxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate","exact_mass":284.162,"inchikey":"LBZXZXIGWNHGTB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.169342,"smiles":"CC(C)CC(=O)OC1C(C(C)C)C(O)C=C(CO)C1=O","spectrum_id":"CCMSLIB00000847640","spectrum_index":1376},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380846-01![5-hydroxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate","exact_mass":284.162,"inchikey":"LBZXZXIGWNHGTB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.195953,"smiles":"CC(C)CC(=O)OC1C(C(C)C)C(O)C=C(CO)C1=O","spectrum_id":"CCMSLIB00000847641","spectrum_index":1377},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid","exact_mass":342.204,"inchikey":"QFZISQBFEIXWDM-UTLPMFLDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.211121,"smiles":"CC(CCCCC(O)C(CO)C(O)=O)C\\C(C)=C\\C(C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000847642","spectrum_index":1378},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid","exact_mass":342.204,"inchikey":"QFZISQBFEIXWDM-UTLPMFLDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.200409,"smiles":"CC(CCCCC(O)C(CO)C(O)=O)C\\C(C)=C\\C(C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000847643","spectrum_index":1379},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380847-01!(1R)-2-chloro-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione","exact_mass":352.035,"inchikey":"UMKWAHOXPWRVRW-MRXNPFEDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.04187,"smiles":"COC1=CC(O)=C2C(=O)OC3=C(C2=C1)[C@@](C)(O)C(Cl)=C(OC)C3=O","spectrum_id":"CCMSLIB00000847644","spectrum_index":1380},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380847-01!(1R)-2-chloro-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione","exact_mass":352.035,"inchikey":"UMKWAHOXPWRVRW-MRXNPFEDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":370.067444,"smiles":"COC1=CC(O)=C2C(=O)OC3=C(C2=C1)[C@@](C)(O)C(Cl)=C(OC)C3=O","spectrum_id":"CCMSLIB00000847645","spectrum_index":1381},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170012-03!5-hydroxy-3-[(2S,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-yl]oxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one","exact_mass":578.164,"inchikey":"TXCAFRVNHJUDMI-AOHWRSHGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.169128,"smiles":"COC1=CC2=C(C(=O)C(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(O2)C5=CC=C(O)C=C5)C(O)=C1","spectrum_id":"CCMSLIB00000847646","spectrum_index":1382},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169209-03![17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-3-hydroxy-4,4,9,13,14-pentamethyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate","exact_mass":710.424,"inchikey":"VJWYQRXPCZNDKS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":728.456543,"smiles":"CC(=O)OC1CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O","spectrum_id":"CCMSLIB00000847647","spectrum_index":1383},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380848-01!(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol","exact_mass":1052.54,"inchikey":"MERWGCAXAUTKAC-JOGZPFRESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1053.544312,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4C[C@@H](C)[C@](C)(CC[C@](C)(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C=C)[C@H]7CCC=C(C)[C@]47C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847648","spectrum_index":1384},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380848-01!(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol","exact_mass":1052.54,"inchikey":"MERWGCAXAUTKAC-JOGZPFRESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1035.534302,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4C[C@@H](C)[C@](C)(CC[C@](C)(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C=C)[C@H]7CCC=C(C)[C@]47C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847649","spectrum_index":1385},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380848-01!(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol","exact_mass":1052.54,"inchikey":"MERWGCAXAUTKAC-JOGZPFRESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1070.572021,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4C[C@@H](C)[C@](C)(CC[C@](C)(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C=C)[C@H]7CCC=C(C)[C@]47C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847650","spectrum_index":1386},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347544-02!4-hydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-5-(3-methylbut-2-enyl)benzoic acid","exact_mass":374.209,"inchikey":"LQMRAHHWCLZHQD-ZHACJKMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.218384,"smiles":"CC(CCC1=CC(=CC(CC=C(C)C)=C1O)C(O)=O)C(=O)\\C=C\\C(C)(C)O","spectrum_id":"CCMSLIB00000847651","spectrum_index":1387},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347544-02!4-hydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-5-(3-methylbut-2-enyl)benzoic acid","exact_mass":374.209,"inchikey":"LQMRAHHWCLZHQD-ZHACJKMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.208679,"smiles":"CC(CCC1=CC(=CC(CC=C(C)C)=C1O)C(O)=O)C(=O)\\C=C\\C(C)(C)O","spectrum_id":"CCMSLIB00000847652","spectrum_index":1388},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347544-02!4-hydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-5-(3-methylbut-2-enyl)benzoic acid","exact_mass":374.209,"inchikey":"LQMRAHHWCLZHQD-ZHACJKMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":392.245178,"smiles":"CC(CCC1=CC(=CC(CC=C(C)C)=C1O)C(O)=O)C(=O)\\C=C\\C(C)(C)O","spectrum_id":"CCMSLIB00000847653","spectrum_index":1389},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347544-02!4-hydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-5-(3-methylbut-2-enyl)benzoic acid","exact_mass":374.209,"inchikey":"LQMRAHHWCLZHQD-ZHACJKMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.204132,"smiles":"CC(CCC1=CC(=CC(CC=C(C)C)=C1O)C(O)=O)C(=O)\\C=C\\C(C)(C)O","spectrum_id":"CCMSLIB00000847654","spectrum_index":1390},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385810-01!","exact_mass":410.137,"inchikey":"ZFSLOJRJABHMTL-OFNKIYASSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.146606,"smiles":"COC1=CC=C2C(=O)[C@@]3(O)[C@@H](COC4=C3C=C5OCOC5=C4)OC2=C1CC=C(C)C","spectrum_id":"CCMSLIB00000847655","spectrum_index":1391},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385810-01!","exact_mass":410.137,"inchikey":"ZFSLOJRJABHMTL-OFNKIYASSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.13623,"smiles":"COC1=CC=C2C(=O)[C@@]3(O)[C@@H](COC4=C3C=C5OCOC5=C4)OC2=C1CC=C(C)C","spectrum_id":"CCMSLIB00000847656","spectrum_index":1392},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385810-01!","exact_mass":410.137,"inchikey":"ZFSLOJRJABHMTL-OFNKIYASSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.112,"smiles":"COC1=CC=C2C(=O)[C@@]3(O)[C@@H](COC4=C3C=C5OCOC5=C4)OC2=C1CC=C(C)C","spectrum_id":"CCMSLIB00000847657","spectrum_index":1393},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385785-01!(2R,3R,4S,5S,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":452.132,"inchikey":"YOVYWMDLYSJYPO-ANWIJZKESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.142426,"smiles":"OC[C@H]1O[C@@H](OC2CC3=C(O)C=C(O)C=C3OC2C4=CC(O)=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847658","spectrum_index":1394},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385786-01!5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","exact_mass":462.116,"inchikey":"SSVHQKZUFBBLJY-OELQVNMVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.126373,"smiles":"COC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)=C(OC2=C1O)C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000847659","spectrum_index":1395},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385791-01!","exact_mass":580.252,"inchikey":"XYUXECAMXQZDMY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":581.262634,"smiles":"CC12CCC3C(CCC5(OC4OC(CO)C(O)C(O)C4O)C6OC6CCC35O)C1(O)CC(O)C2C7=COC(=O)C=C7","spectrum_id":"CCMSLIB00000847660","spectrum_index":1396},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381116-01!(E)-4-hydroxy-4-[4-hydroxy-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acid","exact_mass":296.162,"inchikey":"XOBLMJHTXIQOHS-GFGVWQOPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.172791,"smiles":"CC(=O)CCC\\C=C\\C1CC(O)CC1C(O)\\C=C\\C(O)=O","spectrum_id":"CCMSLIB00000847661","spectrum_index":1397},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381116-01!(E)-4-hydroxy-4-[4-hydroxy-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acid","exact_mass":296.162,"inchikey":"XOBLMJHTXIQOHS-GFGVWQOPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.162292,"smiles":"CC(=O)CCC\\C=C\\C1CC(O)CC1C(O)\\C=C\\C(O)=O","spectrum_id":"CCMSLIB00000847662","spectrum_index":1398},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381117-01!2-amino-4-hydroxy-5-[[1-(4-methoxy-6-oxopyran-2-yl)-3-methylbutyl]amino]-5-oxopentanoic acid","exact_mass":356.158,"inchikey":"KPJWCCNQYSXELE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.169617,"smiles":"COC1=CC(=O)OC(=C1)C(CC(C)C)NC(=O)C(O)CC(N)C(O)=O","spectrum_id":"CCMSLIB00000847663","spectrum_index":1399},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381117-01!2-amino-4-hydroxy-5-[[1-(4-methoxy-6-oxopyran-2-yl)-3-methylbutyl]amino]-5-oxopentanoic acid","exact_mass":356.158,"inchikey":"KPJWCCNQYSXELE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.158539,"smiles":"COC1=CC(=O)OC(=C1)C(CC(C)C)NC(=O)C(O)CC(N)C(O)=O","spectrum_id":"CCMSLIB00000847664","spectrum_index":1400},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180457-02!4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one","exact_mass":370.142,"inchikey":"IYBDDRJHJMFFBB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.152283,"smiles":"COC1=C(OC)C=C(CC2C(CC3=CC4=C(OCO4)C=C3)COC2=O)C=C1","spectrum_id":"CCMSLIB00000847665","spectrum_index":1401},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180457-02!4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one","exact_mass":370.142,"inchikey":"IYBDDRJHJMFFBB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.141724,"smiles":"COC1=C(OC)C=C(CC2C(CC3=CC4=C(OCO4)C=C3)COC2=O)C=C1","spectrum_id":"CCMSLIB00000847666","spectrum_index":1402},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180457-02!4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one","exact_mass":370.142,"inchikey":"IYBDDRJHJMFFBB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":388.179108,"smiles":"COC1=C(OC)C=C(CC2C(CC3=CC4=C(OCO4)C=C3)COC2=O)C=C1","spectrum_id":"CCMSLIB00000847667","spectrum_index":1403},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180457-02!4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one","exact_mass":370.142,"inchikey":"IYBDDRJHJMFFBB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.136993,"smiles":"COC1=C(OC)C=C(CC2C(CC3=CC4=C(OCO4)C=C3)COC2=O)C=C1","spectrum_id":"CCMSLIB00000847668","spectrum_index":1404},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385780-01!5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one","exact_mass":438.204,"inchikey":"ARNVYCOTFWJTBS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.215454,"smiles":"COC1=C(C=CC(O)=C1CC=C(C)C)C2COC3=CC(O)=C(CC=C(C)C)C(O)=C3C2=O","spectrum_id":"CCMSLIB00000847669","spectrum_index":1405},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169618-04!6-[(6,8-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydroisochromen-4-yl)oxy]-4,8-dihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one","exact_mass":462.116,"inchikey":"WLSOGIGMSWCVID-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.127014,"smiles":"COC1=C(O)C2=C(C=C1O)C(OC3=C(OC)C(O)=C4C(=O)OC(C)C(O)C4=C3)C(C)OC2=O","spectrum_id":"CCMSLIB00000847670","spectrum_index":1406},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169618-04!6-[(6,8-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydroisochromen-4-yl)oxy]-4,8-dihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one","exact_mass":462.116,"inchikey":"WLSOGIGMSWCVID-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.116455,"smiles":"COC1=C(O)C2=C(C=C1O)C(OC3=C(OC)C(O)=C4C(=O)OC(C)C(O)C4=C3)C(C)OC2=O","spectrum_id":"CCMSLIB00000847671","spectrum_index":1407},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381114-01!3-(1,3-benzodioxol-5-yl)-7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-5,6-dimethoxychromen-4-one","exact_mass":930.264,"inchikey":"FZYKTYOEQYVLEL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":931.277344,"smiles":"COC1=C(OC2OC(COC3OCC(O)(CO)C3O)C(OC4OC(COC5OCC(O)(CO)C5O)C(O)C(O)C4O)C(O)C2O)C=C6OC=C(C(=O)C6=C1OC)C7=CC=C8OCOC8=C7","spectrum_id":"CCMSLIB00000847674","spectrum_index":1408},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380373-01!2-[(2-amino-3-methylbutanoyl)amino]-3-phenylpropanoic acid","exact_mass":264.147,"inchikey":"GJNDXQBALKCYSZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.154999,"smiles":"CC(C)C(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O","spectrum_id":"CCMSLIB00000847675","spectrum_index":1409},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384594-01!2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl (Z)-2-methylbut-2-enoate","exact_mass":344.126,"inchikey":"GZAQAICYIHWIAX-YHYXMXQVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.159729,"smiles":"C\\C=C(\\C)C(=O)OC(C)(C)C1OC2=CC=C3C=CC(=O)OC3=C2C1O","spectrum_id":"CCMSLIB00000847676","spectrum_index":1410},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one","exact_mass":434.23,"inchikey":"UXTZIHZDUIRZDY-JASOSIDASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.237701,"smiles":"COC1=C(C)C(=O)OC(=C1C)C(C)(O)C(O)C(\\C)=C\\C(C)=C\\C2(C)OC(C)C3(C)OC23","spectrum_id":"CCMSLIB00000847677","spectrum_index":1411},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one","exact_mass":434.23,"inchikey":"UXTZIHZDUIRZDY-JASOSIDASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.227051,"smiles":"COC1=C(C)C(=O)OC(=C1C)C(C)(O)C(O)C(\\C)=C\\C(C)=C\\C2(C)OC(C)C3(C)OC23","spectrum_id":"CCMSLIB00000847678","spectrum_index":1412},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one","exact_mass":434.23,"inchikey":"UXTZIHZDUIRZDY-JASOSIDASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":452.264191,"smiles":"COC1=C(C)C(=O)OC(=C1C)C(C)(O)C(O)C(\\C)=C\\C(C)=C\\C2(C)OC(C)C3(C)OC23","spectrum_id":"CCMSLIB00000847679","spectrum_index":1413},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180025-03!(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol","exact_mass":478.169,"inchikey":"CKGKQISENBKOCA-NHBPFIHPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.176483,"smiles":"COC1=CC(O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000847680","spectrum_index":1414},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180025-03!(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol","exact_mass":478.169,"inchikey":"CKGKQISENBKOCA-NHBPFIHPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":496.202209,"smiles":"COC1=CC(O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000847681","spectrum_index":1415},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380374-01!2,3,4-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-5-(2-methylpropanoyloxy)hexanedioic acid","exact_mass":766.175,"inchikey":"RIVNVLITMUKUQK-HSKKGTKSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":767.179626,"smiles":"CC(C)C(=O)OC(C(OC(=O)\\C=C\\C1=CC(O)=C(O)C=C1)C(OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)C(OC(=O)\\C=C\\C3=CC(O)=C(O)C=C3)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000847682","spectrum_index":1416},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380374-01!2,3,4-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-5-(2-methylpropanoyloxy)hexanedioic acid","exact_mass":766.175,"inchikey":"RIVNVLITMUKUQK-HSKKGTKSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":784.208191,"smiles":"CC(C)C(=O)OC(C(OC(=O)\\C=C\\C1=CC(O)=C(O)C=C1)C(OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)C(OC(=O)\\C=C\\C3=CC(O)=C(O)C=C3)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000847683","spectrum_index":1417},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384599-01![3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate","exact_mass":798.222,"inchikey":"HRRAIHOSJIFLNS-FXFIXYPNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":799.229187,"smiles":"C[C@@H]1O[C@@H](OC2C(O)C(O)C(COC(C)=O)OC2OC3=C(OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C4C3=O)C6=CC=C(O)C=C6)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847684","spectrum_index":1418},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384599-01![3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate","exact_mass":798.222,"inchikey":"HRRAIHOSJIFLNS-FXFIXYPNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":821.212097,"smiles":"C[C@@H]1O[C@@H](OC2C(O)C(O)C(COC(C)=O)OC2OC3=C(OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C4C3=O)C6=CC=C(O)C=C6)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847685","spectrum_index":1419},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380416-01!4,8-dihydroxy-3,7,8-trimethyl-5,7-dihydropyrano[4,3-b]pyran-2-one","exact_mass":226.084,"inchikey":"LORTWVPBXJUYJM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":227.092377,"smiles":"CC1OCC2=C(OC(=O)C(C)=C2O)C1(C)O","spectrum_id":"CCMSLIB00000847686","spectrum_index":1420},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380414-01!3-(5,7-dimethoxy-4-oxochromen-2-yl)propanoic acid","exact_mass":278.079,"inchikey":"AKJIPZYHXYQVJT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.087341,"smiles":"COC1=CC(OC)=C2C(=O)C=C(CCC(O)=O)OC2=C1","spectrum_id":"CCMSLIB00000847687","spectrum_index":1421},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179746-02!(3,4,5-trihydroxy-6-methyloxan-2-yl) 2-(methylamino)benzoate","exact_mass":297.121,"inchikey":"XLGJBANZFAQPOK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.129761,"smiles":"CNC1=C(C=CC=C1)C(=O)OC2OC(C)C(O)C(O)C2O","spectrum_id":"CCMSLIB00000847688","spectrum_index":1422},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380417-01!1-(2,4-dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one","exact_mass":302.115,"inchikey":"TURHNAJJDDIVGC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.124054,"smiles":"COC1=CC(=CC(OC)=C1)C(C)C(=O)C2=C(O)C=C(O)C=C2","spectrum_id":"CCMSLIB00000847689","spectrum_index":1423},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380417-01!1-(2,4-dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one","exact_mass":302.115,"inchikey":"TURHNAJJDDIVGC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.150909,"smiles":"COC1=CC(=CC(OC)=C1)C(C)C(=O)C2=C(O)C=C(O)C=C2","spectrum_id":"CCMSLIB00000847690","spectrum_index":1424},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380099-02!(2-hydroxy-3,6-diphenylcyclohexyl) acetate","exact_mass":310.157,"inchikey":"RRGRXDIGPVAQIW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.165497,"smiles":"CC(=O)OC1C(O)C(CCC1C2=CC=CC=C2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000847691","spectrum_index":1425},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380099-02!(2-hydroxy-3,6-diphenylcyclohexyl) acetate","exact_mass":310.157,"inchikey":"RRGRXDIGPVAQIW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":328.192627,"smiles":"CC(=O)OC1C(O)C(CCC1C2=CC=CC=C2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000847692","spectrum_index":1426},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380415-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one","exact_mass":544.137,"inchikey":"YHJDRJVMBSUEDI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.146667,"smiles":"OC1CC2=C(O)C=C(O)C(C3C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C=C5)=C2OC1C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00000847695","spectrum_index":1427},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380415-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one","exact_mass":544.137,"inchikey":"YHJDRJVMBSUEDI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":562.174866,"smiles":"OC1CC2=C(O)C=C(O)C(C3C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C=C5)=C2OC1C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00000847696","spectrum_index":1428},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380486-01!7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-hydroxy-6-(4-hydroxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one","exact_mass":638.148,"inchikey":"AQHBWLVCMSRMAR-YSXRLTKPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":639.158386,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=C(OC4=CC5=C(OCO5)C(O)=C4C3=O)C6=CC=C(O)C=C6)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847697","spectrum_index":1429},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380112-01!2-(6-hydroxy-6-methyloctyl)-2H-furan-5-one","exact_mass":226.157,"inchikey":"SYVFGLXUEAXFAP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":209.154968,"smiles":"CCC(C)(O)CCCCCC1OC(=O)C=C1","spectrum_id":"CCMSLIB00000847698","spectrum_index":1430},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380112-01!2-(6-hydroxy-6-methyloctyl)-2H-furan-5-one","exact_mass":226.157,"inchikey":"SYVFGLXUEAXFAP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.192184,"smiles":"CCC(C)(O)CCCCCC1OC(=O)C=C1","spectrum_id":"CCMSLIB00000847699","spectrum_index":1431},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380108-01!(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid","exact_mass":284.162,"inchikey":"PVHUKALHRBPQNM-BSWSSELBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.171326,"smiles":"CCC\\C=C\\C=C\\C(CCC(=O)OC)C(CO)C(O)=O","spectrum_id":"CCMSLIB00000847700","spectrum_index":1432},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380108-01!(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid","exact_mass":284.162,"inchikey":"PVHUKALHRBPQNM-BSWSSELBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.198029,"smiles":"CCC\\C=C\\C=C\\C(CCC(=O)OC)C(CO)C(O)=O","spectrum_id":"CCMSLIB00000847701","spectrum_index":1433},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169371-02!(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide","exact_mass":329.126,"inchikey":"VJSCHQMOTSXAKB-YCRREMRBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.135681,"smiles":"COC1=C(O)C=CC(\\C=C\\C(=O)NCC(O)C2=CC=C(O)C=C2)=C1","spectrum_id":"CCMSLIB00000847704","spectrum_index":1434},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380111-01!2-(4,5-dihydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl)prop-2-enyl 2,3,4-trihydroxybutanoate","exact_mass":398.158,"inchikey":"KHZIUQMHAJNNKW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.16684,"smiles":"CC1CC(O)C(O)C2=CC(=O)C3(OC3C12C)C(=C)COC(=O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000847705","spectrum_index":1435},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380111-01!2-(4,5-dihydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl)prop-2-enyl 2,3,4-trihydroxybutanoate","exact_mass":398.158,"inchikey":"KHZIUQMHAJNNKW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":416.194427,"smiles":"CC1CC(O)C(O)C2=CC(=O)C3(OC3C12C)C(=C)COC(=O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000847706","spectrum_index":1436},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380531-01!3-(1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-6-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methoxychromen-4-one","exact_mass":606.158,"inchikey":"BCWKMSLBLIKZQX-HMZWGCPASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":607.168396,"smiles":"COC1=C(O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C4OC=C(C(=O)C4=C1)C5=CC6=C(OCO6)C=C5","spectrum_id":"CCMSLIB00000847707","spectrum_index":1437},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380565-01!2-(3,4-dihydroxyphenyl)ethyl (5Z)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate","exact_mass":808.258,"inchikey":"WRSGLSMQZLBGNH-HNCVJSPVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":826.294617,"smiles":"OC[C@H]1O[C@@H](OC2OC=C(C(CC(=O)OCCC3=CC(O)=C(O)C=C3)\\C2=C\\COC(=O)\\C=C\\C4=CC=CC=C4)C(=O)OCCC5=CC=C(O)C(O)=C5)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847708","spectrum_index":1438},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380174-01!2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate","exact_mass":288.1,"inchikey":"IQTTZQQJJBEAIM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.109436,"smiles":"CC(=O)OC(C)(C)C1CC2=C3OC(=O)C=CC3=CC=C2O1","spectrum_id":"CCMSLIB00000847709","spectrum_index":1439},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380174-01!2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate","exact_mass":288.1,"inchikey":"IQTTZQQJJBEAIM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":306.136444,"smiles":"CC(=O)OC(C)(C)C1CC2=C3OC(=O)C=CC3=CC=C2O1","spectrum_id":"CCMSLIB00000847710","spectrum_index":1440},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180232-02!7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-one","exact_mass":330.147,"inchikey":"OAGXTVOZBKKJKA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.156494,"smiles":"OC(CCC1=CC(O)=C(O)C=C1)CC(=O)CCC2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000847711","spectrum_index":1441},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180232-02!7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-one","exact_mass":330.147,"inchikey":"OAGXTVOZBKKJKA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":348.183044,"smiles":"OC(CCC1=CC(O)=C(O)C=C1)CC(=O)CCC2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000847712","spectrum_index":1442},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380572-01!4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol","exact_mass":418.163,"inchikey":"KOWMJRJXZMEZLD-GKHNXXNSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.172821,"smiles":"COC1=CC(=CC(OC)=C1O)[C@H]2OC[C@H]3[C@@H]2CO[C@H]3C4=CC(OC)=C(O)C(OC)=C4","spectrum_id":"CCMSLIB00000847713","spectrum_index":1443},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380572-01!4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol","exact_mass":418.163,"inchikey":"KOWMJRJXZMEZLD-GKHNXXNSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.162079,"smiles":"COC1=CC(=CC(OC)=C1O)[C@H]2OC[C@H]3[C@@H]2CO[C@H]3C4=CC(OC)=C(O)C(OC)=C4","spectrum_id":"CCMSLIB00000847714","spectrum_index":1444},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380559-01!(2S)-2-(2-hydroxypropan-2-yl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one","exact_mass":424.137,"inchikey":"JWWFVRMFYKPZNE-VVIWCBLHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.1474,"smiles":"CC(C)(O)[C@@H]1CC2=C(O1)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C4OC(=O)C=CC4=C2","spectrum_id":"CCMSLIB00000847715","spectrum_index":1445},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380559-01!(2S)-2-(2-hydroxypropan-2-yl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one","exact_mass":424.137,"inchikey":"JWWFVRMFYKPZNE-VVIWCBLHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":442.173218,"smiles":"CC(C)(O)[C@@H]1CC2=C(O1)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C4OC(=O)C=CC4=C2","spectrum_id":"CCMSLIB00000847716","spectrum_index":1446},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347692-02!5,6-dibenzoyloxy-7-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":644.174,"inchikey":"JQOQJRICPWKBGN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":645.183899,"smiles":"COC(=O)C1C(OC(=O)C2=CC=CC=C2)C(OC(=O)C3=CC=CC=C3)C4C1C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(O)=O","spectrum_id":"CCMSLIB00000847717","spectrum_index":1447},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347692-02!5,6-dibenzoyloxy-7-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":644.174,"inchikey":"JQOQJRICPWKBGN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":662.211609,"smiles":"COC(=O)C1C(OC(=O)C2=CC=CC=C2)C(OC(=O)C3=CC=CC=C3)C4C1C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(O)=O","spectrum_id":"CCMSLIB00000847718","spectrum_index":1448},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180171-02!(4aS,6aR,6bR,10S,12aR)-1,2,6b,9,9,12a-hexamethyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-4a-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid","exact_mass":956.498,"inchikey":"IMXVXFLNNGIIDL-DRHONXNKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":974.535522,"smiles":"CC1CC[C@@]2(CC[C@]3(C(O)=O)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CC[C@@]34C)C2C1C)C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000847719","spectrum_index":1449},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380178-01!6-[[8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid","exact_mass":970.477,"inchikey":"RTTRTWCKPYQXFS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":988.515076,"smiles":"CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C)C5CCC4(C)C3(C)C=CC2(CC1OC8OC(CO)C(O)C(O)C8O)C(O)=O","spectrum_id":"CCMSLIB00000847720","spectrum_index":1450},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180394-02!(2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one","exact_mass":214.121,"inchikey":"YFIMUDXPJZVJJO-UWVGGRQHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":215.127823,"smiles":"CCCC[C@H](O)[C@@H]1CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00000847721","spectrum_index":1451},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180394-02!(2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one","exact_mass":214.121,"inchikey":"YFIMUDXPJZVJJO-UWVGGRQHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":232.154388,"smiles":"CCCC[C@H](O)[C@@H]1CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00000847722","spectrum_index":1452},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169440-02!methyl 8-hydroxy-6-(hydroxymethyl)-9-oxoxanthene-1-carboxylate","exact_mass":300.063,"inchikey":"UBYOEDLUKKPPPN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.070679,"smiles":"COC(=O)C1=C2C(=O)C3=C(OC2=CC=C1)C=C(CO)C=C3O","spectrum_id":"CCMSLIB00000847723","spectrum_index":1453},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179993-02!","exact_mass":360.121,"inchikey":"MHCYVCDXRQGUFW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.128418,"smiles":"CC1CC(=O)C2C34OC3(C(O)CC2(O)C1)C(O)C5=C(C=CC=C5O)C4=O","spectrum_id":"CCMSLIB00000847724","spectrum_index":1454},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179993-02!","exact_mass":360.121,"inchikey":"MHCYVCDXRQGUFW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.117798,"smiles":"CC1CC(=O)C2C34OC3(C(O)CC2(O)C1)C(O)C5=C(C=CC=C5O)C4=O","spectrum_id":"CCMSLIB00000847725","spectrum_index":1455},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169491-02!(4S)-4-hydroxy-3,5,5-trimethyl-4-[(E)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one","exact_mass":386.194,"inchikey":"SWYRVCGNMNAFEK-CLCVOTHJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.201172,"smiles":"CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\\C=C\\[C@@]2(O)C(C)=CC(=O)CC2(C)C","spectrum_id":"CCMSLIB00000847726","spectrum_index":1456},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380659-01!(2E,4E,14E)-13-hydroperoxy-N-(2-methylpropyl)icosa-2,4,14-trienamide","exact_mass":393.324,"inchikey":"SWLNXMJZQXZBCB-QQYDYBFASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.331879,"smiles":"CCCCC\\C=C\\C(CCCCCCC\\C=C\\C=C\\C(=O)NCC(C)C)OO","spectrum_id":"CCMSLIB00000847727","spectrum_index":1457},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380659-01!(2E,4E,14E)-13-hydroperoxy-N-(2-methylpropyl)icosa-2,4,14-trienamide","exact_mass":393.324,"inchikey":"SWLNXMJZQXZBCB-QQYDYBFASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.321472,"smiles":"CCCCC\\C=C\\C(CCCCCCC\\C=C\\C=C\\C(=O)NCC(C)C)OO","spectrum_id":"CCMSLIB00000847728","spectrum_index":1458},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380659-01!(2E,4E,14E)-13-hydroperoxy-N-(2-methylpropyl)icosa-2,4,14-trienamide","exact_mass":393.324,"inchikey":"SWLNXMJZQXZBCB-QQYDYBFASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.358612,"smiles":"CCCCC\\C=C\\C(CCCCCCC\\C=C\\C=C\\C(=O)NCC(C)C)OO","spectrum_id":"CCMSLIB00000847729","spectrum_index":1459},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380656-01!2-[7-acetyloxy-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]propanoic acid","exact_mass":461.161,"inchikey":"WCFJCDWCDZAMPA-ANVLWLQNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":462.168121,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1C(C)C(O)=O","spectrum_id":"CCMSLIB00000847730","spectrum_index":1460},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380352-01!5-butyl-4-hydroxy-3-methyl-6-(3-methylbut-2-enyl)-1H-pyridin-2-one","exact_mass":249.173,"inchikey":"VZBUSXXYCPQEIC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":250.180435,"smiles":"CCCCC1=C(CC=C(C)C)NC(=O)C(C)=C1O","spectrum_id":"CCMSLIB00000847731","spectrum_index":1461},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169395-03![1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate","exact_mass":318.11,"inchikey":"VLHOVPZUSXEINR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.117737,"smiles":"COC1=C(C(OC(C)=O)C(=O)C(C)C)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000847732","spectrum_index":1462},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169395-03![1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate","exact_mass":318.11,"inchikey":"VLHOVPZUSXEINR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":336.144348,"smiles":"COC1=C(C(OC(C)=O)C(=O)C(C)C)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000847733","spectrum_index":1463},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380274-01!methyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate","exact_mass":368.111,"inchikey":"MZNIJRAPCCELQX-AWOKGZDASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.118286,"smiles":"COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\\C=C\\C2=CC=C(O)C(O)=C2","spectrum_id":"CCMSLIB00000847734","spectrum_index":1464},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380274-01!methyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate","exact_mass":368.111,"inchikey":"MZNIJRAPCCELQX-AWOKGZDASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":386.14566,"smiles":"COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\\C=C\\C2=CC=C(O)C(O)=C2","spectrum_id":"CCMSLIB00000847735","spectrum_index":1465},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380350-01![1,3-diacetyloxy-9,10-dihydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylbutanoate","exact_mass":534.283,"inchikey":"BEFBCLTWLOLKAQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":552.315674,"smiles":"CCC(C)C(=O)OC1CC2C3(C(OC(C)=O)OC(OC(C)=O)C3=C1)C(O)C(O)C(C)C2(C)CCC(=C)C=C","spectrum_id":"CCMSLIB00000847736","spectrum_index":1466},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247503-02!(3R)-8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one","exact_mass":256.074,"inchikey":"DGKDFNDHPXVXHW-CYBMUJFWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":257.085175,"smiles":"OC1=CC=C(C=C1)[C@H]2CC3=C(C(=O)O2)C(O)=CC=C3","spectrum_id":"CCMSLIB00000847737","spectrum_index":1467},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247503-02!(3R)-8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one","exact_mass":256.074,"inchikey":"DGKDFNDHPXVXHW-CYBMUJFWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.111633,"smiles":"OC1=CC=C(C=C1)[C@H]2CC3=C(C(=O)O2)C(O)=CC=C3","spectrum_id":"CCMSLIB00000847738","spectrum_index":1468},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385210-01!8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one","exact_mass":260.105,"inchikey":"SQSRYWNOKPJENY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.116486,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1CC(O)C(C)=C","spectrum_id":"CCMSLIB00000847739","spectrum_index":1469},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385210-01!8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one","exact_mass":260.105,"inchikey":"SQSRYWNOKPJENY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":243.105392,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1CC(O)C(C)=C","spectrum_id":"CCMSLIB00000847740","spectrum_index":1470},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385210-01!8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one","exact_mass":260.105,"inchikey":"SQSRYWNOKPJENY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":278.143372,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1CC(O)C(C)=C","spectrum_id":"CCMSLIB00000847741","spectrum_index":1471},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385205-01!7-methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one","exact_mass":294.11,"inchikey":"PCSZTTAMZGNQNB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.122345,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(O)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00000847742","spectrum_index":1472},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385205-01!7-methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one","exact_mass":294.11,"inchikey":"PCSZTTAMZGNQNB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.111359,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(O)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00000847743","spectrum_index":1473},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169090-02!2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine","exact_mass":478.283,"inchikey":"FBRKYRSUSJWLHH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.297333,"smiles":"CCC1CN2CCC3=C(C=C(OC)C(OC)=C3)C2CC1CC4=NCCC5=C4C=C(OC)C(OC)=C5","spectrum_id":"CCMSLIB00000847744","spectrum_index":1474},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385209-01![2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-8-yl] acetate","exact_mass":520.122,"inchikey":"XCQNRWMPPLJRCM-PZSVWFBASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.136291,"smiles":"COC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)=C(OC2=C1OC(C)=O)C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00000847745","spectrum_index":1475},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385512-01!5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":522.137,"inchikey":"GGMCFLXPZMBJMV-NPVWYNPDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.1521,"smiles":"COC1=C(O)C=C(C=C1)C2=C(OC)C(=O)C3=C(O)C(OC)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2","spectrum_id":"CCMSLIB00000847746","spectrum_index":1476},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385199-01!2-[3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]-5,7-dihydroxychromen-4-one","exact_mass":610.153,"inchikey":"XKAYFELZCPZDEK-IPOZFMEPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.169189,"smiles":"OC[C@H]1O[C@@H](OC2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C(C=C2)C4=CC(=O)C5=C(O)C=C(O)C=C5O4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847748","spectrum_index":1477},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385199-01!2-[3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]-5,7-dihydroxychromen-4-one","exact_mass":610.153,"inchikey":"XKAYFELZCPZDEK-IPOZFMEPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":628.202271,"smiles":"OC[C@H]1O[C@@H](OC2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C(C=C2)C4=CC(=O)C5=C(O)C=C(O)C=C5O4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847749","spectrum_index":1478},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095626-04!4-methoxy-7-methylfuro[3,2-g]chromen-5-one","exact_mass":230.058,"inchikey":"NZVQLVGOZRELTG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.069153,"smiles":"COC1=C2C=COC2=CC3=C1C(=O)C=C(C)O3","spectrum_id":"CCMSLIB00000847750","spectrum_index":1479},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347385-02!(2S,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one","exact_mass":356.126,"inchikey":"IPWPEUJWMOPJDG-MOPGFXCFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.138855,"smiles":"CC(C)=CCC1=C(O)C=C(O)C2=C1O[C@H]([C@H](O)C2=O)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000847751","spectrum_index":1480},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163596-04!5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one","exact_mass":464.095,"inchikey":"DCYOADKBABEMIQ-OWMUPTOHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.109009,"smiles":"C[C@@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C4=CC(O)=C(O)C(O)=C4)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847752","spectrum_index":1481},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386048-01!5-hydroxy-2-[1-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,5-dien-1-yl]-7-methoxychromen-4-one","exact_mass":464.132,"inchikey":"ACGWJYPSNRKNPW-SRNLTMNISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.145508,"smiles":"COC1=CC(O)=C2C(=O)C=C(OC2=C1)C3(O)C=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3","spectrum_id":"CCMSLIB00000847753","spectrum_index":1482},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386048-01!5-hydroxy-2-[1-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,5-dien-1-yl]-7-methoxychromen-4-one","exact_mass":464.132,"inchikey":"ACGWJYPSNRKNPW-SRNLTMNISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.135956,"smiles":"COC1=CC(O)=C2C(=O)C=C(OC2=C1)C3(O)C=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3","spectrum_id":"CCMSLIB00000847754","spectrum_index":1483},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386050-01!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid","exact_mass":490.111,"inchikey":"ZEKXCIHGJAZTEW-VLXBDIDVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":491.125519,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(O)C(OC)=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3O2","spectrum_id":"CCMSLIB00000847755","spectrum_index":1484},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386050-01!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid","exact_mass":490.111,"inchikey":"ZEKXCIHGJAZTEW-VLXBDIDVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":473.108429,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(O)C(OC)=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3O2","spectrum_id":"CCMSLIB00000847756","spectrum_index":1485},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386049-01!3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","exact_mass":610.153,"inchikey":"CAENGMLSMONNBU-QLYOBGCHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.169434,"smiles":"C[C@@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C=C4)[C@H](O)[C@H](O)[C@H]1O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O","spectrum_id":"CCMSLIB00000847757","spectrum_index":1486},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180524-02!4,7-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one","exact_mass":268.167,"inchikey":"YMOQABSTCGJNMC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.177124,"smiles":"CC1=CC(=O)C2C(C)(C)C(O)CCC2(C)C1(O)CO","spectrum_id":"CCMSLIB00000847758","spectrum_index":1487},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381075-01!3-(2,4-dihydroxypentyl)-6,8-dimethoxyisochromen-1-one","exact_mass":308.126,"inchikey":"UGHXSOJROIYABR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.136292,"smiles":"COC1=CC(OC)=C2C(=O)OC(CC(O)CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00000847759","spectrum_index":1488},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381075-01!3-(2,4-dihydroxypentyl)-6,8-dimethoxyisochromen-1-one","exact_mass":308.126,"inchikey":"UGHXSOJROIYABR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.11792,"smiles":"COC1=CC(OC)=C2C(=O)OC(CC(O)CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00000847760","spectrum_index":1489},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347864-02!5-[6-(3-hydroxy-4-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol","exact_mass":358.142,"inchikey":"VRHZMFGDDGFRLP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.152527,"smiles":"COC1=CC=C(C=C1O)C2OCC3C2COC3C4=CC=C(OC)C(O)=C4","spectrum_id":"CCMSLIB00000847761","spectrum_index":1490},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347864-02!5-[6-(3-hydroxy-4-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol","exact_mass":358.142,"inchikey":"VRHZMFGDDGFRLP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.141907,"smiles":"COC1=CC=C(C=C1O)C2OCC3C2COC3C4=CC=C(OC)C(O)=C4","spectrum_id":"CCMSLIB00000847762","spectrum_index":1491},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347460-02!7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-8-(3-methylbut-2-enyl)chromen-2-one","exact_mass":366.219,"inchikey":"NKCISAZZXKYCSK-XDJHFCHBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.230957,"smiles":"CC(C)=CCC\\C(C)=C\\COC1=CC=C2C=CC(=O)OC2=C1CC=C(C)C","spectrum_id":"CCMSLIB00000847763","spectrum_index":1492},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381074-01![1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbut-2-enoate","exact_mass":376.152,"inchikey":"STYCQQCWPHBTIH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.1633,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(O)C(OC(=O)C=C(C)C)C(C)(C)O","spectrum_id":"CCMSLIB00000847764","spectrum_index":1493},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381074-01![1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbut-2-enoate","exact_mass":376.152,"inchikey":"STYCQQCWPHBTIH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.193298,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(O)C(OC(=O)C=C(C)C)C(C)(C)O","spectrum_id":"CCMSLIB00000847766","spectrum_index":1494},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385654-01!7-hydroxy-6-methoxy-8-(3-methylbut-2-enyl)chromen-2-one","exact_mass":260.105,"inchikey":"IIEIJMSDKBAFFP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.11026,"smiles":"COC1=C(O)C(CC=C(C)C)=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00000847767","spectrum_index":1495},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385654-01!7-hydroxy-6-methoxy-8-(3-methylbut-2-enyl)chromen-2-one","exact_mass":260.105,"inchikey":"IIEIJMSDKBAFFP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.093872,"smiles":"COC1=C(O)C(CC=C(C)C)=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00000847768","spectrum_index":1496},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385667-01!6-hydroxy-5-methoxy-2-phenylchromen-4-one","exact_mass":268.074,"inchikey":"OIOAFLUQYGYCKL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.078979,"smiles":"COC1=C2C(=O)C=C(OC2=CC=C1O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000847769","spectrum_index":1497},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385660-01!(10R)-2,8-dihydroxy-1-methoxy-6-methyl-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one","exact_mass":432.142,"inchikey":"RVKRJABUQLMQNO-IPZRHRPYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.146667,"smiles":"COC1=C(O)C=CC2=C1C(=O)C3=C(O)C=C(C)C=C3[C@@H]2[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000847770","spectrum_index":1498},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385660-01!(10R)-2,8-dihydroxy-1-methoxy-6-methyl-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one","exact_mass":432.142,"inchikey":"RVKRJABUQLMQNO-IPZRHRPYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.10199,"smiles":"COC1=C(O)C=CC2=C1C(=O)C3=C(O)C=C(C)C=C3[C@@H]2[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000847771","spectrum_index":1499},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169775-02!4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":462.116,"inchikey":"JZBHUVGJBWDUSA-RECXWPGBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.120148,"smiles":"COC1=CC2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C1)C(=CC(=O)O2)C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00000847772","spectrum_index":1500},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385646-01!7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":610.19,"inchikey":"AODBEDTXATXPNK-FCNYPLLVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.193359,"smiles":"COC1=C(O)C=CC(=C1)C2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C3O2","spectrum_id":"CCMSLIB00000847773","spectrum_index":1501},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385646-01!7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":610.19,"inchikey":"AODBEDTXATXPNK-FCNYPLLVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":628.218445,"smiles":"COC1=C(O)C=CC(=C1)C2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C3O2","spectrum_id":"CCMSLIB00000847774","spectrum_index":1502},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385646-01!7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":610.19,"inchikey":"AODBEDTXATXPNK-FCNYPLLVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":649.1651,"smiles":"COC1=C(O)C=CC(=C1)C2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C3O2","spectrum_id":"CCMSLIB00000847775","spectrum_index":1503},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385666-01!(1R,2S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide","exact_mass":684.268,"inchikey":"IFNFMIMLJKQPGW-ZQWAWDFXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":685.270691,"smiles":"COC1=CC(=CC(OC)=C1O)[C@H]2[C@H](C(=O)NCCC3=CC=C(O)C=C3)C(=CC4=CC(OC)=C(O)C(OC)=C24)C(=O)NCCC5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000847776","spectrum_index":1504},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385666-01!(1R,2S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide","exact_mass":684.268,"inchikey":"IFNFMIMLJKQPGW-ZQWAWDFXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":707.252625,"smiles":"COC1=CC(=CC(OC)=C1O)[C@H]2[C@H](C(=O)NCCC3=CC=C(O)C=C3)C(=CC4=CC(OC)=C(O)C(OC)=C24)C(=O)NCCC5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000847777","spectrum_index":1505},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385940-01!8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one","exact_mass":228.079,"inchikey":"WLRXMMDATRQQNQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.089859,"smiles":"CC(=C)C1CC2=C3OC(=O)C=CC3=CC=C2O1","spectrum_id":"CCMSLIB00000847778","spectrum_index":1506},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015365-21!7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one","exact_mass":254.058,"inchikey":"ZQSIJRDFPHDXIC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.069229,"smiles":"OC1=CC=C(C=C1)C2=COC3=C(C=CC(O)=C3)C2=O","spectrum_id":"CCMSLIB00000847779","spectrum_index":1507},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347545-02!5-hydroxy-7-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one","exact_mass":434.173,"inchikey":"PTYKSEHNIOQJNZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.18631,"smiles":"COC1=CC(O)=CC=C1C2=COC3=C(CC=C(C)C)C4=C(C=CC(C)(C)O4)C(O)=C3C2=O","spectrum_id":"CCMSLIB00000847780","spectrum_index":1508},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347545-02!5-hydroxy-7-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one","exact_mass":434.173,"inchikey":"PTYKSEHNIOQJNZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.171753,"smiles":"COC1=CC(O)=CC=C1C2=COC3=C(CC=C(C)C)C4=C(C=CC(C)(C)O4)C(O)=C3C2=O","spectrum_id":"CCMSLIB00000847781","spectrum_index":1509},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347545-02!5-hydroxy-7-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one","exact_mass":434.173,"inchikey":"PTYKSEHNIOQJNZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":476.219177,"smiles":"COC1=CC(O)=CC=C1C2=COC3=C(CC=C(C)C)C4=C(C=CC(C)(C)O4)C(O)=C3C2=O","spectrum_id":"CCMSLIB00000847782","spectrum_index":1510},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179718-03!(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid","exact_mass":516.127,"inchikey":"UFCLZKMFXSILNL-PSEXTPKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.141357,"smiles":"O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)[C@@H]1OC(=O)\\C=C\\C3=CC(O)=C(O)C=C3)C(O)=O","spectrum_id":"CCMSLIB00000847783","spectrum_index":1511},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179718-03!(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid","exact_mass":516.127,"inchikey":"UFCLZKMFXSILNL-PSEXTPKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":534.167297,"smiles":"O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)[C@@H]1OC(=O)\\C=C\\C3=CC(O)=C(O)C=C3)C(O)=O","spectrum_id":"CCMSLIB00000847784","spectrum_index":1512},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016418-16!9-methoxyfuro[3,2-g]chromen-7-one","exact_mass":216.042,"inchikey":"QXKHYNVANLEOEG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":217.049454,"smiles":"COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00000847785","spectrum_index":1513},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016418-16!9-methoxyfuro[3,2-g]chromen-7-one","exact_mass":216.042,"inchikey":"QXKHYNVANLEOEG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":234.075912,"smiles":"COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00000847786","spectrum_index":1514},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247525-02!7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":256.074,"inchikey":"FURUXTVZLHCCNA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":257.081116,"smiles":"OC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(O)C=C3","spectrum_id":"CCMSLIB00000847787","spectrum_index":1515},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017236-14!5,6,7-trihydroxy-2-phenylchromen-4-one","exact_mass":270.053,"inchikey":"FXNFHKRTJBSTCS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.060394,"smiles":"OC1=CC2=C(C(=O)C=C(O2)C3=CC=CC=C3)C(O)=C1O","spectrum_id":"CCMSLIB00000847788","spectrum_index":1516},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386031-01!(2S,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydrochromen-4-one","exact_mass":288.063,"inchikey":"FNUPUYFWZXZMIE-CABCVRRESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.071014,"smiles":"O[C@H]1[C@@H](OC2=CC(O)=CC=C2C1=O)C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000847789","spectrum_index":1517},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169457-02!5-[(1S,2R,4aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid","exact_mass":322.251,"inchikey":"FVXAJZRADGVLQM-FVUCEDHYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.24762,"smiles":"CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2CO)CC(O)=O","spectrum_id":"CCMSLIB00000847791","spectrum_index":1518},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386025-01!hexadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","exact_mass":418.308,"inchikey":"ZISDTRGMDDVTKY-CZIZESTLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.31601,"smiles":"CCCCCCCCCCCCCCCCOC(=O)\\C=C\\C1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00000847792","spectrum_index":1519},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180448-02!bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-(2-methylpropyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioate","exact_mass":888.326,"inchikey":"QUCKZYFUROTIBC-HDQVGPIMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":906.356628,"smiles":"CC(C)C[C@](CC(=O)OCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)OCC4=CC=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4","spectrum_id":"CCMSLIB00000847793","spectrum_index":1520},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168939-02!8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one","exact_mass":248.105,"inchikey":"KEYNBOUNPFJEST-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.110489,"smiles":"CC(=O)CCCC1CC2=C(C(=O)O1)C(O)=CC=C2","spectrum_id":"CCMSLIB00000847794","spectrum_index":1521},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168939-02!8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one","exact_mass":248.105,"inchikey":"KEYNBOUNPFJEST-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":266.137146,"smiles":"CC(=O)CCCC1CC2=C(C(=O)O1)C(O)=CC=C2","spectrum_id":"CCMSLIB00000847795","spectrum_index":1522},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380622-01!3,5-dihydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carboxylic acid","exact_mass":254.043,"inchikey":"MUGQOWYFWURKCM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.075104,"smiles":"COC1=C2C(=O)OC(O)C2=C(C(O)=O)C(O)=C1C","spectrum_id":"CCMSLIB00000847796","spectrum_index":1523},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380473-01!2-hydroxy-1-methoxyanthracene-9,10-dione","exact_mass":254.058,"inchikey":"VRGZEPNGEFBVIZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.063782,"smiles":"COC1=C(O)C=CC2=C1C(=O)C3=CC=CC=C3C2=O","spectrum_id":"CCMSLIB00000847797","spectrum_index":1524},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380621-01!4-oxo-4-(3-oxodecan-2-ylamino)butanoic acid","exact_mass":271.178,"inchikey":"DGBNCMKQNOJCFB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.184265,"smiles":"CCCCCCCC(=O)C(C)NC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00000847798","spectrum_index":1525},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347558-02!4-amino-2-hydroxy-5-[[1-hydroxy-1-(5-oxo-6-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid","exact_mass":326.148,"inchikey":"SYGQXRLXOOXDRP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.153229,"smiles":"CC(NC(=O)C(N)CC(O)C(O)=O)C(O)C12CC1CC=CC2=O","spectrum_id":"CCMSLIB00000847799","spectrum_index":1526},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347558-02!4-amino-2-hydroxy-5-[[1-hydroxy-1-(5-oxo-6-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid","exact_mass":326.148,"inchikey":"SYGQXRLXOOXDRP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.1427,"smiles":"CC(NC(=O)C(N)CC(O)C(O)=O)C(O)C12CC1CC=CC2=O","spectrum_id":"CCMSLIB00000847800","spectrum_index":1527},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380883-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-dihydroxy-2,3,3a-trimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one","exact_mass":404.184,"inchikey":"DTHZYTRJZMDQLM-QWMBVKPUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.188477,"smiles":"COC1=CC(=O)OC(\\C=C\\C=C\\C=C\\[C@H]2O[C@H]3O[C@H](C)[C@](C)(O)[C@@]3(C)[C@H]2O)=C1C","spectrum_id":"CCMSLIB00000847801","spectrum_index":1528},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380883-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-dihydroxy-2,3,3a-trimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one","exact_mass":404.184,"inchikey":"DTHZYTRJZMDQLM-QWMBVKPUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":422.214508,"smiles":"COC1=CC(=O)OC(\\C=C\\C=C\\C=C\\[C@H]2O[C@H]3O[C@H](C)[C@](C)(O)[C@@]3(C)[C@H]2O)=C1C","spectrum_id":"CCMSLIB00000847802","spectrum_index":1529},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380884-01!(2S,3R,10R,13R,14S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,5-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","exact_mass":494.324,"inchikey":"YXPVYQIMXPYFSF-IBKWGOALSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":495.328552,"smiles":"CC(C)[C@](C)(O)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00000847803","spectrum_index":1530},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380884-01!(2S,3R,10R,13R,14S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,5-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","exact_mass":494.324,"inchikey":"YXPVYQIMXPYFSF-IBKWGOALSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":477.317719,"smiles":"CC(C)[C@](C)(O)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00000847804","spectrum_index":1531},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179986-02!2-[[4-[2-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoyl]amino]propanoic acid","exact_mass":757.222,"inchikey":"RBFOMTAWEHHDSX-TZHFLBFYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":758.224854,"smiles":"COC1=CC(O)=C(C(=O)OC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(C)=O)=C(C(=O)OC4=CC(O)=C(C(=O)NC(C)C(O)=O)C(C)=C4)C(C)=C2)C(C)=C1","spectrum_id":"CCMSLIB00000847805","spectrum_index":1532},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380293-01!6-benzyl-4-oxo-1H-pyridine-3-carboxamide","exact_mass":228.09,"inchikey":"RUUZDCZRFRLJFC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.09964,"smiles":"NC(=O)C1=CNC(CC2=CC=CC=C2)=CC1=O","spectrum_id":"CCMSLIB00000847806","spectrum_index":1533},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347880-02!2-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid","exact_mass":331.174,"inchikey":"OSDHWYZIXWDLGD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":332.184998,"smiles":"CC(C)CC(NC(C)=O)C(=O)NC(C)C(=O)NC(CO)C(O)=O","spectrum_id":"CCMSLIB00000847807","spectrum_index":1534},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347880-02!2-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid","exact_mass":331.174,"inchikey":"OSDHWYZIXWDLGD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":354.165894,"smiles":"CC(C)CC(NC(C)=O)C(=O)NC(C)C(=O)NC(CO)C(O)=O","spectrum_id":"CCMSLIB00000847808","spectrum_index":1535},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380224-01!1,7-bis(3,4-dihydroxyphenyl)-6-methoxyheptan-3-one","exact_mass":360.157,"inchikey":"IPZZBVCXYLYDGH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.167999,"smiles":"COC(CCC(=O)CCC1=CC=C(O)C(O)=C1)CC2=CC(O)=C(O)C=C2","spectrum_id":"CCMSLIB00000847809","spectrum_index":1536},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380224-01!1,7-bis(3,4-dihydroxyphenyl)-6-methoxyheptan-3-one","exact_mass":360.157,"inchikey":"IPZZBVCXYLYDGH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.193726,"smiles":"COC(CCC(=O)CCC1=CC=C(O)C(O)=C1)CC2=CC(O)=C(O)C=C2","spectrum_id":"CCMSLIB00000847810","spectrum_index":1537},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380226-01!3-methoxy-4-[2-methoxy-4-(1,2,3-trihydroxypropyl)phenoxy]benzoic acid","exact_mass":364.116,"inchikey":"ZBUMLAXYOMYUCL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.116089,"smiles":"COC1=CC(=CC=C1OC2=C(OC)C=C(C=C2)C(O)=O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000847811","spectrum_index":1538},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380226-01!3-methoxy-4-[2-methoxy-4-(1,2,3-trihydroxypropyl)phenoxy]benzoic acid","exact_mass":364.116,"inchikey":"ZBUMLAXYOMYUCL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":382.153961,"smiles":"COC1=CC(=CC=C1OC2=C(OC)C=C(C=C2)C(O)=O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000847812","spectrum_index":1539},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380221-01!1-[4-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol","exact_mass":374.173,"inchikey":"CAXDNOAMAQQQMX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":392.210236,"smiles":"COC1=CC(CCC2=CC=C(OCC(O)C(C)(C)O)C=C2)=CC3=C1OCO3","spectrum_id":"CCMSLIB00000847813","spectrum_index":1540},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380225-01!3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid","exact_mass":376.152,"inchikey":"HOXFNEPVXKQDSO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.162903,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(C=C2)C(O)=O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000847814","spectrum_index":1541},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380225-01!3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid","exact_mass":376.152,"inchikey":"HOXFNEPVXKQDSO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.18927,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(C=C2)C(O)=O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000847815","spectrum_index":1542},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380227-01!(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid","exact_mass":420.142,"inchikey":"ZWBYHLQWDBQQQU-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.142792,"smiles":"COC1=CC(=CC=C1O)C(O)C(CO)OC2=C(OC)C=C(\\C=C\\C(O)=O)C=C2OC","spectrum_id":"CCMSLIB00000847816","spectrum_index":1543},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380220-01!3-[14-hydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","exact_mass":858.425,"inchikey":"GZVMBXDQUQRICT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":859.436829,"smiles":"COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000847817","spectrum_index":1544},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380220-01!3-[14-hydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","exact_mass":858.425,"inchikey":"GZVMBXDQUQRICT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":876.464172,"smiles":"COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000847818","spectrum_index":1545},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095897-03!2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":240.079,"inchikey":"ZLHVIYHWWQYJID-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":241.086472,"smiles":"OC1=CC=C(C=C1)C2CC(=O)C3=CC=CC=C3O2","spectrum_id":"CCMSLIB00000847819","spectrum_index":1546},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178117-02!(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one","exact_mass":246.089,"inchikey":"FWYSBEAFFPBAQU-LBPRGKRZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.097275,"smiles":"CC(C)(O)[C@@H]1CC2=C(O1)C=C3OC(=O)C=CC3=C2","spectrum_id":"CCMSLIB00000847820","spectrum_index":1547},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169277-02!3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid","exact_mass":248.068,"inchikey":"PPZVSYXNLXFYAD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.076431,"smiles":"OC(=O)CCC1OC(=O)C(O)=C1C2=CC=CC=C2","spectrum_id":"CCMSLIB00000847821","spectrum_index":1548},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169277-02!3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid","exact_mass":248.068,"inchikey":"PPZVSYXNLXFYAD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":266.102692,"smiles":"OC(=O)CCC1OC(=O)C(O)=C1C2=CC=CC=C2","spectrum_id":"CCMSLIB00000847822","spectrum_index":1549},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385713-01!1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptane-3,5-diol","exact_mass":330.183,"inchikey":"GGNVNVJXTWDKHG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.191284,"smiles":"COC1=C(O)C=CC(CCC(O)CC(O)CCC2=CC=CC=C2)=C1","spectrum_id":"CCMSLIB00000847823","spectrum_index":1550},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380692-01!3-[5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-8-yl]hexanoic acid","exact_mass":404.22,"inchikey":"UDVTWMLZUGXNQM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.228363,"smiles":"CCCC(CC(O)=O)C1=C2OC(C)C(C)C(=O)C2=C(O)C(CC=C(C)C)=C1OC","spectrum_id":"CCMSLIB00000847824","spectrum_index":1551},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380692-01!3-[5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-8-yl]hexanoic acid","exact_mass":404.22,"inchikey":"UDVTWMLZUGXNQM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.214569,"smiles":"CCCC(CC(O)=O)C1=C2OC(C)C(C)C(=O)C2=C(O)C(CC=C(C)C)=C1OC","spectrum_id":"CCMSLIB00000847825","spectrum_index":1552},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385721-01![(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":632.101,"inchikey":"FOMYLMGOSTVYEE-LEENXRGASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":633.109009,"smiles":"O[C@@H]1[C@H](O)[C@@H](O)[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C(O)=C4)O[C@@H]1COC(=O)C5=CC(O)=C(O)C(O)=C5","spectrum_id":"CCMSLIB00000847826","spectrum_index":1553},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385721-01![(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":632.101,"inchikey":"FOMYLMGOSTVYEE-LEENXRGASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":650.136719,"smiles":"O[C@@H]1[C@H](O)[C@@H](O)[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C(O)=C4)O[C@@H]1COC(=O)C5=CC(O)=C(O)C(O)=C5","spectrum_id":"CCMSLIB00000847827","spectrum_index":1554},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385778-01!5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one","exact_mass":370.142,"inchikey":"UQFQODVSORPELA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.146179,"smiles":"COC1=C(O)C(CC=C(C)C)=CC(=C1)C2CC(=O)C3=C(O)C=C(O)C=C3O2","spectrum_id":"CCMSLIB00000847828","spectrum_index":1555},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385712-01![5-chloro-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxo-2H-isoquinolin-7-yl] 3,5-dihydroxyhexanoate","exact_mass":447.145,"inchikey":"NCHVDWWMGYMNEG-ZAJAATJQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":448.149139,"smiles":"C\\C=C\\C=C\\C=C\\C1=CC2=C(Cl)C(=O)C(C)(OC(=O)CC(O)CC(C)O)C(=O)C2=CN1","spectrum_id":"CCMSLIB00000847829","spectrum_index":1556},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385623-01!4,6-dihydroxy-3-(6-hydroxy-1-oxo-3-pentylisochromen-8-yl)oxy-2-pentylbenzoic acid","exact_mass":470.194,"inchikey":"BRRNOCJIAXDCCX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.197937,"smiles":"CCCCCC1=CC2=C(C(=O)O1)C(OC3=C(CCCCC)C(C(O)=O)=C(O)C=C3O)=CC(O)=C2","spectrum_id":"CCMSLIB00000847830","spectrum_index":1557},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385623-01!4,6-dihydroxy-3-(6-hydroxy-1-oxo-3-pentylisochromen-8-yl)oxy-2-pentylbenzoic acid","exact_mass":470.194,"inchikey":"BRRNOCJIAXDCCX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.180206,"smiles":"CCCCCC1=CC2=C(C(=O)O1)C(OC3=C(CCCCC)C(C(O)=O)=C(O)C=C3O)=CC(O)=C2","spectrum_id":"CCMSLIB00000847831","spectrum_index":1558},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385636-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-methoxy-3-(4-methoxyphenyl)chromen-4-one","exact_mass":592.179,"inchikey":"OLLIISPFUQXHLB-WXLOFIPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.182068,"smiles":"COC1=CC=C(C=C1)C2=COC3=C(OC)C(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3C2=O","spectrum_id":"CCMSLIB00000847832","spectrum_index":1559},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385636-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-methoxy-3-(4-methoxyphenyl)chromen-4-one","exact_mass":592.179,"inchikey":"OLLIISPFUQXHLB-WXLOFIPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":615.165039,"smiles":"COC1=CC=C(C=C1)C2=COC3=C(OC)C(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3C2=O","spectrum_id":"CCMSLIB00000847833","spectrum_index":1560},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380483-02!2-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8,10-trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-one","exact_mass":850.232,"inchikey":"XVYHBBAKYWDFRE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":851.233032,"smiles":"OCC1OC(C(O)C(O)C1O)C2(O)C3=C(C(=O)C4=C2C=C(CO)C=C4O)C(O)=C(C=C3)C6(C5OC(CO)C(O)C(O)C5O)C7=CC=CC(O)=C7C(=O)C8=C6C=C(CO)C=C8O","spectrum_id":"CCMSLIB00000847834","spectrum_index":1561},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380483-02!2-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8,10-trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-one","exact_mass":850.232,"inchikey":"XVYHBBAKYWDFRE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":868.260376,"smiles":"OCC1OC(C(O)C(O)C1O)C2(O)C3=C(C(=O)C4=C2C=C(CO)C=C4O)C(O)=C(C=C3)C6(C5OC(CO)C(O)C(O)C5O)C7=CC=CC(O)=C7C(=O)C8=C6C=C(CO)C=C8O","spectrum_id":"CCMSLIB00000847835","spectrum_index":1562},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381413-01!4-hydroxy-3,6-dimethylpyran-2-one","exact_mass":140.047,"inchikey":"VVBIGJOVPZMWGU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":141.053391,"smiles":"CC1=CC(O)=C(C)C(=O)O1","spectrum_id":"CCMSLIB00000847838","spectrum_index":1563},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180743-02!9-methoxycarbonyldec-9-enoic acid","exact_mass":228.136,"inchikey":"ZUNJWEGRDSXKIO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.143036,"smiles":"COC(=O)C(=C)CCCCCCCC(O)=O","spectrum_id":"CCMSLIB00000847839","spectrum_index":1564},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180743-02!9-methoxycarbonyldec-9-enoic acid","exact_mass":228.136,"inchikey":"ZUNJWEGRDSXKIO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.124741,"smiles":"COC(=O)C(=C)CCCCCCCC(O)=O","spectrum_id":"CCMSLIB00000847840","spectrum_index":1565},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163580-03!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":448.101,"inchikey":"JPUKWEQWGBDDQB-QSOFNFLRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.106567,"smiles":"OC[C@H]1O[C@@H](OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847842","spectrum_index":1566},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381416-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate","exact_mass":510.268,"inchikey":"NJYYDRBRLSOFNG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":511.273468,"smiles":"CCC(C)C(O)C(=O)OC(C(C)C)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000847843","spectrum_index":1567},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381416-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate","exact_mass":510.268,"inchikey":"NJYYDRBRLSOFNG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":528.299805,"smiles":"CCC(C)C(O)C(=O)OC(C(C)C)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000847844","spectrum_index":1568},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385513-01!4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)oxolan-2-one","exact_mass":268.095,"inchikey":"ITWCBKGNWXDVFP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.127777,"smiles":"OC(C(O)C1OC(=O)CC1O)C(O)C2=CC=CC=C2","spectrum_id":"CCMSLIB00000847845","spectrum_index":1569},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095524-04!3,9-dimethoxy-6H-[1]benzofuro[3,2-c]chromene","exact_mass":282.089,"inchikey":"FLEXCYTURSFUNC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.096039,"smiles":"COC1=CC=C2C(OC3=C2COC4=C3C=CC(OC)=C4)=C1","spectrum_id":"CCMSLIB00000847846","spectrum_index":1570},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179911-02!5-(3-hydroxy-4,5-dimethoxyphenyl)-2,3-dimethoxyphenol","exact_mass":306.11,"inchikey":"XJPCKCPPUGVPJL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.117096,"smiles":"COC1=C(OC)C(O)=CC(=C1)C2=CC(OC)=C(OC)C(O)=C2","spectrum_id":"CCMSLIB00000847847","spectrum_index":1571},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163663-02!","exact_mass":400.189,"inchikey":"RTZKSTLPRTWFEV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.194855,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(CC(C)C(C)C2)C=C4OCOC4=C3OC","spectrum_id":"CCMSLIB00000847848","spectrum_index":1572},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163663-02!","exact_mass":400.189,"inchikey":"RTZKSTLPRTWFEV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.221436,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(CC(C)C(C)C2)C=C4OCOC4=C3OC","spectrum_id":"CCMSLIB00000847849","spectrum_index":1573},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179935-02!(5S)-1,7-bis(3,4-dihydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one","exact_mass":478.184,"inchikey":"AQRNEKDRSXYJIN-IRFILORWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":496.215515,"smiles":"O[C@@H]1CO[C@@H](O[C@@H](CCC2=CC(O)=C(O)C=C2)CC(=O)CCC3=CC(O)=C(O)C=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847850","spectrum_index":1574},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381124-01!methyl 3,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylate","exact_mass":300.063,"inchikey":"MJOGVUMPZLEYIH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.073212,"smiles":"COC(=O)C1=CC(O)=CC2=C1C(=O)C3=C(O)C=C(C)C=C3O2","spectrum_id":"CCMSLIB00000847851","spectrum_index":1575},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385763-01!(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate","exact_mass":304.095,"inchikey":"IPUBQCBQSUVXEV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.104401,"smiles":"CC(=O)OC1C(O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00000847852","spectrum_index":1576},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385763-01!(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate","exact_mass":304.095,"inchikey":"IPUBQCBQSUVXEV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.093842,"smiles":"CC(=O)OC1C(O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00000847853","spectrum_index":1577},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381126-01!6,7-bis(hydroxymethyl)-1-methoxy-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2,3-diol","exact_mass":420.178,"inchikey":"GTTIZNSGYQWIRL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.18808,"smiles":"COC1=CC(=CC(OC)=C1OC)C2C(CO)C(CO)CC3=CC(O)=C(O)C(OC)=C23","spectrum_id":"CCMSLIB00000847854","spectrum_index":1578},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385781-01!(2R,3R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":424.189,"inchikey":"WCWOWFQELCQQCI-AUSBBASTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.198517,"smiles":"CC(C)=CCC\\C(C)=C\\CC1=C(O)C=C2O[C@@H]([C@@H](O)C(=O)C2=C1O)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000847855","spectrum_index":1579},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385782-01!(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one","exact_mass":466.111,"inchikey":"OSFCFXQMAHURHU-OIKOUPSRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":467.121765,"smiles":"OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C=C3O[C@@H]([C@@H](O)C(=O)C3=C2O)C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00000847856","spectrum_index":1580},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385782-01!(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one","exact_mass":466.111,"inchikey":"OSFCFXQMAHURHU-OIKOUPSRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.110931,"smiles":"OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C=C3O[C@@H]([C@@H](O)C(=O)C3=C2O)C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00000847857","spectrum_index":1581},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168943-02![(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate","exact_mass":506.106,"inchikey":"IGLUNMMNDNWZOA-LNNZMUSMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":507.116577,"smiles":"CC(=O)OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C4=CC(O)=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847858","spectrum_index":1582},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380439-01!3,6-dihydroxy-1-methoxyxanthen-9-one","exact_mass":258.053,"inchikey":"VLJAMZIVBOJAKI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.062256,"smiles":"COC1=C2C(=O)C3=C(OC2=CC(O)=C1)C=C(O)C=C3","spectrum_id":"CCMSLIB00000847859","spectrum_index":1583},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170013-02!","exact_mass":282.147,"inchikey":"LKOCXGZSSYQSLN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.156158,"smiles":"CC(C)(O)C1=CCC23COC(C2)C(O)(CCC13)C(O)=O","spectrum_id":"CCMSLIB00000847860","spectrum_index":1584},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170013-02!","exact_mass":282.147,"inchikey":"LKOCXGZSSYQSLN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.1828,"smiles":"CC(C)(O)C1=CCC23COC(C2)C(O)(CCC13)C(O)=O","spectrum_id":"CCMSLIB00000847861","spectrum_index":1585},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380450-01!6-[2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5,7-dimethoxychromen-2-one","exact_mass":470.179,"inchikey":"YVMUBJPWZKUGBC-NUTNSJPXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.190521,"smiles":"COC1=C(CC(O)C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(OC)=C3C=CC(=O)OC3=C1","spectrum_id":"CCMSLIB00000847862","spectrum_index":1586},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380440-01!2-[[(E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl]amino]pentanedioic acid","exact_mass":501.163,"inchikey":"VWYFHPLNVVPMNO-XVNBXDOJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":502.175018,"smiles":"COC1=CC(\\C=C\\C(=O)NC(CCC(O)=O)C(O)=O)=CC2=C1OC(C2CO)C3=CC(OC)=C(O)C=C3","spectrum_id":"CCMSLIB00000847863","spectrum_index":1587},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380480-01![(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate","exact_mass":666.268,"inchikey":"FRZOQPPWSKEZAA-QBZXRRNTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":667.280945,"smiles":"COC1=C(OC)C=C(\\C=C\\C(=O)OC[C@H]2O[C@@H](OC(CCC3=CC=C(O)C=C3)CC(=O)CCC4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]2O)C=C1","spectrum_id":"CCMSLIB00000847864","spectrum_index":1588},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380480-01![(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate","exact_mass":666.268,"inchikey":"FRZOQPPWSKEZAA-QBZXRRNTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":684.306885,"smiles":"COC1=C(OC)C=C(\\C=C\\C(=O)OC[C@H]2O[C@@H](OC(CCC3=CC=C(O)C=C3)CC(=O)CCC4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]2O)C=C1","spectrum_id":"CCMSLIB00000847865","spectrum_index":1589},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016349-11!7-hydroxy-6-methoxychromen-2-one","exact_mass":192.042,"inchikey":"RODXRVNMMDRFIK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":193.049469,"smiles":"COC1=C(O)C=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00000847866","spectrum_index":1590},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016349-11!7-hydroxy-6-methoxychromen-2-one","exact_mass":192.042,"inchikey":"RODXRVNMMDRFIK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":215.031647,"smiles":"COC1=C(O)C=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00000847867","spectrum_index":1591},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384597-01!3a,8-dihydroxy-3,5a,9-trimethyl-4,5,6,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2-one","exact_mass":266.152,"inchikey":"NVXJDQXVTHYURW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.185455,"smiles":"CC1C(=O)OC2C3=C(C)C(O)CCC3(C)CCC12O","spectrum_id":"CCMSLIB00000847870","spectrum_index":1592},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347664-02!1,8,10-trihydroxy-3-methoxy-6-methyl-10-(3-methylbut-2-enyl)anthracen-9-one","exact_mass":354.147,"inchikey":"HKCWOSWEMAUQEH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.15448,"smiles":"COC1=CC(O)=C2C(=O)C3=C(O)C=C(C)C=C3C(O)(CC=C(C)C)C2=C1","spectrum_id":"CCMSLIB00000847871","spectrum_index":1593},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347664-02!1,8,10-trihydroxy-3-methoxy-6-methyl-10-(3-methylbut-2-enyl)anthracen-9-one","exact_mass":354.147,"inchikey":"HKCWOSWEMAUQEH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.143921,"smiles":"COC1=CC(O)=C2C(=O)C3=C(O)C=C(C)C=C3C(O)(CC=C(C)C)C2=C1","spectrum_id":"CCMSLIB00000847872","spectrum_index":1594},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384606-01![4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":368.111,"inchikey":"QXRDTLAXUJONPD-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.117676,"smiles":"CC(=O)OC1C(O)C(CO)OC(O)C1OC(=O)\\C=C\\C2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000847873","spectrum_index":1595},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384606-01![4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":368.111,"inchikey":"QXRDTLAXUJONPD-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.107544,"smiles":"CC(=O)OC1C(O)C(CO)OC(O)C1OC(=O)\\C=C\\C2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000847874","spectrum_index":1596},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384606-01![4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":368.111,"inchikey":"QXRDTLAXUJONPD-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":386.14502,"smiles":"CC(=O)OC1C(O)C(CO)OC(O)C1OC(=O)\\C=C\\C2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000847875","spectrum_index":1597},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384606-01![4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":368.111,"inchikey":"QXRDTLAXUJONPD-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.073242,"smiles":"CC(=O)OC1C(O)C(CO)OC(O)C1OC(=O)\\C=C\\C2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000847876","spectrum_index":1598},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095522-05!(E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid","exact_mass":208.074,"inchikey":"HJBWJAPEBGSQPR-GQCTYLIASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":209.08252,"smiles":"COC1=CC=C(\\C=C\\C(O)=O)C=C1OC","spectrum_id":"CCMSLIB00000847877","spectrum_index":1599},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385856-01!6,8-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one","exact_mass":272.068,"inchikey":"WMAITHDYVBQITD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.077881,"smiles":"OC1=CC=C(C=C1)C2CC3=CC(O)=CC(O)=C3C(=O)O2","spectrum_id":"CCMSLIB00000847878","spectrum_index":1600},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385835-01!4-methoxy-9-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one","exact_mass":284.105,"inchikey":"UZXMLGUMBQQVME-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.114197,"smiles":"COC1=C2C=CC(=O)OC2=C(CC=C(C)C)C3=C1C=CO3","spectrum_id":"CCMSLIB00000847879","spectrum_index":1601},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385829-01!2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one","exact_mass":424.189,"inchikey":"XCYSQFHYFNWYFP-VIZOYTHASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.198944,"smiles":"CC(C)=CCC\\C(C)=C\\CC1=C(O)C=C2OC(CC(=O)C2=C1O)C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000847880","spectrum_index":1602},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385824-01!methyl 2,4,10-triacetyloxy-5,9-dihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate","exact_mass":520.231,"inchikey":"CDYGRHOHQUXDMN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.231812,"smiles":"COC(=O)C1(C)C(CC(OC(C)=O)C2(C)C1C(OC(C)=O)C(O)C3=C2C(O)=CC(=C3)C(C)C)OC(C)=O","spectrum_id":"CCMSLIB00000847881","spectrum_index":1603},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385824-01!methyl 2,4,10-triacetyloxy-5,9-dihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate","exact_mass":520.231,"inchikey":"CDYGRHOHQUXDMN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":538.268921,"smiles":"COC(=O)C1(C)C(CC(OC(C)=O)C2(C)C1C(OC(C)=O)C(O)C3=C2C(O)=CC(=C3)C(C)C)OC(C)=O","spectrum_id":"CCMSLIB00000847882","spectrum_index":1604},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385279-01!4-[(3S)-7-hydroxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol","exact_mass":326.152,"inchikey":"HJYNNFAPXVIBTD-CQSZACIVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.15802,"smiles":"CC(C)=CCC1=C2OC[C@@H](CC2=CC=C1O)C3=C(O)C=C(O)C=C3","spectrum_id":"CCMSLIB00000847883","spectrum_index":1605},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169744-02!(2R)-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one","exact_mass":336.136,"inchikey":"ITOTUSMHIQFNHJ-MRXNPFEDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.142395,"smiles":"COC1=C2C(=O)C[C@@H](OC2=C3C=CC(C)(C)OC3=C1)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000847884","spectrum_index":1606},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347642-02!","exact_mass":364.167,"inchikey":"BQIVXBUAUNSLAJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.17337,"smiles":"CC1(C)C2CCC3(C)OC4=CC(O)=C(C(=O)C5=CC=CC=C5)C(O)=C4C1C23","spectrum_id":"CCMSLIB00000847885","spectrum_index":1607},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347642-02!","exact_mass":364.167,"inchikey":"BQIVXBUAUNSLAJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":382.199341,"smiles":"CC1(C)C2CCC3(C)OC4=CC(O)=C(C(=O)C5=CC=CC=C5)C(O)=C4C1C23","spectrum_id":"CCMSLIB00000847886","spectrum_index":1608},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180305-02!","exact_mass":410.137,"inchikey":"JFVKWCYZKMUTLH-GRWTVWFQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.142731,"smiles":"COC1=C(OC)C=C2C(OC[C@@H]3OC4=C(C=CC5=C4C[C@H](O5)C(C)=C)C(=O)[C@]23O)=C1","spectrum_id":"CCMSLIB00000847887","spectrum_index":1609},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180305-02!","exact_mass":410.137,"inchikey":"JFVKWCYZKMUTLH-GRWTVWFQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.131866,"smiles":"COC1=C(OC)C=C2C(OC[C@@H]3OC4=C(C=CC5=C4C[C@H](O5)C(C)=C)C(=O)[C@]23O)=C1","spectrum_id":"CCMSLIB00000847888","spectrum_index":1610},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180305-02!","exact_mass":410.137,"inchikey":"JFVKWCYZKMUTLH-GRWTVWFQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":452.169159,"smiles":"COC1=C(OC)C=C2C(OC[C@@H]3OC4=C(C=CC5=C4C[C@H](O5)C(C)=C)C(=O)[C@]23O)=C1","spectrum_id":"CCMSLIB00000847889","spectrum_index":1611},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247516-02!","exact_mass":432.215,"inchikey":"YEFOAORQXAOVJQ-RZFZLAGVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.220703,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(OC)C(OC)=C(OC)C=C3C[C@H](C)[C@@](C)(O)C2","spectrum_id":"CCMSLIB00000847893","spectrum_index":1612},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247516-02!","exact_mass":432.215,"inchikey":"YEFOAORQXAOVJQ-RZFZLAGVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.210144,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(OC)C(OC)=C(OC)C=C3C[C@H](C)[C@@](C)(O)C2","spectrum_id":"CCMSLIB00000847894","spectrum_index":1613},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247516-02!","exact_mass":432.215,"inchikey":"YEFOAORQXAOVJQ-RZFZLAGVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.246857,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(OC)C(OC)=C(OC)C=C3C[C@H](C)[C@@](C)(O)C2","spectrum_id":"CCMSLIB00000847895","spectrum_index":1614},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180273-02!7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":434.121,"inchikey":"MFQIWHVVFBCURA-LKBAIHPRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.127258,"smiles":"OC[C@H]1O[C@@H](OC2=C3C(=O)CC(OC3=CC(O)=C2)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847896","spectrum_index":1615},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180273-02!7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":434.121,"inchikey":"MFQIWHVVFBCURA-LKBAIHPRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.108154,"smiles":"OC[C@H]1O[C@@H](OC2=C3C(=O)CC(OC3=CC(O)=C2)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847897","spectrum_index":1616},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169163-02!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid","exact_mass":476.095,"inchikey":"GVEZRDBRYNJUDQ-QSUZLTIMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":477.100739,"smiles":"COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C3OC(=CC(=O)C3=C1O)C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000847898","spectrum_index":1617},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180266-02!3,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylic acid","exact_mass":286.048,"inchikey":"XSPSQSXYKJASKD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.052368,"smiles":"CC1=CC2=C(C(O)=C1)C(=O)C3=C(O2)C=C(O)C=C3C(O)=O","spectrum_id":"CCMSLIB00000847899","spectrum_index":1618},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347406-02!5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid","exact_mass":350.209,"inchikey":"XKXZAYIPFRBKHT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.213318,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O","spectrum_id":"CCMSLIB00000847900","spectrum_index":1619},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347406-02!5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid","exact_mass":350.209,"inchikey":"XKXZAYIPFRBKHT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":368.239532,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O","spectrum_id":"CCMSLIB00000847901","spectrum_index":1620},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385108-01!2,3-dimethoxy-5-(6,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-yl)cyclohexa-2,5-diene-1,4-dione","exact_mass":390.131,"inchikey":"TZOHVRDKXUMVIU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.134857,"smiles":"COC1=C(OC)C(OC)=C2OCC(CC2=C1)C3=CC(=O)C(OC)=C(OC)C3=O","spectrum_id":"CCMSLIB00000847902","spectrum_index":1621},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385108-01!2,3-dimethoxy-5-(6,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-yl)cyclohexa-2,5-diene-1,4-dione","exact_mass":390.131,"inchikey":"TZOHVRDKXUMVIU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":408.161285,"smiles":"COC1=C(OC)C(OC)=C2OCC(CC2=C1)C3=CC(=O)C(OC)=C(OC)C3=O","spectrum_id":"CCMSLIB00000847903","spectrum_index":1622},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168963-02!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one","exact_mass":434.085,"inchikey":"PZZRDJXEMZMZFD-IEGSVRCHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.087708,"smiles":"O[C@H]1CO[C@@H](OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3)C4=CC(O)=C(O)C=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847904","spectrum_index":1623},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381059-01!5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid","exact_mass":576.387,"inchikey":"RZQNQMRSGMXXMH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.388611,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(O)=O","spectrum_id":"CCMSLIB00000847905","spectrum_index":1624},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381059-01!5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid","exact_mass":576.387,"inchikey":"RZQNQMRSGMXXMH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.378845,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(O)=O","spectrum_id":"CCMSLIB00000847906","spectrum_index":1625},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381059-01!5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid","exact_mass":576.387,"inchikey":"RZQNQMRSGMXXMH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":594.414856,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(O)=O","spectrum_id":"CCMSLIB00000847907","spectrum_index":1626},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347392-02!(2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,6aR,6bS,8aS,12aS,14bR)-4-carboxy-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","exact_mass":1088.5,"inchikey":"RPWKGRUCXRZSSG-HGHIBLDCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1089.499756,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@@](C)(C7CC[C@@]6(C)[C@]5(C)CC4)C(O)=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00000847908","spectrum_index":1627},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347392-02!(2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,6aR,6bS,8aS,12aS,14bR)-4-carboxy-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","exact_mass":1088.5,"inchikey":"RPWKGRUCXRZSSG-HGHIBLDCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1106.526367,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@@](C)(C7CC[C@@]6(C)[C@]5(C)CC4)C(O)=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00000847909","spectrum_index":1628},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381269-01!2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-2-enal","exact_mass":258.089,"inchikey":"PBAZKMWQUBDDLZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.093018,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C(C=O)=C(C)C","spectrum_id":"CCMSLIB00000847910","spectrum_index":1629},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381269-01!2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-2-enal","exact_mass":258.089,"inchikey":"PBAZKMWQUBDDLZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.120972,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C(C=O)=C(C)C","spectrum_id":"CCMSLIB00000847911","spectrum_index":1630},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381270-01!(5E)-4,7,8-trihydroxy-2-(2-hydroxypentyl)-9,9-dimethyl-3,4,7,8-tetrahydro-2H-oxecin-10-one","exact_mass":316.189,"inchikey":"SGGHIPLOACRCAZ-VOTSOKGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.193604,"smiles":"CCCC(O)CC1CC(O)\\C=C\\C(O)C(O)C(C)(C)C(=O)O1","spectrum_id":"CCMSLIB00000847912","spectrum_index":1631},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381273-01!3-hydroxy-7-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one","exact_mass":356.126,"inchikey":"JVJTUAXBSFDCFS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.130737,"smiles":"CC(C)(O)C1OC2=C(C=C3C(=O)CC(OC3=C2)C4=CC=C(O)C=C4)C1O","spectrum_id":"CCMSLIB00000847913","spectrum_index":1632},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180160-02!2-(3,4-dimethoxyphenoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol","exact_mass":448.158,"inchikey":"BUKNGVJDVSRYIT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":466.187927,"smiles":"COC1=C(OC)C=C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C=C1","spectrum_id":"CCMSLIB00000847914","spectrum_index":1633},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347791-02!2-[5-[[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-3-(4-hydroxy-2-methoxy-6-methylbenzoyl)oxyoxolan-2-yl]methoxycarbonyl]-2-hydroxyphenoxy]prop-2-enoic acid","exact_mass":656.149,"inchikey":"QPTBIDGWTVNLQQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":657.149475,"smiles":"COC1=CC(O)=CC(C)=C1C(=O)OC2C(COC(=O)C3=CC=C(O)C(OC(=C)C(O)=O)=C3)OC(C2OC(C)=O)N4C=CC(=O)NC4=O","spectrum_id":"CCMSLIB00000847915","spectrum_index":1634},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347791-02!2-[5-[[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-3-(4-hydroxy-2-methoxy-6-methylbenzoyl)oxyoxolan-2-yl]methoxycarbonyl]-2-hydroxyphenoxy]prop-2-enoic acid","exact_mass":656.149,"inchikey":"QPTBIDGWTVNLQQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":674.176086,"smiles":"COC1=CC(O)=CC(C)=C1C(=O)OC2C(COC(=O)C3=CC=C(O)C(OC(=C)C(O)=O)=C3)OC(C2OC(C)=O)N4C=CC(=O)NC4=O","spectrum_id":"CCMSLIB00000847916","spectrum_index":1635},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169899-02!5-hydroxy-7-(4-hydroxyphenyl)-2-methyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]pyrano[3,2-g]chromen-6-one","exact_mass":660.205,"inchikey":"QXRUNNQSVHTDBO-VLHCGLNOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":661.205688,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCC3(C)OC4=C(C=C3)C(O)=C5C(=O)C(=COC5=C4)C6=CC=C(O)C=C6)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847917","spectrum_index":1636},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384935-01!2,2-dimethyl-1,3-dihydroquinazolin-4-one","exact_mass":176.095,"inchikey":"BXJMRXBQNLKDCI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":177.10112,"smiles":"CC1(C)NC(=O)C2=CC=CC=C2N1","spectrum_id":"CCMSLIB00000847918","spectrum_index":1637},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178573-02!2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one","exact_mass":292.131,"inchikey":"HEURTYMJWQPWNN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.136902,"smiles":"COC1=CC(=O)OC(CCC2=CC(OC)=C(OC)C=C2)C1","spectrum_id":"CCMSLIB00000847919","spectrum_index":1638},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178573-02!2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one","exact_mass":292.131,"inchikey":"HEURTYMJWQPWNN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.163391,"smiles":"COC1=CC(=O)OC(CCC2=CC(OC)=C(OC)C=C2)C1","spectrum_id":"CCMSLIB00000847920","spectrum_index":1639},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384947-01!2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid","exact_mass":348.085,"inchikey":"SOXXAFVUSIMAGB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.089996,"smiles":"COC(=O)C1=C(OC2=CC(C)=CC(O)=C2C(O)=O)C(O)=CC(OC)=C1","spectrum_id":"CCMSLIB00000847921","spectrum_index":1640},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384947-01!2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid","exact_mass":348.085,"inchikey":"SOXXAFVUSIMAGB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.11673,"smiles":"COC(=O)C1=C(OC2=CC(C)=CC(O)=C2C(O)=O)C(O)=CC(OC)=C1","spectrum_id":"CCMSLIB00000847922","spectrum_index":1641},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384930-01!4-(4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoic acid","exact_mass":402.168,"inchikey":"MUQKNNNEHVXLOL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.173035,"smiles":"COC1=C(C)C(OC(=O)C2=C(OC)C(C)=C(O)C(C)=C2C)=C(C)C(C)=C1C(O)=O","spectrum_id":"CCMSLIB00000847923","spectrum_index":1642},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384930-01!4-(4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoic acid","exact_mass":402.168,"inchikey":"MUQKNNNEHVXLOL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":420.199402,"smiles":"COC1=C(C)C(OC(=O)C2=C(OC)C(C)=C(O)C(C)=C2C)=C(C)C(C)=C1C(O)=O","spectrum_id":"CCMSLIB00000847924","spectrum_index":1643},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169594-02!8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":558.116,"inchikey":"BTRRHXATSDHYNW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.119385,"smiles":"OC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C(C4C(OC5=C(C4=O)C(O)=CC(O)=C5)C6=CC(O)=C(O)C=C6)=C(O)C=C3O","spectrum_id":"CCMSLIB00000847925","spectrum_index":1644},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384958-01!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxolan-2-yl]oxychromen-4-one","exact_mass":566.127,"inchikey":"ZUPASDOWHXCIHQ-BNUMRELZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":567.130615,"smiles":"OC[C@@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C=C4)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]1O","spectrum_id":"CCMSLIB00000847926","spectrum_index":1645},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384958-01!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxolan-2-yl]oxychromen-4-one","exact_mass":566.127,"inchikey":"ZUPASDOWHXCIHQ-BNUMRELZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":589.110413,"smiles":"OC[C@@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C=C4)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]1O","spectrum_id":"CCMSLIB00000847927","spectrum_index":1646},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380595-01!(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde","exact_mass":236.068,"inchikey":"QVMUHZHZYCDMAI-RYUDHWBXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.074692,"smiles":"CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1","spectrum_id":"CCMSLIB00000847928","spectrum_index":1647},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347750-02!(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid","exact_mass":431.288,"inchikey":"OOEOVXMORBPOKC-LNBSYBDWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.294373,"smiles":"CCCCCCC(O)CCCCCC\\C=C\\[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@H](N)C(O)=O","spectrum_id":"CCMSLIB00000847929","spectrum_index":1648},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347750-02!(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid","exact_mass":431.288,"inchikey":"OOEOVXMORBPOKC-LNBSYBDWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":414.283508,"smiles":"CCCCCCC(O)CCCCCC\\C=C\\[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@H](N)C(O)=O","spectrum_id":"CCMSLIB00000847930","spectrum_index":1649},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347750-02!(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid","exact_mass":431.288,"inchikey":"OOEOVXMORBPOKC-LNBSYBDWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":454.277191,"smiles":"CCCCCCC(O)CCCCCC\\C=C\\[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@H](N)C(O)=O","spectrum_id":"CCMSLIB00000847931","spectrum_index":1650},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380462-01!5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":518.127,"inchikey":"YRVGYJMSCQFOCA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.132202,"smiles":"OCC1OC(OC2=C3OC(=O)C=CC3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000847932","spectrum_index":1651},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380462-01!5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":518.127,"inchikey":"YRVGYJMSCQFOCA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.158875,"smiles":"OCC1OC(OC2=C3OC(=O)C=CC3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000847933","spectrum_index":1652},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380594-01!(2S)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-acetamido-6-[(3S)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","exact_mass":763.399,"inchikey":"ADACAMXIRQREOB-ZODIVDNVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":764.402649,"smiles":"CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(O)=O)C(O)=O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)NC(C)=O)OC(=O)C[C@H](CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000847934","spectrum_index":1653},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380463-01!(3S,4R)-7-hydroxy-3-[(3S,4R)-7-hydroxy-4-(4-hydroxyphenyl)-2-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydrochromen-3-yl]-4-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydrochromen-2-one","exact_mass":866.227,"inchikey":"AYJLVEAOIKOWIP-DUKVQSBLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":884.25647,"smiles":"OC[C@H]1O[C@@H](OC2=C3[C@H]([C@@H]([C@@H]4[C@H](C5=CC=C(O)C=C5)C6=C(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C=C(O)C=C6OC4=O)C(=O)OC3=CC(O)=C2)C8=CC=C(O)C=C8)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847935","spectrum_index":1654},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380592-01!(26E,30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,26,30,34-tetraene-6,10,14,18,22-pentol","exact_mass":882.68,"inchikey":"KBDCOGFOUWVOPM-NNCLPGHOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":883.682983,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC\\C(C)=C\\CC\\C(C)=C\\CC\\C(C)=C\\CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847936","spectrum_index":1655},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380592-01!(26E,30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,26,30,34-tetraene-6,10,14,18,22-pentol","exact_mass":882.68,"inchikey":"KBDCOGFOUWVOPM-NNCLPGHOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":905.664124,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC\\C(C)=C\\CC\\C(C)=C\\CC\\C(C)=C\\CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847937","spectrum_index":1656},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347748-02!(30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol","exact_mass":916.685,"inchikey":"MONOOAYGIBRELN-REQVTYDXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":917.687439,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC\\C(C)=C\\CC\\C(C)=C\\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847938","spectrum_index":1657},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347748-02!(30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol","exact_mass":916.685,"inchikey":"MONOOAYGIBRELN-REQVTYDXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":899.677185,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC\\C(C)=C\\CC\\C(C)=C\\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847939","spectrum_index":1658},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347748-02!(30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol","exact_mass":916.685,"inchikey":"MONOOAYGIBRELN-REQVTYDXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":934.714844,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC\\C(C)=C\\CC\\C(C)=C\\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847940","spectrum_index":1659},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380411-01!7-(2-aminophenyl)heptanoic acid","exact_mass":221.142,"inchikey":"ZFXXVVRQQNCNDM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":222.149704,"smiles":"NC1=CC=CC=C1CCCCCCC(O)=O","spectrum_id":"CCMSLIB00000847941","spectrum_index":1660},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380411-01!7-(2-aminophenyl)heptanoic acid","exact_mass":221.142,"inchikey":"ZFXXVVRQQNCNDM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.175995,"smiles":"NC1=CC=CC=C1CCCCCCC(O)=O","spectrum_id":"CCMSLIB00000847942","spectrum_index":1661},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380408-01!(5E,7E)-3-acetamidoundeca-5,7-dienoic acid","exact_mass":239.152,"inchikey":"BSATYPPYQRYOBE-BSWSSELBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":240.160522,"smiles":"CCC\\C=C\\C=C\\CC(CC(O)=O)NC(C)=O","spectrum_id":"CCMSLIB00000847943","spectrum_index":1662},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380412-01!4,6-dihydroxy-3-(1-hydroxyethyl)-5-methoxy-3H-2-benzofuran-1-one","exact_mass":240.063,"inchikey":"BYTQIIPUIDTMNL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":241.071823,"smiles":"COC1=C(O)C=C2C(=O)OC(C(C)O)C2=C1O","spectrum_id":"CCMSLIB00000847945","spectrum_index":1663},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380407-01!3,7,8-trihydroxy-3-methyl-1,4-dihydropyrano[4,3-b]chromen-10-one","exact_mass":264.063,"inchikey":"LJBQMFMENPSWTI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.071503,"smiles":"CC1(O)CC2=C(CO1)C(=O)C3=CC(O)=C(O)C=C3O2","spectrum_id":"CCMSLIB00000847946","spectrum_index":1664},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380407-01!3,7,8-trihydroxy-3-methyl-1,4-dihydropyrano[4,3-b]chromen-10-one","exact_mass":264.063,"inchikey":"LJBQMFMENPSWTI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.060944,"smiles":"CC1(O)CC2=C(CO1)C(=O)C3=CC(O)=C(O)C=C3O2","spectrum_id":"CCMSLIB00000847947","spectrum_index":1665},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180516-03!2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol","exact_mass":360.157,"inchikey":"DGYASNDHNSXGSL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.165924,"smiles":"COC1=C(O)C=CC(=C1)C2OC(C3=CC(OC)=C(O)C=C3)C(C)(O)C2C","spectrum_id":"CCMSLIB00000847948","spectrum_index":1666},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180516-03!2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol","exact_mass":360.157,"inchikey":"DGYASNDHNSXGSL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.155548,"smiles":"COC1=C(O)C=CC(=C1)C2OC(C3=CC(OC)=C(O)C=C3)C(C)(O)C2C","spectrum_id":"CCMSLIB00000847949","spectrum_index":1667},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180516-03!2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol","exact_mass":360.157,"inchikey":"DGYASNDHNSXGSL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.192657,"smiles":"COC1=C(O)C=CC(=C1)C2OC(C3=CC(OC)=C(O)C=C3)C(C)(O)C2C","spectrum_id":"CCMSLIB00000847950","spectrum_index":1668},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380495-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one","exact_mass":800.238,"inchikey":"SEYOLRVULPTURM-IQXADPPTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":801.249207,"smiles":"COC1=C(O)C=CC(=C1)C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C(=O)C6=C(O)C(OC)=C(O)C=C6O2","spectrum_id":"CCMSLIB00000847954","spectrum_index":1669},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380496-01!7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":902.269,"inchikey":"UKLPMOHKLUPGON-JEXZMAAQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":903.284546,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)=CC(O)=C4C3=O)C7=CC=C(O)C=C7)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847955","spectrum_index":1670},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169337-02!7-hydroxy-8-(3-methylbut-2-enyl)chromen-2-one","exact_mass":230.094,"inchikey":"RAKJVIPCCGXHHS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.102036,"smiles":"CC(C)=CCC1=C2OC(=O)C=CC2=CC=C1O","spectrum_id":"CCMSLIB00000847956","spectrum_index":1671},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180712-02!(3R,5R)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxycyclohexane-1-carboxylic acid","exact_mass":354.095,"inchikey":"GWTUHAXUUFROTF-AVXJPILUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.1026,"smiles":"O[C@@H]1C[C@](C[C@@H](O)[C@H]1O)(OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)C(O)=O","spectrum_id":"CCMSLIB00000847957","spectrum_index":1672},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384809-01!5-[5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid","exact_mass":354.241,"inchikey":"VOCJFEUCJDTXSA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.248077,"smiles":"CC1CCC2(CO)C(CCC=C2C(O)=O)C1(C)CCC(CO)CCO","spectrum_id":"CCMSLIB00000847958","spectrum_index":1673},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384809-01!5-[5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid","exact_mass":354.241,"inchikey":"VOCJFEUCJDTXSA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":372.274261,"smiles":"CC1CCC2(CO)C(CCC=C2C(O)=O)C1(C)CCC(CO)CCO","spectrum_id":"CCMSLIB00000847959","spectrum_index":1674},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384768-01![(9R,10R)-8,8-dimethyl-9-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate","exact_mass":430.199,"inchikey":"LJYPJWICCCIAKW-DHIUTWEWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":448.232574,"smiles":"CC(C)CC(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00000847960","spectrum_index":1675},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384787-01!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one","exact_mass":450.116,"inchikey":"FNJRUYGFVNGXTL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.123322,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C=C3OC(CC(=O)C3=C2O)C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00000847961","spectrum_index":1676},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384810-01!","exact_mass":562.351,"inchikey":"JGUYJMIAKPTIAH-CPYUNXKESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.356934,"smiles":"CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3(O)C4C=C(C)C(=O)[C@@]4(O)[C@H](O)[C@@]5(CO)O[C@H]5[C@H]3[C@@H]1C2(C)C","spectrum_id":"CCMSLIB00000847962","spectrum_index":1677},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384810-01!","exact_mass":562.351,"inchikey":"JGUYJMIAKPTIAH-CPYUNXKESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.34729,"smiles":"CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3(O)C4C=C(C)C(=O)[C@@]4(O)[C@H](O)[C@@]5(CO)O[C@H]5[C@H]3[C@@H]1C2(C)C","spectrum_id":"CCMSLIB00000847963","spectrum_index":1678},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384810-01!","exact_mass":562.351,"inchikey":"JGUYJMIAKPTIAH-CPYUNXKESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":585.339661,"smiles":"CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3(O)C4C=C(C)C(=O)[C@@]4(O)[C@H](O)[C@@]5(CO)O[C@H]5[C@H]3[C@@H]1C2(C)C","spectrum_id":"CCMSLIB00000847964","spectrum_index":1679},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169526-02!8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":578.164,"inchikey":"LYGPBZVKGHHTIE-HUBYJIGHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.170471,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2C3=C4OC(=CC(=O)C4=C(O)C=C3O)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000847965","spectrum_index":1680},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384780-01![(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,2,3a,10,11-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] acetate","exact_mass":650.257,"inchikey":"OFUTZNNUWRTXHO-RQGSMOOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":651.281189,"smiles":"C[C@@H]1\\C=C\\C(C)(C)C(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C1=O)OC(C)=O","spectrum_id":"CCMSLIB00000847966","spectrum_index":1681},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384780-01![(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,2,3a,10,11-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] acetate","exact_mass":650.257,"inchikey":"OFUTZNNUWRTXHO-RQGSMOOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":668.290649,"smiles":"C[C@@H]1\\C=C\\C(C)(C)C(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C1=O)OC(C)=O","spectrum_id":"CCMSLIB00000847967","spectrum_index":1682},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381402-01!5-acetyl-2,6-dimethyl-2,3-dihydro-1H-pyridin-4-one","exact_mass":167.095,"inchikey":"ZVVZLQBYQRVNQJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":168.101196,"smiles":"CC1CC(=O)C(C(C)=O)=C(C)N1","spectrum_id":"CCMSLIB00000847968","spectrum_index":1683},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381405-01!7-hydroxy-3,5-dimethylisochromen-1-one","exact_mass":190.063,"inchikey":"LAPUFWKKGOUUAN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":191.069626,"smiles":"CC1=CC2=C(C)C=C(O)C=C2C(=O)O1","spectrum_id":"CCMSLIB00000847969","spectrum_index":1684},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385064-01!5-hydroxy-7,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":300.1,"inchikey":"VPGMCCIECGDASG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.106812,"smiles":"COC1=CC(O)=C2C(=O)CC(OC2=C1OC)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000847970","spectrum_index":1685},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381406-01!2-heptyl-3,6-dihydroxy-5-(3-methylbut-2-enyl)benzaldehyde","exact_mass":304.204,"inchikey":"RGRXZGKXEJHPQQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.210114,"smiles":"CCCCCCCC1=C(O)C=C(CC=C(C)C)C(O)=C1C=O","spectrum_id":"CCMSLIB00000847971","spectrum_index":1686},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347700-02!2-[4-[(3S,3aR,6S,6aR)-6-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":682.247,"inchikey":"ZJSJQWDXAYNLNS-XJUVHSKASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":683.250916,"smiles":"COC1=CC(=CC=C1OC2OC(CO)C(O)C(O)C2O)[C@H]3OC[C@H]4[C@@H]3CO[C@@H]4C5=CC=C(OC6OC(CO)C(O)C(O)C6O)C(OC)=C5","spectrum_id":"CCMSLIB00000847972","spectrum_index":1687},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347700-02!2-[4-[(3S,3aR,6S,6aR)-6-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":682.247,"inchikey":"ZJSJQWDXAYNLNS-XJUVHSKASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":700.27655,"smiles":"COC1=CC(=CC=C1OC2OC(CO)C(O)C(O)C2O)[C@H]3OC[C@H]4[C@@H]3CO[C@@H]4C5=CC=C(OC6OC(CO)C(O)C(O)C6O)C(OC)=C5","spectrum_id":"CCMSLIB00000847973","spectrum_index":1688},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385052-01![(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":756.19,"inchikey":"SOPVQGCZAWJHCX-AQGNREDRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.191284,"smiles":"OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)\\C=C\\C5=CC=C(O)C=C5)=C(OC3=C2)C6=CC=C(O)C=C6)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000847974","spectrum_index":1689},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169232-02!(3R)-5,6,8-trihydroxy-3-methyl-3,4-dihydroisochromen-1-one","exact_mass":210.053,"inchikey":"WWWGLKAMMZTBJU-SCSAIBSYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":211.060913,"smiles":"C[C@@H]1CC2=C(C(=O)O1)C(O)=CC(O)=C2O","spectrum_id":"CCMSLIB00000847975","spectrum_index":1690},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169972-02!3,6-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","exact_mass":352.095,"inchikey":"LQIPGPPZCXJWKY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.103363,"smiles":"COC1=C2C(=O)C3=C(O)C=C4CC(C)(O)CC(=O)C4=C3C(=O)C2=CC=C1","spectrum_id":"CCMSLIB00000847976","spectrum_index":1691},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169972-02!3,6-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","exact_mass":352.095,"inchikey":"LQIPGPPZCXJWKY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.092285,"smiles":"COC1=C2C(=O)C3=C(O)C=C4CC(C)(O)CC(=O)C4=C3C(=O)C2=CC=C1","spectrum_id":"CCMSLIB00000847977","spectrum_index":1692},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180558-02!","exact_mass":362.209,"inchikey":"SNDKOELNUHQSEY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.218506,"smiles":"CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)CCC(=O)C4(C)C3C2","spectrum_id":"CCMSLIB00000847978","spectrum_index":1693},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180558-02!","exact_mass":362.209,"inchikey":"SNDKOELNUHQSEY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.200195,"smiles":"CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)CCC(=O)C4(C)C3C2","spectrum_id":"CCMSLIB00000847979","spectrum_index":1694},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180558-02!","exact_mass":362.209,"inchikey":"SNDKOELNUHQSEY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.245361,"smiles":"CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)CCC(=O)C4(C)C3C2","spectrum_id":"CCMSLIB00000847980","spectrum_index":1695},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386079-01!","exact_mass":426.131,"inchikey":"ICLRNDIRYAEKCT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.140472,"smiles":"COC1=C2C(OC3OC=CC23O)=CC4=C1C(=O)C5=C(O)C=CC(CCC(C)(C)O)=C5O4","spectrum_id":"CCMSLIB00000847981","spectrum_index":1696},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386062-01!(3S,6R,12S)-6-benzyl-3-butan-2-yl-9-(6,7-dihydroxyoctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone","exact_mass":572.357,"inchikey":"DXSMIOSVACQXTE-BDADPDBISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":573.366272,"smiles":"CCC(C)[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C(CCCCCC(O)C(C)O)NC(=O)[C@@H]3CCCCN3C1=O","spectrum_id":"CCMSLIB00000847982","spectrum_index":1697},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386062-01!(3S,6R,12S)-6-benzyl-3-butan-2-yl-9-(6,7-dihydroxyoctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone","exact_mass":572.357,"inchikey":"DXSMIOSVACQXTE-BDADPDBISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":590.3927,"smiles":"CCC(C)[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C(CCCCCC(O)C(C)O)NC(=O)[C@@H]3CCCCN3C1=O","spectrum_id":"CCMSLIB00000847983","spectrum_index":1698},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381167-01!(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide","exact_mass":193.074,"inchikey":"YYAJJKZSQWOLIP-HWKANZROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":194.080032,"smiles":"COC1=C(O)C=CC(\\C=C\\C(N)=O)=C1","spectrum_id":"CCMSLIB00000847984","spectrum_index":1699},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381167-01!(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide","exact_mass":193.074,"inchikey":"YYAJJKZSQWOLIP-HWKANZROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.061523,"smiles":"COC1=C(O)C=CC(\\C=C\\C(N)=O)=C1","spectrum_id":"CCMSLIB00000847985","spectrum_index":1700},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381172-01!8-hydroxy-7-methoxy-3-methyl-10-oxo-1H-pyrano[4,3-b]chromene-9-carboxylic acid","exact_mass":304.058,"inchikey":"OGCNEBYUWVVLMZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.064117,"smiles":"COC1=C(O)C(C(O)=O)=C2C(=O)C3=C(OC2=C1)C=C(C)OC3","spectrum_id":"CCMSLIB00000847986","spectrum_index":1701},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381169-01!","exact_mass":414.131,"inchikey":"NSNKDXYBGHRIGH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.137085,"smiles":"COC1=CC=C2OC3=C(C(=O)C2=C1OC)C(O)=C4C5CCCC(C)(O5)OC4=C3OC","spectrum_id":"CCMSLIB00000847987","spectrum_index":1702},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381165-01!5,7-dihydroxy-2-phenyl-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","exact_mass":578.164,"inchikey":"SLVXPCHHHTVCHF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.166443,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C4OC(=CC(=O)C4=C2O)C5=CC=CC=C5","spectrum_id":"CCMSLIB00000847988","spectrum_index":1703},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381165-01!5,7-dihydroxy-2-phenyl-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","exact_mass":578.164,"inchikey":"SLVXPCHHHTVCHF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":601.14978,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C4OC(=CC(=O)C4=C2O)C5=CC=CC=C5","spectrum_id":"CCMSLIB00000847989","spectrum_index":1704},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381224-01!4-[2-[[4-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3,7-dihydroxy-6-methylheptanoic acid","exact_mass":659.411,"inchikey":"SNPUUTQIPHTWGL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":660.41333,"smiles":"CC(C)CC(NC(=O)C(NC(=O)C(NC(C)=O)C(C)C)C(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)CO)C(O)CC(O)=O","spectrum_id":"CCMSLIB00000847990","spectrum_index":1705},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381224-01!4-[2-[[4-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3,7-dihydroxy-6-methylheptanoic acid","exact_mass":659.411,"inchikey":"SNPUUTQIPHTWGL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":677.440247,"smiles":"CC(C)CC(NC(=O)C(NC(=O)C(NC(C)=O)C(C)C)C(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)CO)C(O)CC(O)=O","spectrum_id":"CCMSLIB00000847991","spectrum_index":1706},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381224-01!4-[2-[[4-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3,7-dihydroxy-6-methylheptanoic acid","exact_mass":659.411,"inchikey":"SNPUUTQIPHTWGL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":682.394836,"smiles":"CC(C)CC(NC(=O)C(NC(=O)C(NC(C)=O)C(C)C)C(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)CO)C(O)CC(O)=O","spectrum_id":"CCMSLIB00000847992","spectrum_index":1707},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168998-02!3-[6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one","exact_mass":754.232,"inchikey":"MQMTVWHXCSRCER-OHWKTECQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":755.233765,"smiles":"COC1=CC2=C(C(=O)C(OC3OC(CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)C(O)C(O)C3O)=C(O2)C6=CC=C(O)C=C6)C(O)=C1","spectrum_id":"CCMSLIB00000847993","spectrum_index":1708},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381171-01![1-[[1-[1-[[1-(2,3-dihydroxypropoxy)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl] 2-[2-[2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoate","exact_mass":832.468,"inchikey":"OBKFQZNNFBXVJH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":833.46936,"smiles":"CC(C)C(O)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C(C)C)C(=O)NC(C(C)C)C(=O)OCC(O)CO","spectrum_id":"CCMSLIB00000847994","spectrum_index":1709},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381171-01![1-[[1-[1-[[1-(2,3-dihydroxypropoxy)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl] 2-[2-[2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoate","exact_mass":832.468,"inchikey":"OBKFQZNNFBXVJH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":850.495911,"smiles":"CC(C)C(O)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C(C)C)C(=O)NC(C(C)C)C(=O)OCC(O)CO","spectrum_id":"CCMSLIB00000847995","spectrum_index":1710},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381171-01![1-[[1-[1-[[1-(2,3-dihydroxypropoxy)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl] 2-[2-[2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoate","exact_mass":832.468,"inchikey":"OBKFQZNNFBXVJH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":855.449463,"smiles":"CC(C)C(O)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C(C)C)C(=O)NC(C(C)C)C(=O)OCC(O)CO","spectrum_id":"CCMSLIB00000847996","spectrum_index":1711},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180837-02!3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","exact_mass":322.084,"inchikey":"UGEKKXLEYACFTD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.094025,"smiles":"CC1(O)CC(=O)C2=C3C(=O)C4=C(C(O)=CC=C4)C(=O)C3=CC=C2C1","spectrum_id":"CCMSLIB00000847997","spectrum_index":1712},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384540-01!(E)-1-(2,4-dihydroxyphenyl)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one","exact_mass":324.136,"inchikey":"VVSZRCIUFBADJQ-BJMVGYQFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.145874,"smiles":"CC(C)=CCOC1=CC=C(\\C=C\\C(=O)C2=C(O)C=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00000847998","spectrum_index":1713},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384544-01!2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-(2-phenylethyl)benzoic acid","exact_mass":340.167,"inchikey":"CTNFTPUIYFUXBE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.17746,"smiles":"COC1=CC(CCC2=CC=CC=C2)=C(C(O)=O)C(O)=C1CC=C(C)C","spectrum_id":"CCMSLIB00000847999","spectrum_index":1714},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384647-01!5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one","exact_mass":360.085,"inchikey":"TUGWPJJTQNLKCL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.094574,"smiles":"COC1=CC(=CC(O)=C1OC)C2=COC3=CC(O)=C(OC)C(O)=C3C2=O","spectrum_id":"CCMSLIB00000848000","spectrum_index":1715},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Ferrichrysin [NCGC00168874-03!N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide]","exact_mass":687.319,"inchikey":"ZFDAUYPBCXMSBF-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":688.329163,"smiles":"CC(=O)N(O)CCCC1NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CCCN(O)C(C)=O)NC1=O","spectrum_id":"CCMSLIB00000848001","spectrum_index":1716},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168874-03!N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide","exact_mass":687.319,"inchikey":"ZFDAUYPBCXMSBF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":710.311951,"smiles":"CC(=O)N(O)CCCC1NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CCCN(O)C(C)=O)NC1=O","spectrum_id":"CCMSLIB00000848002","spectrum_index":1717},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384545-01![(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4-oxochromen-7-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate","exact_mass":696.19,"inchikey":"JGGRFKDDIGORCC-LHYXFQTCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":697.200867,"smiles":"COC1=C(O)C=CC(=C1)C2=C(O)C(=O)C3=C(O)C=C(O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C(OC)=C3O2","spectrum_id":"CCMSLIB00000848003","spectrum_index":1718},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180532-02!(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid","exact_mass":216.136,"inchikey":"HTCUURQJNZBKIA-XFWSIPNHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":217.143799,"smiles":"CC[C@H](O)C[C@@H]1CC[C@@H](O1)[C@@H](C)C(O)=O","spectrum_id":"CCMSLIB00000848004","spectrum_index":1719},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180532-02!(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid","exact_mass":216.136,"inchikey":"HTCUURQJNZBKIA-XFWSIPNHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":234.170395,"smiles":"CC[C@H](O)C[C@@H]1CC[C@@H](O1)[C@@H](C)C(O)=O","spectrum_id":"CCMSLIB00000848005","spectrum_index":1720},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380308-01!methyl 2-ethyl-4-[(3R,4R,5S)-5-hydroxy-4,5-dimethyl-2-oxooxolan-3-yl]-2-methyl-3-oxobutanoate","exact_mass":286.142,"inchikey":"VOYCJQSSBDMXNQ-YZGKFDMESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.1492,"smiles":"CCC(C)(C(=O)C[C@@H]1[C@@H](C)[C@@](C)(O)OC1=O)C(=O)OC","spectrum_id":"CCMSLIB00000848006","spectrum_index":1721},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380308-01!methyl 2-ethyl-4-[(3R,4R,5S)-5-hydroxy-4,5-dimethyl-2-oxooxolan-3-yl]-2-methyl-3-oxobutanoate","exact_mass":286.142,"inchikey":"VOYCJQSSBDMXNQ-YZGKFDMESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":304.176178,"smiles":"CCC(C)(C(=O)C[C@@H]1[C@@H](C)[C@@](C)(O)OC1=O)C(=O)OC","spectrum_id":"CCMSLIB00000848007","spectrum_index":1722},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384612-01!1,3-dihydroxy-6-(hydroxymethyl)-8-methoxyanthracene-9,10-dione","exact_mass":300.063,"inchikey":"XNMZBRJAWRIJII-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.071747,"smiles":"COC1=CC(CO)=CC2=C1C(=O)C3=C(O)C=C(O)C=C3C2=O","spectrum_id":"CCMSLIB00000848008","spectrum_index":1723},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180137-02!(3S)-8-hydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione","exact_mass":306.089,"inchikey":"ZAWXOCUFQSQDJS-VIFPVBQESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.097076,"smiles":"C[C@@H]1CC(=O)C2=C3C(=O)C4=C(C(O)=CC=C4)C(=O)C3=CC=C2C1","spectrum_id":"CCMSLIB00000848009","spectrum_index":1724},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180411-02!2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid","exact_mass":348.085,"inchikey":"XOKVHFNTYHPEHN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.092438,"smiles":"COC(=O)C1=C(OC2=C(C(O)=O)C(O)=CC(C)=C2)C(OC)=CC(O)=C1","spectrum_id":"CCMSLIB00000848010","spectrum_index":1725},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180411-02!2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid","exact_mass":348.085,"inchikey":"XOKVHFNTYHPEHN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.118317,"smiles":"COC(=O)C1=C(OC2=C(C(O)=O)C(O)=CC(C)=C2)C(OC)=CC(O)=C1","spectrum_id":"CCMSLIB00000848011","spectrum_index":1726},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384628-01![7-methyl-6,8-dioxo-3-[(E)-prop-1-enyl]isochromen-7-yl] 4-hydroxy-2-methoxy-6-methylbenzoate","exact_mass":396.121,"inchikey":"VRWFEVIVOZKBJA-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.128632,"smiles":"COC1=C(C(=O)OC2(C)C(=O)C=C3C=C(OC=C3C2=O)\\C=C\\C)C(C)=CC(O)=C1","spectrum_id":"CCMSLIB00000848012","spectrum_index":1727},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384628-01![7-methyl-6,8-dioxo-3-[(E)-prop-1-enyl]isochromen-7-yl] 4-hydroxy-2-methoxy-6-methylbenzoate","exact_mass":396.121,"inchikey":"VRWFEVIVOZKBJA-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.110016,"smiles":"COC1=C(C(=O)OC2(C)C(=O)C=C3C=C(OC=C3C2=O)\\C=C\\C)C(C)=CC(O)=C1","spectrum_id":"CCMSLIB00000848013","spectrum_index":1728},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179860-02!6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid","exact_mass":590.382,"inchikey":"BBMULGJBVDDDNI-OWKLGTHSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":591.389282,"smiles":"CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC3=C(C(O)=O)C(O)=C(C)C=C3","spectrum_id":"CCMSLIB00000848014","spectrum_index":1729},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179860-02!6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid","exact_mass":590.382,"inchikey":"BBMULGJBVDDDNI-OWKLGTHSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":573.378296,"smiles":"CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC3=C(C(O)=O)C(O)=C(C)C=C3","spectrum_id":"CCMSLIB00000848015","spectrum_index":1730},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179860-02!6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid","exact_mass":590.382,"inchikey":"BBMULGJBVDDDNI-OWKLGTHSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":608.41571,"smiles":"CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC3=C(C(O)=O)C(O)=C(C)C=C3","spectrum_id":"CCMSLIB00000848016","spectrum_index":1731},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179860-02!6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid","exact_mass":590.382,"inchikey":"BBMULGJBVDDDNI-OWKLGTHSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":613.371033,"smiles":"CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC3=C(C(O)=O)C(O)=C(C)C=C3","spectrum_id":"CCMSLIB00000848017","spectrum_index":1732},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180715-02!(2R)-2-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1-benzofuran-5,7-diol","exact_mass":218.094,"inchikey":"WTFIFQXTQCYJKU-JWVODRKRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":219.101501,"smiles":"C\\C=C\\C=C\\[C@H]1CC2=C(O1)C(O)=CC(O)=C2","spectrum_id":"CCMSLIB00000848018","spectrum_index":1733},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380743-01!4-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-3-hydroxy-2-methyl-2H-furan-5-one","exact_mass":292.095,"inchikey":"YLIUZRWENFNXMA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.101898,"smiles":"CC1OC(=O)C(CC2=C(O)C(=CC(C)=C2O)C(C)=O)=C1O","spectrum_id":"CCMSLIB00000848019","spectrum_index":1734},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168917-02!5-[(3S,3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole","exact_mass":400.152,"inchikey":"ONDWGDNAFRAXCN-VUEDXXQZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.159332,"smiles":"COC1=CC(=CC(OC)=C1OC)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3C4=CC5=C(OCO5)C=C4","spectrum_id":"CCMSLIB00000848020","spectrum_index":1735},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180623-02!(4-hydroxyphenyl)-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methanone","exact_mass":408.106,"inchikey":"BZYKNVLTMWYEFA-ZJKJAXBQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.112213,"smiles":"OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C(C(=O)C3=CC=C(O)C=C3)=C(O)C=C2O","spectrum_id":"CCMSLIB00000848021","spectrum_index":1736},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347795-02!4-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,6-dihydroxybenzoyl]-3-formyl-5-hydroxybenzoic acid","exact_mass":438.168,"inchikey":"MLSVKXQHUTYXHD-VIZOYTHASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.174255,"smiles":"CC(C)=CCC\\C(C)=C\\CC1=CC=C(O)C(C(=O)C2=C(O)C=C(C=C2C=O)C(O)=O)=C1O","spectrum_id":"CCMSLIB00000848022","spectrum_index":1737},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380738-01!3,5-dihydroxy-4-[3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid","exact_mass":498.174,"inchikey":"PEERGVFNQUXNQA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":516.205139,"smiles":"CC(C)(O)C1CCC(=CC1)C(=O)OCC2OC(OC3=C(O)C=C(C=C3O)C(O)=O)C(O)C(O)C2O","spectrum_id":"CCMSLIB00000848023","spectrum_index":1738},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380843-01!5,7-dihydroxy-2-(4-methoxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2,3-dihydrochromen-4-one","exact_mass":558.153,"inchikey":"BKPFUQLDJWNCIK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.158081,"smiles":"COC1=CC=C(C=C1)C2OC3=CC(O)=CC(O)=C3C(=O)C2C4=C(O)C=C5OC(C(O)CC5=C4O)C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00000848024","spectrum_index":1739},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347560-02![3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3-acetamido-6-[[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","exact_mass":1085.58,"inchikey":"NFMZRMNYRASNPY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1086.581299,"smiles":"CC(=O)NC1C(O)C(O)C(COC2OCC(O)C(O)C2OC3OCC(O)C(O)C3O)OC1OC4CCC5(C)C(CCC6(C)C5CC=C7C8CC(C)(C)CCC8(CCC67C)C(=O)OC9OC(CO)C(O)C(O)C9O)C4(C)C","spectrum_id":"CCMSLIB00000848025","spectrum_index":1740},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381033-01!6-[(E)-3,4-dihydroxypent-1-enyl]pyran-2-one","exact_mass":196.074,"inchikey":"HAMNKHJHOZJTEE-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":214.105728,"smiles":"CC(O)C(O)\\C=C\\C1=CC=CC(=O)O1","spectrum_id":"CCMSLIB00000848026","spectrum_index":1741},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380967-01!","exact_mass":354.11,"inchikey":"ZUEKQPJBVORAFH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.113556,"smiles":"COC1=C2C(=O)C3=C(OC2=CC=C1)C=C4OC5(C)CCCC(O5)C4=C3O","spectrum_id":"CCMSLIB00000848027","spectrum_index":1742},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381015-01!2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-3,5-dihydroxybenzoic acid","exact_mass":385.996,"inchikey":"WTLZPZUWOZQDLR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.000092,"smiles":"COC1=C(C(=O)C2=C(O)C=C(O)C=C2C(O)=O)C(O)=C(Cl)C(C)=C1Cl","spectrum_id":"CCMSLIB00000848028","spectrum_index":1743},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380970-01!3-hydroxy-2-[[3-(3-hydroxy-6-methylheptanoyl)oxy-8-methylnonanoyl]amino]propanoic acid","exact_mass":417.273,"inchikey":"ZIMOUPHGHTXJRD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.276581,"smiles":"CC(C)CCCCC(CC(=O)NC(CO)C(O)=O)OC(=O)CC(O)CCC(C)C","spectrum_id":"CCMSLIB00000848029","spectrum_index":1744},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380970-01!3-hydroxy-2-[[3-(3-hydroxy-6-methylheptanoyl)oxy-8-methylnonanoyl]amino]propanoic acid","exact_mass":417.273,"inchikey":"ZIMOUPHGHTXJRD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":440.258026,"smiles":"CC(C)CCCCC(CC(=O)NC(CO)C(O)=O)OC(=O)CC(O)CCC(C)C","spectrum_id":"CCMSLIB00000848030","spectrum_index":1745},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381030-01!2-(2-hydroxypropan-2-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one","exact_mass":424.137,"inchikey":"HGHSJJSYVZPIAW-NWMIEQKASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.14035,"smiles":"CC(C)(O)C1OC2=C(C=C3C=CC(=O)OC3=C2)C1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000848031","spectrum_index":1746},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381030-01!2-(2-hydroxypropan-2-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one","exact_mass":424.137,"inchikey":"HGHSJJSYVZPIAW-NWMIEQKASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":442.165619,"smiles":"CC(C)(O)C1OC2=C(C=C3C=CC(=O)OC3=C2)C1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000848032","spectrum_index":1747},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381021-01!8-(2,4-dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentylisochromen-1-one","exact_mass":426.204,"inchikey":"NXAFAINHPNBMLG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.207916,"smiles":"CCCCCC1=CC2=CC(O)=CC(OC3=C(O)C=C(O)C=C3CCCCC)=C2C(=O)O1","spectrum_id":"CCMSLIB00000848033","spectrum_index":1748},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381021-01!8-(2,4-dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentylisochromen-1-one","exact_mass":426.204,"inchikey":"NXAFAINHPNBMLG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.189819,"smiles":"CCCCCC1=CC2=CC(O)=CC(OC3=C(O)C=C(O)C=C3CCCCC)=C2C(=O)O1","spectrum_id":"CCMSLIB00000848034","spectrum_index":1749},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169618-03!6-[(6,8-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydroisochromen-4-yl)oxy]-4,8-dihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one","exact_mass":462.116,"inchikey":"WLSOGIGMSWCVID-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.119659,"smiles":"COC1=C(O)C2=C(C=C1O)C(OC3=C(OC)C(O)=C4C(=O)OC(C)C(O)C4=C3)C(C)OC2=O","spectrum_id":"CCMSLIB00000848035","spectrum_index":1750},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169618-03!6-[(6,8-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydroisochromen-4-yl)oxy]-4,8-dihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one","exact_mass":462.116,"inchikey":"WLSOGIGMSWCVID-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.109619,"smiles":"COC1=C(O)C2=C(C=C1O)C(OC3=C(OC)C(O)=C4C(=O)OC(C)C(O)C4=C3)C(C)OC2=O","spectrum_id":"CCMSLIB00000848036","spectrum_index":1751},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168976-02!5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one","exact_mass":258.089,"inchikey":"JSJIIHRNDMLJGK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.096802,"smiles":"COC1=C2C=CC(=O)OC2=CC3=C1C=CC(C)(C)O3","spectrum_id":"CCMSLIB00000848039","spectrum_index":1752},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380638-01!","exact_mass":372.04,"inchikey":"POXKBPUNCDMQMW-YLVJLNSGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.047607,"smiles":"COC1=C2[C@H]3C=CO[C@H]3OC2=CC4=C1C(=O)C5=C(OC)C(Cl)=CC=C5O4","spectrum_id":"CCMSLIB00000848040","spectrum_index":1753},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380640-01!5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde","exact_mass":390.196,"inchikey":"MHWOMRMBQGSTFS-JTCWOHKRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.203461,"smiles":"CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC1=C(O)C(C=O)=C(C)C(Cl)=C1O","spectrum_id":"CCMSLIB00000848041","spectrum_index":1754},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180497-02!","exact_mass":428.329,"inchikey":"VXOZCESVZIRHCJ-LNSUSAKYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.32605,"smiles":"CC(C)[C@@H](C)\\C=C\\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC3[C@@]4(C)CC[C@H](O)C[C@@]45OO[C@@]23C=C5","spectrum_id":"CCMSLIB00000848042","spectrum_index":1755},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380911-01!2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-8-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":494.106,"inchikey":"XTWQFJODFQFTIT-UAEGTEGVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":495.113007,"smiles":"COC1=C2OC(=C(O)C(=O)C2=C(O)C=C1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00000848043","spectrum_index":1756},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179942-02![4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 3,4,5-trihydroxybenzoate","exact_mass":560.117,"inchikey":"JLKWLPLEMBUFOD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.12384,"smiles":"OCC1OC(C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O)C3=C(O)C(C(=O)C4=CC=C(O)C=C4)=C(O)C=C3O","spectrum_id":"CCMSLIB00000848044","spectrum_index":1757},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179942-02![4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 3,4,5-trihydroxybenzoate","exact_mass":560.117,"inchikey":"JLKWLPLEMBUFOD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":583.106873,"smiles":"OCC1OC(C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O)C3=C(O)C(C(=O)C4=CC=C(O)C=C4)=C(O)C=C3O","spectrum_id":"CCMSLIB00000848045","spectrum_index":1758},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380641-01!5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentanoic acid","exact_mass":575.317,"inchikey":"ZMCWALAQRPULMT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":576.32312,"smiles":"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCC(O)=O","spectrum_id":"CCMSLIB00000848046","spectrum_index":1759},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380641-01!5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentanoic acid","exact_mass":575.317,"inchikey":"ZMCWALAQRPULMT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":598.304077,"smiles":"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCC(O)=O","spectrum_id":"CCMSLIB00000848047","spectrum_index":1760},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347539-02![2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(3-methylbutanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate","exact_mass":720.393,"inchikey":"LOTLMZWGLBOKFL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":721.398621,"smiles":"CCCCCCCCCC(=O)OC1C(OC2(CO)OC(CO)C(O)C2OC(=O)CC(C)C)OC(CO)C(OC(=O)C(C)C)C1OC(=O)C(C)C","spectrum_id":"CCMSLIB00000848048","spectrum_index":1761},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347539-02![2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(3-methylbutanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate","exact_mass":720.393,"inchikey":"LOTLMZWGLBOKFL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":738.426331,"smiles":"CCCCCCCCCC(=O)OC1C(OC2(CO)OC(CO)C(O)C2OC(=O)CC(C)C)OC(CO)C(OC(=O)C(C)C)C1OC(=O)C(C)C","spectrum_id":"CCMSLIB00000848049","spectrum_index":1762},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384712-01!9-[(E)-3-hydroxy-3-methylbut-1-enyl]furo[3,2-g]chromen-7-one","exact_mass":270.089,"inchikey":"YCWBXVBPBPUAQF-FNORWQNLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.086258,"smiles":"CC(C)(O)\\C=C\\C1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00000848050","spectrum_index":1763},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384712-01!9-[(E)-3-hydroxy-3-methylbut-1-enyl]furo[3,2-g]chromen-7-one","exact_mass":270.089,"inchikey":"YCWBXVBPBPUAQF-FNORWQNLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.124176,"smiles":"CC(C)(O)\\C=C\\C1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00000848051","spectrum_index":1764},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384717-01!4-(7-hydroxy-6-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diol","exact_mass":314.152,"inchikey":"GSOJAKKBDGPDIS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":332.18631,"smiles":"COC1=C(O)C=C2C(C(C)C(C)CC2=C1)C3=CC=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000848052","spectrum_index":1765},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384717-01!4-(7-hydroxy-6-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diol","exact_mass":314.152,"inchikey":"GSOJAKKBDGPDIS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.124695,"smiles":"COC1=C(O)C=C2C(C(C)C(C)CC2=C1)C3=CC=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000848053","spectrum_index":1766},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347609-02!9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one","exact_mass":318.11,"inchikey":"CRAONLIHLOSKGE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.118744,"smiles":"COC1=C2C=COC2=C(CC(O)C(C)(C)O)C3=C1C=CC(=O)O3","spectrum_id":"CCMSLIB00000848054","spectrum_index":1767},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347609-02!9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one","exact_mass":318.11,"inchikey":"CRAONLIHLOSKGE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.108093,"smiles":"COC1=C2C=COC2=C(CC(O)C(C)(C)O)C3=C1C=CC(=O)O3","spectrum_id":"CCMSLIB00000848055","spectrum_index":1768},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347609-02!9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one","exact_mass":318.11,"inchikey":"CRAONLIHLOSKGE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":336.145447,"smiles":"COC1=C2C=COC2=C(CC(O)C(C)(C)O)C3=C1C=CC(=O)O3","spectrum_id":"CCMSLIB00000848056","spectrum_index":1769},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347609-02!9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one","exact_mass":318.11,"inchikey":"CRAONLIHLOSKGE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.102936,"smiles":"COC1=C2C=COC2=C(CC(O)C(C)(C)O)C3=C1C=CC(=O)O3","spectrum_id":"CCMSLIB00000848057","spectrum_index":1770},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347609-02!9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one","exact_mass":318.11,"inchikey":"CRAONLIHLOSKGE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":360.145233,"smiles":"COC1=C2C=COC2=C(CC(O)C(C)(C)O)C3=C1C=CC(=O)O3","spectrum_id":"CCMSLIB00000848058","spectrum_index":1771},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384731-01!(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid","exact_mass":338.1,"inchikey":"BMRSEYFENKXDIS-OTCYKTEZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.108154,"smiles":"O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\\C=C\\C2=CC=C(O)C=C2)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000848059","spectrum_index":1772},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384731-01!(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid","exact_mass":338.1,"inchikey":"BMRSEYFENKXDIS-OTCYKTEZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":356.135437,"smiles":"O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\\C=C\\C2=CC=C(O)C=C2)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000848060","spectrum_index":1773},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384731-01!(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid","exact_mass":338.1,"inchikey":"BMRSEYFENKXDIS-OTCYKTEZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.093231,"smiles":"O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\\C=C\\C2=CC=C(O)C=C2)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000848061","spectrum_index":1774},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180423-02!5-[4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid","exact_mass":338.246,"inchikey":"RPHNSADJHUEKRG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.243011,"smiles":"CC(CCC1(C)C(C)CCC2(CO)C1CCC=C2CO)CC(O)=O","spectrum_id":"CCMSLIB00000848062","spectrum_index":1775},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180423-02!5-[4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid","exact_mass":338.246,"inchikey":"RPHNSADJHUEKRG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":356.280304,"smiles":"CC(CCC1(C)C(C)CCC2(CO)C1CCC=C2CO)CC(O)=O","spectrum_id":"CCMSLIB00000848063","spectrum_index":1776},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384738-01![2-acetyl-4-(1,2-dihydroxypropyl)phenyl] 1,3-benzodioxole-5-carboxylate","exact_mass":358.105,"inchikey":"BVHCIBPROINFPQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.140228,"smiles":"CC(O)C(O)C1=CC(C(C)=O)=C(OC(=O)C2=CC3=C(OCO3)C=C2)C=C1","spectrum_id":"CCMSLIB00000848065","spectrum_index":1777},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384726-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] acetate","exact_mass":542.164,"inchikey":"VJPARTQOILTISJ-JONDNUHGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.171997,"smiles":"COC1=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)C=C4OC(=O)C=CC4=C1","spectrum_id":"CCMSLIB00000848066","spectrum_index":1778},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384726-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] acetate","exact_mass":542.164,"inchikey":"VJPARTQOILTISJ-JONDNUHGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.154602,"smiles":"COC1=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)C=C4OC(=O)C=CC4=C1","spectrum_id":"CCMSLIB00000848067","spectrum_index":1779},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384708-01![5-hydroxy-2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate","exact_mass":636.336,"inchikey":"HNLDKIWEAVTCKP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":654.370117,"smiles":"CCCCCCCCCC(=O)OC1C(OC2(CO)OC(CO)C(O)C2OC(=O)C(C)C)OC(CO)C(O)C1OC(=O)C(C)C","spectrum_id":"CCMSLIB00000848068","spectrum_index":1780},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384827-01!6-hydroxy-1,5-dimethoxyxanthen-9-one","exact_mass":272.068,"inchikey":"NTMVXGVBFJZCFH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.076416,"smiles":"COC1=C2C(=O)C3=C(OC2=CC=C1)C(OC)=C(O)C=C3","spectrum_id":"CCMSLIB00000848069","spectrum_index":1781},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384803-01!2,4-dihydroxy-3-[(E)-4-hydroxy-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)pent-2-enyl]-6-methylbenzaldehyde","exact_mass":388.225,"inchikey":"BQAWIDAQBDWCGH-AWNIVKPZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.222382,"smiles":"CC1CCC(=O)C(C)C1(C)CC(O)C(\\C)=C\\CC2=C(O)C(C=O)=C(C)C=C2O","spectrum_id":"CCMSLIB00000848070","spectrum_index":1782},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384803-01!2,4-dihydroxy-3-[(E)-4-hydroxy-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)pent-2-enyl]-6-methylbenzaldehyde","exact_mass":388.225,"inchikey":"BQAWIDAQBDWCGH-AWNIVKPZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.260162,"smiles":"CC1CCC(=O)C(C)C1(C)CC(O)C(\\C)=C\\CC2=C(O)C(C=O)=C(C)C=C2O","spectrum_id":"CCMSLIB00000848071","spectrum_index":1783},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384802-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one","exact_mass":418.09,"inchikey":"RNVUDWOQYYWXBJ-BWYUNELBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.09787,"smiles":"O[C@@H]1CO[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC=C(O)C=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848072","spectrum_index":1784},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384833-01!1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one","exact_mass":422.085,"inchikey":"AEDDIBAIWPIIBD-ZJKJAXBQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.092682,"smiles":"OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C3=C(OC4=C(C=C(O)C(O)=C4)C3=O)C=C2O","spectrum_id":"CCMSLIB00000848073","spectrum_index":1785},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384830-01!3-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":570.153,"inchikey":"BTCICADMSGBCKA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":571.160217,"smiles":"COC1=CC=C(C=C1)C2OC3=CC(O)=CC(O)=C3C(=O)C2C4C(OC5=CC(O)=CC(O)=C5C4=O)C6=CC=C(OC)C=C6","spectrum_id":"CCMSLIB00000848074","spectrum_index":1786},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384824-01!methyl 3-hydroxy-2-[[3-hydroxy-2-[[2-[(3-hydroxy-2,4-dimethyltetradecanoyl)amino]-3-methylbutanoyl]amino]butanoyl]amino]propanoate","exact_mass":573.399,"inchikey":"AKMKWHBDPUOPSK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":574.406433,"smiles":"CCCCCCCCCCC(C)C(O)C(C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)OC","spectrum_id":"CCMSLIB00000848076","spectrum_index":1787},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384824-01!methyl 3-hydroxy-2-[[3-hydroxy-2-[[2-[(3-hydroxy-2,4-dimethyltetradecanoyl)amino]-3-methylbutanoyl]amino]butanoyl]amino]propanoate","exact_mass":573.399,"inchikey":"AKMKWHBDPUOPSK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":591.432922,"smiles":"CCCCCCCCCCC(C)C(O)C(C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)OC","spectrum_id":"CCMSLIB00000848077","spectrum_index":1788},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384822-01![(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":636.096,"inchikey":"LLENXGNWVNSBQG-VFTFQOQOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":654.131042,"smiles":"O[C@@H]1[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@H]1O","spectrum_id":"CCMSLIB00000848078","spectrum_index":1789},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169992-03!methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dihydroxybenzoate","exact_mass":318.074,"inchikey":"GIJDACMRFIMBET-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.080963,"smiles":"COC(=O)C1=C(C(=O)C2=C(O)C=C(C)C=C2O)C(O)=CC(O)=C1","spectrum_id":"CCMSLIB00000848079","spectrum_index":1790},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347729-02!methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dimethoxybenzoate","exact_mass":346.105,"inchikey":"YLCJNMGKCHGJRF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.112183,"smiles":"COC(=O)C1=CC(OC)=CC(OC)=C1C(=O)C2=C(O)C=C(C)C=C2O","spectrum_id":"CCMSLIB00000848080","spectrum_index":1791},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180873-02!(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol","exact_mass":372.142,"inchikey":"QJVXKWHHAMZTBY-GCPOEHJPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":390.175171,"smiles":"COC1=CC(\\C=C\\CO)=CC(OC)=C1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000848081","spectrum_index":1792},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347806-02!2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde","exact_mass":372.23,"inchikey":"JSPPDMSCDGJJOM-YDMRWXCBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.236725,"smiles":"C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)CC\\C(C)=C\\CC2=C(O)C=C(C)C(C=O)=C2O","spectrum_id":"CCMSLIB00000848082","spectrum_index":1793},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347806-02!2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde","exact_mass":372.23,"inchikey":"JSPPDMSCDGJJOM-YDMRWXCBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":390.263,"smiles":"C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)CC\\C(C)=C\\CC2=C(O)C=C(C)C(C=O)=C2O","spectrum_id":"CCMSLIB00000848083","spectrum_index":1794},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347423-02!3-[(3S,5S,8R,10S,13R,14S,17R)-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","exact_mass":698.351,"inchikey":"RIPMDUQTRRLJTE-FHSBOVABSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":716.381409,"smiles":"C[C@]12CCC3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)OC5OC(CO)C(O)C(O)C5OC6OC(CO)C(O)C(O)C6O)[C@@]1(O)CC[C@@H]2C7=CC(=O)OC7","spectrum_id":"CCMSLIB00000848084","spectrum_index":1795},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180545-03!","exact_mass":1137.63,"inchikey":"IVOBIIPKUUYUPR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1160.625732,"smiles":"CCC(C)C1NC(=O)C(CCC(O)=O)N(C)C(=O)C(C(C)C)N(C)C(=O)CNC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(OC(=O)C(CCC(O)=O)N(C)C(=O)C(NC(=O)C4CCCCN4C1=O)C(C)C)C(C)CC","spectrum_id":"CCMSLIB00000848085","spectrum_index":1796},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347547-02!methyl 2-(4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl)oxy-4-hydroxy-3,6-dimethylbenzoate","exact_mass":380.147,"inchikey":"GJGRGJCMJUMZKN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.157349,"smiles":"COC(=O)C1=C(C)C=C(O)C(C)=C1OC2C(=O)C(C)=C(O)C(O)C2(C)OC","spectrum_id":"CCMSLIB00000848086","spectrum_index":1797},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347547-02!methyl 2-(4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl)oxy-4-hydroxy-3,6-dimethylbenzoate","exact_mass":380.147,"inchikey":"GJGRGJCMJUMZKN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.139282,"smiles":"COC(=O)C1=C(C)C=C(O)C(C)=C1OC2C(=O)C(C)=C(O)C(O)C2(C)OC","spectrum_id":"CCMSLIB00000848087","spectrum_index":1798},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347839-02!2-[3-[3-hydroxy-4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-5-oxo-2H-furan-2-yl]acetic acid","exact_mass":386.1,"inchikey":"CLNCCYGZTAZYLJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.110626,"smiles":"COC1=CC(C2=CC(=O)OC2CC(O)=O)=C(OC)C(O)=C1C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000848088","spectrum_index":1799},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180407-02!7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","exact_mass":394.126,"inchikey":"HKIKAXXIWJHWLY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.13678,"smiles":"CC(=O)CC1=CC(=O)C2=C(O1)C(C3OC(CO)C(O)C(O)C3O)=C(O)C=C2C","spectrum_id":"CCMSLIB00000848089","spectrum_index":1800},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385825-01!1,5-dihydroxy-3-methoxy-10-methyl-2,4-bis(3-methylbut-2-enyl)acridin-9-one","exact_mass":407.21,"inchikey":"XCHVRLXEQIEULZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":408.220062,"smiles":"COC1=C(CC=C(C)C)C2=C(C(=O)C3=CC=CC(O)=C3N2C)C(O)=C1CC=C(C)C","spectrum_id":"CCMSLIB00000848090","spectrum_index":1801},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381067-01!methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate","exact_mass":420.142,"inchikey":"SADAOVOLILWFIU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.152588,"smiles":"COC(C)CC1=C(OC)C(=O)C(=CO1)C(=O)C2=C(OC)C=C(OC)C=C2C(=O)OC","spectrum_id":"CCMSLIB00000848091","spectrum_index":1802},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381067-01!methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate","exact_mass":420.142,"inchikey":"SADAOVOLILWFIU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.134735,"smiles":"COC(C)CC1=C(OC)C(=O)C(=CO1)C(=O)C2=C(OC)C=C(OC)C=C2C(=O)OC","spectrum_id":"CCMSLIB00000848093","spectrum_index":1803},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381010-01!5-[(3S,8R,10R,13R,14S,17R)-3-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one","exact_mass":854.394,"inchikey":"BPWYDRTYBYRFDY-WRPCLEDJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":855.407715,"smiles":"CC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(CO)OC(O[C@H]4CC[C@]5(C)C6CC[C@]7(C)[C@H](CC[C@]7(O)[C@@H]6CCC5=C4)C8=COC(=O)C=C8)C3O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848094","spectrum_index":1804},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381010-01!5-[(3S,8R,10R,13R,14S,17R)-3-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one","exact_mass":854.394,"inchikey":"BPWYDRTYBYRFDY-WRPCLEDJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":837.395081,"smiles":"CC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(CO)OC(O[C@H]4CC[C@]5(C)C6CC[C@]7(C)[C@H](CC[C@]7(O)[C@@H]6CCC5=C4)C8=COC(=O)C=C8)C3O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848095","spectrum_index":1805},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180648-02!(3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid","exact_mass":266.079,"inchikey":"VVVMDYGNIVXIIG-INEUFUBQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.084595,"smiles":"C[C@H]1OC(=O)C2=C([C@@H]1C)C(C)=C(O)C(C(O)=O)=C2O","spectrum_id":"CCMSLIB00000848096","spectrum_index":1806},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180648-02!(3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid","exact_mass":266.079,"inchikey":"VVVMDYGNIVXIIG-INEUFUBQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.068695,"smiles":"C[C@H]1OC(=O)C2=C([C@@H]1C)C(C)=C(O)C(C(O)=O)=C2O","spectrum_id":"CCMSLIB00000848097","spectrum_index":1807},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169400-02!methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate","exact_mass":352.116,"inchikey":"TWSUSRQZTZUYSD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.120819,"smiles":"COC(CC(OC)C1=C(O)C2=C(C=C(C)OC2=O)C=C1O)C(=O)OC","spectrum_id":"CCMSLIB00000848098","spectrum_index":1808},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169400-02!methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate","exact_mass":352.116,"inchikey":"TWSUSRQZTZUYSD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":370.147308,"smiles":"COC(CC(OC)C1=C(O)C2=C(C=C(C)OC2=O)C=C1O)C(=O)OC","spectrum_id":"CCMSLIB00000848099","spectrum_index":1809},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347555-02!2-(21-amino-3,20-dihydroxydocosan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":535.408,"inchikey":"FZSYYVOKNJZJTF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.412354,"smiles":"CC(N)C(O)CCCCCCCCCCCCCCCCC(O)C(C)OC1OC(CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848102","spectrum_index":1810},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00165733-02!(3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone","exact_mass":623.368,"inchikey":"JWOGUUIOCYMBPV-GMFLJSBRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":641.397217,"smiles":"CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CN(OC)C3=CC=CC=C23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]4CCCCN4C1=O","spectrum_id":"CCMSLIB00000848105","spectrum_index":1811},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380888-01![(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":786.258,"inchikey":"SDRRSTAVRUERNC-JASYHDAHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":787.259766,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC=C(O)C(O)=C3)O[C@H](CO)[C@H]2OC(=O)\\C=C\\C4=CC(O)=C(O)C=C4)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848106","spectrum_index":1812},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380888-01![(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":786.258,"inchikey":"SDRRSTAVRUERNC-JASYHDAHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":804.286194,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC=C(O)C(O)=C3)O[C@H](CO)[C@H]2OC(=O)\\C=C\\C4=CC(O)=C(O)C=C4)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848107","spectrum_index":1813},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380206-01!5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one","exact_mass":352.144,"inchikey":"GJRRBURMULHWIH-ZYUHXDNHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.154755,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2CO1","spectrum_id":"CCMSLIB00000848108","spectrum_index":1814},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385773-01!1,3,8-trihydroxy-4,5-dimethoxyxanthen-9-one","exact_mass":304.058,"inchikey":"MXKGQHAVANZONW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.067963,"smiles":"COC1=C2OC3=C(C(=O)C2=C(O)C=C1)C(O)=CC(O)=C3OC","spectrum_id":"CCMSLIB00000848110","spectrum_index":1815},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385772-01!5,7-dihydroxy-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one","exact_mass":438.204,"inchikey":"UTHDGFYWNZCMEW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.215912,"smiles":"COC1=C(C=C(C(O)=C1)C(C)(C)C=C)C2COC3=CC(O)=C(CC=C(C)C)C(O)=C3C2=O","spectrum_id":"CCMSLIB00000848111","spectrum_index":1816},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385760-01!(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one","exact_mass":502.329,"inchikey":"JQKLZAQSMGFZSI-NRFHFCOISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.340515,"smiles":"CC(=C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000848112","spectrum_index":1817},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385760-01!(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one","exact_mass":502.329,"inchikey":"JQKLZAQSMGFZSI-NRFHFCOISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.329956,"smiles":"CC(=C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000848113","spectrum_index":1818},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381287-01!(2S,3R,4S,5S,6R)-2-[4-[(3R,3aR,6S,6aR)-6-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":682.247,"inchikey":"ZJSJQWDXAYNLNS-QZBZDVDMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":683.259155,"smiles":"COC1=CC(=CC=C1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3OC[C@H]4[C@@H]3CO[C@@H]4C5=CC(OC)=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C=C5","spectrum_id":"CCMSLIB00000848114","spectrum_index":1819},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385765-01![(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":1050.29,"inchikey":"YDPDTPHAIHAETR-RJHHWURMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1051.302002,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC(O)=C(O)C=C5)[C@H](OC(=O)\\C=C\\C6=CC=C(O)C=C6)[C@@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]1O","spectrum_id":"CCMSLIB00000848115","spectrum_index":1820},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385398-01!2-hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid","exact_mass":206.043,"inchikey":"YUTUUOJFXIMELV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":224.074707,"smiles":"COC(=O)CC(O)(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000848116","spectrum_index":1821},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180691-03!4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol","exact_mass":256.11,"inchikey":"VLEUZFDZJKSGMX-ONEGZZNKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":257.115845,"smiles":"COC1=CC(\\C=C\\C2=CC=C(O)C=C2)=CC(OC)=C1","spectrum_id":"CCMSLIB00000848117","spectrum_index":1822},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385397-01!(2S)-2-(2,6-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one","exact_mass":288.063,"inchikey":"TWELZOKMSAJRKP-ZDUSSCGKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.069275,"smiles":"OC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C3=C(O)C=CC=C3O","spectrum_id":"CCMSLIB00000848118","spectrum_index":1823},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347453-02!(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one","exact_mass":296.141,"inchikey":"GIKJADRKBZHVCY-DUXPYHPUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.147278,"smiles":"OC1=CC=C(CC\\C=C\\C(=O)CCC2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00000848119","spectrum_index":1824},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347453-02!(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one","exact_mass":296.141,"inchikey":"GIKJADRKBZHVCY-DUXPYHPUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.174377,"smiles":"OC1=CC=C(CC\\C=C\\C(=O)CCC2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00000848120","spectrum_index":1825},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347656-02!(E)-4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybut-3-enoic acid","exact_mass":306.074,"inchikey":"FHXSKAHQWKCJSP-ONEGZZNKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.079681,"smiles":"COC(\\C=C\\C1=C(O)C=C2C=C(C)OC(=O)C2=C1O)C(O)=O","spectrum_id":"CCMSLIB00000848121","spectrum_index":1826},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381180-01!3-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-5-hydroxydecanoic acid","exact_mass":576.387,"inchikey":"XBEDTLDOFCRJHC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.391235,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CC(O)CCCCC)CC(O)=O","spectrum_id":"CCMSLIB00000848123","spectrum_index":1827},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381180-01!3-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-5-hydroxydecanoic acid","exact_mass":576.387,"inchikey":"XBEDTLDOFCRJHC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.380798,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CC(O)CCCCC)CC(O)=O","spectrum_id":"CCMSLIB00000848124","spectrum_index":1828},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381180-01!3-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-5-hydroxydecanoic acid","exact_mass":576.387,"inchikey":"XBEDTLDOFCRJHC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":594.417603,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CC(O)CCCCC)CC(O)=O","spectrum_id":"CCMSLIB00000848125","spectrum_index":1829},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180501-02!3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":610.153,"inchikey":"LKZDFKLGDGSGEO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.156677,"smiles":"OCC1OC(OC2C(O)C(O)C(CO)OC2OC3=C(OC4=C(C3=O)C(O)=CC(O)=C4)C5=CC=C(O)C=C5)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848126","spectrum_index":1830},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180501-02!3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":610.153,"inchikey":"LKZDFKLGDGSGEO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":633.138367,"smiles":"OCC1OC(OC2C(O)C(O)C(CO)OC2OC3=C(OC4=C(C3=O)C(O)=CC(O)=C4)C5=CC=C(O)C=C5)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848127","spectrum_index":1831},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00090962-07!2-phenylchromen-4-one","exact_mass":222.068,"inchikey":"VHBFFQKBGNRLFZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":223.077332,"smiles":"O=C1C=C(OC2=CC=CC=C12)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000848128","spectrum_index":1832},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168937-02!3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one","exact_mass":258.089,"inchikey":"QWQGMMRHTWIOGH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.098541,"smiles":"OC1=CC(O)=C(C(=O)CCC2=CC=CC=C2)C(O)=C1","spectrum_id":"CCMSLIB00000848129","spectrum_index":1833},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168864-02!(4-formyl-9-methoxy-5-methylbenzo[f][1]benzofuran-3-yl)methyl acetate","exact_mass":312.1,"inchikey":"OMGQCYHSAPWXMS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.109863,"smiles":"COC1=C2C=CC=C(C)C2=C(C=O)C3=C1OC=C3COC(C)=O","spectrum_id":"CCMSLIB00000848130","spectrum_index":1834},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00187465-02!(E)-1-(5,7-dihydroxy-2,2,6-trimethylchromen-8-yl)-3-phenylprop-2-en-1-one","exact_mass":336.136,"inchikey":"ADEFODYSLAAMOM-MDZDMXLPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.146179,"smiles":"CC1=C(O)C(C(=O)\\C=C\\C2=CC=CC=C2)=C3OC(C)(C)C=CC3=C1O","spectrum_id":"CCMSLIB00000848131","spectrum_index":1835},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384676-01!","exact_mass":408.142,"inchikey":"XZIMIWQJQOVUFT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.09671,"smiles":"CCC1OC2(CC(O)=O)CC3=CC4=C(C(O)C(O)C(O)C4=O)C(O)=C3C(O2)C1C","spectrum_id":"CCMSLIB00000848132","spectrum_index":1836},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169680-02!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid","exact_mass":460.101,"inchikey":"QXIPXNZUEQYPLZ-QSUZLTIMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.111633,"smiles":"COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C3OC(=CC(=O)C3=C1O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000848133","spectrum_index":1837},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384671-01!2-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one","exact_mass":550.169,"inchikey":"FTVKHUHJWDMWIR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.179688,"smiles":"OCC1OC(OC2=CC=C(C=C2)C3CC(=O)C4=CC=C(O)C=C4O3)C(OC5OCC(O)(CO)C5O)C(O)C1O","spectrum_id":"CCMSLIB00000848134","spectrum_index":1838},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384671-01!2-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one","exact_mass":550.169,"inchikey":"FTVKHUHJWDMWIR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":568.205017,"smiles":"OCC1OC(OC2=CC=C(C=C2)C3CC(=O)C4=CC=C(O)C=C4O3)C(OC5OCC(O)(CO)C5O)C(O)C1O","spectrum_id":"CCMSLIB00000848135","spectrum_index":1839},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169359-03!5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":580.179,"inchikey":"HXTFHSYLYXVTHC-TUURGLJWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":581.190247,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C(=O)CC(O4)C5=CC=C(O)C=C5)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848136","spectrum_index":1840},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180795-02!(2S,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","exact_mass":306.074,"inchikey":"XMOCLSLCDHWDHP-WFASDCNBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.084686,"smiles":"O[C@H]1CC2=C(O[C@H]1C3=CC(O)=C(O)C(O)=C3)C=C(O)C=C2O","spectrum_id":"CCMSLIB00000848138","spectrum_index":1841},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180733-02!(E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnon-8-en-1-one","exact_mass":343.215,"inchikey":"FAXXHNWVMKTOFF-UXBLZVDNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.226501,"smiles":"O=C(CCCCCC\\C=C\\C1=CC2=C(OCO2)C=C1)N3CCCCC3","spectrum_id":"CCMSLIB00000848139","spectrum_index":1842},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180666-02!(2R,3S,4S,5R,6S)-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol","exact_mass":478.169,"inchikey":"GGIDHIBVLYVTAU-QGPLIYBISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.181793,"smiles":"COC1=CC(O[C@@H]2O[C@H](COC3OCC(O)C(O)C3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000848140","spectrum_index":1843},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180666-02!(2R,3S,4S,5R,6S)-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol","exact_mass":478.169,"inchikey":"GGIDHIBVLYVTAU-QGPLIYBISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":496.208588,"smiles":"COC1=CC(O[C@@H]2O[C@H](COC3OCC(O)C(O)C3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00000848141","spectrum_index":1844},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169547-02!3-[3-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","exact_mass":596.138,"inchikey":"QJWRRPPVKXMSJD-VXJOFSGDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":597.151489,"smiles":"OCC1OC(OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3)C4=CC(O)=C(O)C=C4)C(O[C@H]5OC[C@](O)(CO)[C@H]5O)C(O)C1O","spectrum_id":"CCMSLIB00000848142","spectrum_index":1845},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385510-01![(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate","exact_mass":616.106,"inchikey":"PXGWEUQZDRUMRE-UNZYZCBSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":617.120483,"smiles":"OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C=C4)[C@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848143","spectrum_index":1846},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385187-01!(2S,3S,9R,13R,14S,16R)-2,16-dihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one","exact_mass":664.382,"inchikey":"KISJFUMXCJBLJV-ZZDFEWANSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":665.396362,"smiles":"CC(=C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000848144","spectrum_index":1847},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385187-01!(2S,3S,9R,13R,14S,16R)-2,16-dihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one","exact_mass":664.382,"inchikey":"KISJFUMXCJBLJV-ZZDFEWANSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":682.422241,"smiles":"CC(=C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000848145","spectrum_index":1848},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385352-01!7-methoxy-9,10-dihydrophenanthrene-2,5-diol","exact_mass":242.094,"inchikey":"RDKDIPDDUFMMMT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":243.101593,"smiles":"COC1=CC(O)=C2C(CCC3=CC(O)=CC=C23)=C1","spectrum_id":"CCMSLIB00000848146","spectrum_index":1849},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385352-01!7-methoxy-9,10-dihydrophenanthrene-2,5-diol","exact_mass":242.094,"inchikey":"RDKDIPDDUFMMMT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":260.128174,"smiles":"COC1=CC(O)=C2C(CCC3=CC(O)=CC=C23)=C1","spectrum_id":"CCMSLIB00000848147","spectrum_index":1850},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385354-01!2-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one","exact_mass":270.053,"inchikey":"PVFGJHYLIHMCQD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.06015,"smiles":"OC1=CC=C2C(=O)C=C(OC2=C1)C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000848148","spectrum_index":1851},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180373-02!(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol","exact_mass":270.089,"inchikey":"NSRJSISNDPOJOP-BBRMVZONSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.096558,"smiles":"COC1=CC2=C(C=C1)[C@@H]3COC4=C(C=CC(O)=C4)[C@@H]3O2","spectrum_id":"CCMSLIB00000848149","spectrum_index":1852},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385458-01!(2R)-9-hydroxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one","exact_mass":424.137,"inchikey":"QZUDEXAHKXCIDG-NUUDRHLNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.14328,"smiles":"CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2CC3=C(O2)C(O)=C4OC(=O)C=CC4=C3","spectrum_id":"CCMSLIB00000848150","spectrum_index":1853},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385458-01!(2R)-9-hydroxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one","exact_mass":424.137,"inchikey":"QZUDEXAHKXCIDG-NUUDRHLNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":442.169952,"smiles":"CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2CC3=C(O2)C(O)=C4OC(=O)C=CC4=C3","spectrum_id":"CCMSLIB00000848151","spectrum_index":1854},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385353-01!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid","exact_mass":430.09,"inchikey":"IDRSJGHHZXBATQ-ZFORQUDYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.096924,"smiles":"O[C@H]1[C@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C4=CC=CC=C4)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000848152","spectrum_index":1855},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385447-01!1,8,10-trihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-one","exact_mass":434.121,"inchikey":"WRQPROLXESIJKE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.128601,"smiles":"OCC1OC(C(O)C(O)C1O)C2(O)C3=CC=CC(O)=C3C(=O)C4=C2C=C(CO)C=C4O","spectrum_id":"CCMSLIB00000848153","spectrum_index":1856},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385447-01!1,8,10-trihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-one","exact_mass":434.121,"inchikey":"WRQPROLXESIJKE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.117279,"smiles":"OCC1OC(C(O)C(O)C1O)C2(O)C3=CC=CC(O)=C3C(=O)C4=C2C=C(CO)C=C4O","spectrum_id":"CCMSLIB00000848154","spectrum_index":1857},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385459-01!(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid","exact_mass":478.075,"inchikey":"UFDJVOQZZQZYJG-IIDMSEBBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.081146,"smiles":"O[C@@H]1C=C(C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]1OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=O","spectrum_id":"CCMSLIB00000848155","spectrum_index":1858},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385459-01!(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid","exact_mass":478.075,"inchikey":"UFDJVOQZZQZYJG-IIDMSEBBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":496.108429,"smiles":"O[C@@H]1C=C(C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]1OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=O","spectrum_id":"CCMSLIB00000848156","spectrum_index":1859},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168986-02!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxychromen-4-one","exact_mass":346.069,"inchikey":"KIGVXRGRNLQNNI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.077789,"smiles":"COC1=C(O)C2=C(OC(C3=CC(O)=C(O)C=C3)=C(OC)C2=O)C=C1O","spectrum_id":"CCMSLIB00000848157","spectrum_index":1860},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385827-01!7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one","exact_mass":382.214,"inchikey":"FCWYNTDTQPCVPG-UQWVPHONSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.223236,"smiles":"CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H](COC3=CC=C4C=CC(=O)OC4=C3)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00000848158","spectrum_index":1861},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385827-01!7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one","exact_mass":382.214,"inchikey":"FCWYNTDTQPCVPG-UQWVPHONSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.249237,"smiles":"CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H](COC3=CC=C4C=CC(=O)OC4=C3)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00000848159","spectrum_index":1862},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00164319-09![(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate","exact_mass":458.085,"inchikey":"WMBWREPUVVBILR-WIYYLYMNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":459.094299,"smiles":"OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C4=CC(O)=C(O)C(O)=C4","spectrum_id":"CCMSLIB00000848160","spectrum_index":1863},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385832-01!5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","exact_mass":594.158,"inchikey":"ISNRVVKKHPECQN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.16803,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C4OC=C(C(=O)C4=C2O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000848161","spectrum_index":1864},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385821-01!(3R,5R)-4-(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid","exact_mass":660.169,"inchikey":"OOGPWQHGQYUIAW-KDGFOEJISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":661.177673,"smiles":"CC(O)(CC(O)=O)CC(=O)O[C@@H]1[C@@H](C[C@](O)(C[C@H]1OC(=O)\\C=C\\C2=CC=C(O)C(O)=C2)C(O)=O)OC(=O)\\C=C\\C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000848162","spectrum_index":1865},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169863-02!(10E,12E)-9-hydroxyoctadeca-10,12-dienoic acid","exact_mass":296.235,"inchikey":"NPDSHTNEKLQQIJ-SIGMCMEVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.229889,"smiles":"CCCCC\\C=C\\C=C\\C(O)CCCCCCCC(O)=O","spectrum_id":"CCMSLIB00000848163","spectrum_index":1866},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168941-08!(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid","exact_mass":354.095,"inchikey":"CWVRJTMFETXNAD-JUHZACGLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.100006,"smiles":"O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000848164","spectrum_index":1867},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168941-08!(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid","exact_mass":354.095,"inchikey":"CWVRJTMFETXNAD-JUHZACGLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":372.125977,"smiles":"O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000848165","spectrum_index":1868},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381244-01!4,7-dimethoxy-3,5-dimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":412.137,"inchikey":"BYESRGNJMSYROW-DNYZQHFQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.141266,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3=C(C(C)=C1)C(OC)=C(C)C(=O)O3","spectrum_id":"CCMSLIB00000848166","spectrum_index":1869},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381240-01!1,3,4-trihydroxy-5-[(E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl]oxycyclohexane-1-carboxylic acid","exact_mass":546.174,"inchikey":"GQMNGGACVSAOEC-ZZXKWVIFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":547.176941,"smiles":"COC1=CC(\\C=C\\C(=O)OC2CC(O)(CC(O)C2O)C(O)=O)=CC3=C1OC(C3CO)C4=CC=C(O)C(OC)=C4","spectrum_id":"CCMSLIB00000848167","spectrum_index":1870},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385124-01!1-(3,4-dimethoxyphenyl)-2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol","exact_mass":732.351,"inchikey":"ZGXXNVOBEIRACL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":750.37738,"smiles":"COC1=CC(=CC=C1OC(C)C(O)C2=CC(OC)=C(OC)C=C2)C3OC(C(C)C3C)C4=CC(OC)=C(OC(C)C(O)C5=CC(OC)=C(OC)C=C5)C=C4","spectrum_id":"CCMSLIB00000848168","spectrum_index":1871},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381241-01![2-[6-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,6-dihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenyl]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":844.279,"inchikey":"XREZOMRRMAKCRX-RIYZIHGNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":845.276916,"smiles":"CC1OC(OC2C(C)OC(C(O)C2O)C3=C(O)C=C(OC4OC(CO)C(O)C4O)C(C(=O)CCC5=CC=C(O)C=C5)=C3O)C(O)C(OC(=O)\\C=C\\C6=CC=C(O)C=C6)C1O","spectrum_id":"CCMSLIB00000848169","spectrum_index":1872},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381241-01![2-[6-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,6-dihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenyl]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":844.279,"inchikey":"XREZOMRRMAKCRX-RIYZIHGNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":862.303711,"smiles":"CC1OC(OC2C(C)OC(C(O)C2O)C3=C(O)C=C(OC4OC(CO)C(O)C4O)C(C(=O)CCC5=CC=C(O)C=C5)=C3O)C(O)C(OC(=O)\\C=C\\C6=CC=C(O)C=C6)C1O","spectrum_id":"CCMSLIB00000848170","spectrum_index":1873},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381399-01!4-hydroxy-3,5,6-trimethylpyran-2-one","exact_mass":154.063,"inchikey":"ZCLDVNJXGNOJKY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":155.069351,"smiles":"CC1=C(C)C(O)=C(C)C(=O)O1","spectrum_id":"CCMSLIB00000848171","spectrum_index":1874},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381397-01!(E)-4-hydroxynon-2-enoic acid","exact_mass":172.11,"inchikey":"RLNIWODKAMVILO-VOTSOKGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":195.100876,"smiles":"CCCCCC(O)\\C=C\\C(O)=O","spectrum_id":"CCMSLIB00000848172","spectrum_index":1875},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169706-02!6-ethyl-2,4-dihydroxy-3-methylbenzaldehyde","exact_mass":180.079,"inchikey":"IZEZSOSPEGKVRG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":181.085327,"smiles":"CCC1=C(C=O)C(O)=C(C)C(O)=C1","spectrum_id":"CCMSLIB00000848173","spectrum_index":1876},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385060-01!5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one","exact_mass":300.063,"inchikey":"OBBCRPUNCUPUOS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.069763,"smiles":"COC1=C(O)C=C2OC=C(C(=O)C2=C1O)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000848175","spectrum_index":1877},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00187466-03!(E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-phenylprop-2-en-1-one","exact_mass":306.126,"inchikey":"UEXPKLJRGIWQBF-CSKARUKUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.132355,"smiles":"CC1(C)OC2=CC=C(C(=O)\\C=C\\C3=CC=CC=C3)C(O)=C2C=C1","spectrum_id":"CCMSLIB00000848176","spectrum_index":1878},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169586-02!7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":360.142,"inchikey":"DSXFHNSGLYXPNG-WUBGXZNDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.174469,"smiles":"CC1CCC2C1C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(O)=O","spectrum_id":"CCMSLIB00000848177","spectrum_index":1879},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00332267-02!N-(2-phenylethyl)acetamide","exact_mass":163.1,"inchikey":"MODKMHXGCGKTLE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":164.105606,"smiles":"CC(=O)NCCC1=CC=CC=C1","spectrum_id":"CCMSLIB00000848178","spectrum_index":1880},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169834-02!2-(6-hydroxyhexyl)-3-methylidenebutanedioic acid","exact_mass":230.115,"inchikey":"DHVXMTMJTVCPBB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.121048,"smiles":"OCCCCCCC(C(O)=O)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000848179","spectrum_index":1881},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169834-02!2-(6-hydroxyhexyl)-3-methylidenebutanedioic acid","exact_mass":230.115,"inchikey":"DHVXMTMJTVCPBB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":248.147583,"smiles":"OCCCCCCC(C(O)=O)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000848180","spectrum_index":1882},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347387-02!1,3,6-trihydroxy-5-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one","exact_mass":436.101,"inchikey":"MTQVPZUZBBTLNO-HSLVGEKZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.104675,"smiles":"COC1=C(O)C=CC2=C1OC3=CC(O)=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3C2=O","spectrum_id":"CCMSLIB00000848181","spectrum_index":1883},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385367-01!5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":670.175,"inchikey":"ZZNVCZGRNCQHCQ-JZSCMRTJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":671.175232,"smiles":"COC1=C(O)C=CC(=C1)C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C5=C(O)C(OC)=C(O)C=C5O2","spectrum_id":"CCMSLIB00000848182","spectrum_index":1884},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180365-02![6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":756.248,"inchikey":"HZUURLOSYMEMET-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":774.27417,"smiles":"CC1OC(OC2C(OC(=O)\\C=C\\C3=CC(O)=C(O)C=C3)C(CO)OC(OCCC4=CC(O)=C(O)C=C4)C2OC5OCC(O)C(O)C5O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848183","spectrum_index":1885},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385964-01!3-ethyl-6-hydroxy-3H-2-benzofuran-1-one","exact_mass":178.063,"inchikey":"AIHVXKPMAWGFLZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":220.100861,"smiles":"CCC1OC(=O)C2=CC(O)=CC=C12","spectrum_id":"CCMSLIB00000848184","spectrum_index":1886},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169428-03!3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","exact_mass":210.137,"inchikey":"SZJNCZMRZAUNQT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":211.147156,"smiles":"CC(C)CC1NC(=O)C2CCCN2C1=O","spectrum_id":"CCMSLIB00000848185","spectrum_index":1887},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169428-03!3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","exact_mass":210.137,"inchikey":"SZJNCZMRZAUNQT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.120712,"smiles":"CC(C)CC1NC(=O)C2CCCN2C1=O","spectrum_id":"CCMSLIB00000848186","spectrum_index":1888},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385963-01!(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol","exact_mass":292.189,"inchikey":"HEGSGKPQLMEBJL-RKQHYHRCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.226715,"smiles":"CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848190","spectrum_index":1889},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385951-01!1,3,6-trihydroxy-4,5-dimethoxy-10-methylacridin-9-one","exact_mass":317.09,"inchikey":"KUASSSAVQTUJGE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.101349,"smiles":"COC1=C(O)C=CC2=C1N(C)C3=C(OC)C(O)=CC(O)=C3C2=O","spectrum_id":"CCMSLIB00000848191","spectrum_index":1890},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381083-01!3-hydroxy-4-(2,6,7-trihydroxy-6-methylheptan-2-yl)benzoic acid","exact_mass":298.142,"inchikey":"CYAWKJKAMCXLET-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.140808,"smiles":"CC(O)(CO)CCCC(C)(O)C1=CC=C(C=C1O)C(O)=O","spectrum_id":"CCMSLIB00000848192","spectrum_index":1891},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180111-02!1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid","exact_mass":314.043,"inchikey":"UZOHDKGTYVTYDZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.052795,"smiles":"CC1=C(C(O)=O)C(O)=C2C(=O)C3=C(C=C(O)C=C3O)C(=O)C2=C1","spectrum_id":"CCMSLIB00000848193","spectrum_index":1892},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381079-01!3-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one","exact_mass":420.157,"inchikey":"ZSSVYEUXLNVQMH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.167664,"smiles":"CC(C)=CCC1=C2OC(C)(C)C=CC2=C3OC=C(C(=O)C3=C1O)C4=C(O)C=C(O)C=C4","spectrum_id":"CCMSLIB00000848194","spectrum_index":1893},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347669-02!4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid","exact_mass":446.142,"inchikey":"YTEWAPMLXIWBPY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.152924,"smiles":"COC(CC(OC1OC(CO)C(O)C(O)C1O)C2=C(O)C=CC(C(C)=O)=C2O)C(O)=O","spectrum_id":"CCMSLIB00000848195","spectrum_index":1894},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347669-02!4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid","exact_mass":446.142,"inchikey":"YTEWAPMLXIWBPY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.135437,"smiles":"COC(CC(OC1OC(CO)C(O)C(O)C1O)C2=C(O)C=CC(C(C)=O)=C2O)C(O)=O","spectrum_id":"CCMSLIB00000848196","spectrum_index":1895},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381078-01!3-[4-hydroxy-5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(2-oxochromen-7-yl)oxypropanoic acid","exact_mass":534.137,"inchikey":"JTLPHVAPUJVXEJ-AYXSYUOHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.148132,"smiles":"COC1=C(O)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CC(OC3=CC=C4C=CC(=O)OC4=C3)C(O)=O)=C1","spectrum_id":"CCMSLIB00000848197","spectrum_index":1896},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381078-01!3-[4-hydroxy-5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(2-oxochromen-7-yl)oxypropanoic acid","exact_mass":534.137,"inchikey":"JTLPHVAPUJVXEJ-AYXSYUOHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":552.173523,"smiles":"COC1=C(O)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CC(OC3=CC=C4C=CC(=O)OC4=C3)C(O)=O)=C1","spectrum_id":"CCMSLIB00000848198","spectrum_index":1897},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385796-01![(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate","exact_mass":592.309,"inchikey":"ZXONCHMIIHLRHD-INRWEYHGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.320984,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(C)=O","spectrum_id":"CCMSLIB00000848199","spectrum_index":1898},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385796-01![(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate","exact_mass":592.309,"inchikey":"ZXONCHMIIHLRHD-INRWEYHGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":575.310059,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(C)=O","spectrum_id":"CCMSLIB00000848200","spectrum_index":1899},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385796-01![(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate","exact_mass":592.309,"inchikey":"ZXONCHMIIHLRHD-INRWEYHGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":610.348694,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(C)=O","spectrum_id":"CCMSLIB00000848201","spectrum_index":1900},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385796-01![(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate","exact_mass":592.309,"inchikey":"ZXONCHMIIHLRHD-INRWEYHGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":615.303345,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(C)=O","spectrum_id":"CCMSLIB00000848202","spectrum_index":1901},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381081-01![(2S,3R,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate","exact_mass":944.28,"inchikey":"QTJRRBYZPWQMKO-FBTMAVONSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":945.292175,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C6=CC=C(O)C=C6)[C@H](O[C@@H]7O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]7O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848203","spectrum_index":1902},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385018-01!(E)-2,6-dihydroxy-2-(2-hydroxy-4-methylphenyl)-6-methylhept-4-en-3-one","exact_mass":264.136,"inchikey":"QXFMVTGSYGOMCS-BQYQJAHWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.175018,"smiles":"CC1=CC=C(C(O)=C1)C(C)(O)C(=O)\\C=C\\C(C)(C)O","spectrum_id":"CCMSLIB00000848204","spectrum_index":1903},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385047-01![1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate","exact_mass":424.225,"inchikey":"MNGYOFNIAOWXIT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.239685,"smiles":"CC(=O)OC1CCC2(C)C(COC3=CC4=C(C=CC(=O)O4)C=C3)C(=C)CCC2C1(C)C","spectrum_id":"CCMSLIB00000848205","spectrum_index":1904},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385047-01![1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate","exact_mass":424.225,"inchikey":"MNGYOFNIAOWXIT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":466.250702,"smiles":"CC(=O)OC1CCC2(C)C(COC3=CC4=C(C=CC(=O)O4)C=C3)C(=C)CCC2C1(C)C","spectrum_id":"CCMSLIB00000848206","spectrum_index":1905},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179781-03![8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate","exact_mass":430.199,"inchikey":"KPLBOWKEQXYXSD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":448.24057,"smiles":"CC(C)CC(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)CC(C)C","spectrum_id":"CCMSLIB00000848207","spectrum_index":1906},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385003-01!4-[3-methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid","exact_mass":442.293,"inchikey":"DQOOFQPFNNGTHL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.296417,"smiles":"CC(CCOC(=O)CCC(O)=O)CCC1(C)C(C)CCC2(C)C1CC(O)C(O)C2(C)O","spectrum_id":"CCMSLIB00000848208","spectrum_index":1907},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385003-01!4-[3-methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid","exact_mass":442.293,"inchikey":"DQOOFQPFNNGTHL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":460.334137,"smiles":"CC(CCOC(=O)CCC(O)=O)CCC1(C)C(C)CCC2(C)C1CC(O)C(O)C2(C)O","spectrum_id":"CCMSLIB00000848209","spectrum_index":1908},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385003-01!4-[3-methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid","exact_mass":442.293,"inchikey":"DQOOFQPFNNGTHL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.281494,"smiles":"CC(CCOC(=O)CCC(O)=O)CCC1(C)C(C)CCC2(C)C1CC(O)C(O)C2(C)O","spectrum_id":"CCMSLIB00000848210","spectrum_index":1909},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385016-01!8-[5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":540.106,"inchikey":"JVBCTBWKMWXQQO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":541.121765,"smiles":"OC1=CC=C(C=C1)C2=CC(=O)C3=C(O)C=C(O)C(=C3O2)C4=C(O)C=CC(=C4)C5CC(=O)C6=C(O)C=C(O)C=C6O5","spectrum_id":"CCMSLIB00000848211","spectrum_index":1910},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385009-01!(1S,3R,4R,5R)-1,3-dihydroxy-4,5-bis[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy]cyclohexane-1-carboxylic acid","exact_mass":544.158,"inchikey":"WCIDSNIXNCYSPH-AYCJRBPQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.174011,"smiles":"COC1=CC(\\C=C\\C(=O)O[C@@H]2C[C@@](O)(C[C@@H](O)[C@H]2OC(=O)\\C=C\\C3=CC=C(O)C(OC)=C3)C(O)=O)=CC=C1O","spectrum_id":"CCMSLIB00000848212","spectrum_index":1911},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381194-01!3-(1-hydroxyhexyl)-5-(hydroxymethyl)oxolan-2-one","exact_mass":216.136,"inchikey":"PAJLATPQDCJPHT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":217.142426,"smiles":"CCCCCC(O)C1CC(CO)OC1=O","spectrum_id":"CCMSLIB00000848213","spectrum_index":1912},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381194-01!3-(1-hydroxyhexyl)-5-(hydroxymethyl)oxolan-2-one","exact_mass":216.136,"inchikey":"PAJLATPQDCJPHT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":234.169006,"smiles":"CCCCCC(O)C1CC(CO)OC1=O","spectrum_id":"CCMSLIB00000848214","spectrum_index":1913},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381191-01!6-[(1E,3E,5E,7E)-8-[(2R,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]octa-1,3,5,7-tetraenyl]-4-methoxy-5-methylpyran-2-one","exact_mass":388.189,"inchikey":"BXUGQFINZUXAKN-YOBNSDJQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.194,"smiles":"COC1=CC(=O)OC(\\C=C\\C=C\\C=C\\C=C\\[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)=C1C","spectrum_id":"CCMSLIB00000848215","spectrum_index":1914},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180619-02!5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one","exact_mass":432.106,"inchikey":"ICLVCWSZHUZEFT-QNDFHXLGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.110687,"smiles":"OC[C@H]1O[C@@H](OC2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C=C(O)C=C4O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848216","spectrum_index":1915},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381195-01!(2E,6E,12E)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid","exact_mass":525.294,"inchikey":"IZBWUVKNXOGJSA-MNOLRWOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":526.297852,"smiles":"COC(\\C=C\\CC\\C=C\\C(O)=O)C(O)C(C)C(O)C(\\C)=C\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00000848217","spectrum_index":1916},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381195-01!(2E,6E,12E)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid","exact_mass":525.294,"inchikey":"IZBWUVKNXOGJSA-MNOLRWOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":508.287537,"smiles":"COC(\\C=C\\CC\\C=C\\C(O)=O)C(O)C(C)C(O)C(\\C)=C\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00000848218","spectrum_index":1917},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381195-01!(2E,6E,12E)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid","exact_mass":525.294,"inchikey":"IZBWUVKNXOGJSA-MNOLRWOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.323791,"smiles":"COC(\\C=C\\CC\\C=C\\C(O)=O)C(O)C(C)C(O)C(\\C)=C\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00000848219","spectrum_index":1918},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381195-01!(2E,6E,12E)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid","exact_mass":525.294,"inchikey":"IZBWUVKNXOGJSA-MNOLRWOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":548.278137,"smiles":"COC(\\C=C\\CC\\C=C\\C(O)=O)C(O)C(C)C(O)C(\\C)=C\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00000848220","spectrum_index":1919},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180518-02!2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":596.174,"inchikey":"OMQADRGFMLGFJF-GDRLQRQZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":597.177917,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C(=O)CC(O4)C5=CC(O)=C(O)C=C5)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848221","spectrum_index":1920},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180518-02!2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":596.174,"inchikey":"OMQADRGFMLGFJF-GDRLQRQZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.167419,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C(=O)CC(O4)C5=CC(O)=C(O)C=C5)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848222","spectrum_index":1921},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180518-02!2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":596.174,"inchikey":"OMQADRGFMLGFJF-GDRLQRQZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":614.204529,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C(=O)CC(O4)C5=CC(O)=C(O)C=C5)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848223","spectrum_index":1922},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180154-02![6-[[1a-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate","exact_mass":668.232,"inchikey":"RTCISXKUWWQSRF-VMPITWQZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":669.234619,"smiles":"COC1=CC=C(\\C=C\\C(=O)OC2C(C)OC(OC3C4OC4(CO)C5C3C=COC5OC6OC(CO)C(O)C(O)C6O)C(O)C2O)C=C1","spectrum_id":"CCMSLIB00000848224","spectrum_index":1923},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180154-02![6-[[1a-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate","exact_mass":668.232,"inchikey":"RTCISXKUWWQSRF-VMPITWQZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":686.260071,"smiles":"COC1=CC=C(\\C=C\\C(=O)OC2C(C)OC(OC3C4OC4(CO)C5C3C=COC5OC6OC(CO)C(O)C(O)C6O)C(O)C2O)C=C1","spectrum_id":"CCMSLIB00000848225","spectrum_index":1924},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170025-02!N-(1-hydroxy-3-phenylpropan-2-yl)benzamide","exact_mass":255.126,"inchikey":"RFYNAVYPYXLVOM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":256.133484,"smiles":"OCC(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2","spectrum_id":"CCMSLIB00000848226","spectrum_index":1925},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380912-01!1,10-dihydroxy-3-methylbenzo[c][1]benzoxepine-6,11-dione","exact_mass":270.053,"inchikey":"GXBVJTTXZBEHQB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.060394,"smiles":"CC1=CC(O)=C2C(OC(=O)C3=CC=CC(O)=C3C2=O)=C1","spectrum_id":"CCMSLIB00000848227","spectrum_index":1926},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380651-01!5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl]oxy-2,3,8,12b-tetrahydroxy-3-methyl-4a-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","exact_mass":728.162,"inchikey":"GTNPVPDWWGQDMU-QMMNKCGOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":729.16687,"smiles":"CC1(O)CC3(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4S)=CC5=C(C(=O)C6=CC=CC(O)=C6C5=O)C3(O)C(=O)C1O","spectrum_id":"CCMSLIB00000848228","spectrum_index":1927},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380651-01!5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl]oxy-2,3,8,12b-tetrahydroxy-3-methyl-4a-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","exact_mass":728.162,"inchikey":"GTNPVPDWWGQDMU-QMMNKCGOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":711.158569,"smiles":"CC1(O)CC3(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4S)=CC5=C(C(=O)C6=CC=CC(O)=C6C5=O)C3(O)C(=O)C1O","spectrum_id":"CCMSLIB00000848229","spectrum_index":1928},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380651-01!5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl]oxy-2,3,8,12b-tetrahydroxy-3-methyl-4a-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","exact_mass":728.162,"inchikey":"GTNPVPDWWGQDMU-QMMNKCGOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":746.192444,"smiles":"CC1(O)CC3(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4S)=CC5=C(C(=O)C6=CC=CC(O)=C6C5=O)C3(O)C(=O)C1O","spectrum_id":"CCMSLIB00000848230","spectrum_index":1929},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381163-01!4-(2-methyl-6-oxopyran-3-yl)butanoic acid","exact_mass":196.074,"inchikey":"QFJCZUUIDDALPA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":197.079956,"smiles":"CC1=C(CCCC(O)=O)C=CC(=O)O1","spectrum_id":"CCMSLIB00000848231","spectrum_index":1930},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347556-02!(9,9b-dihydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) hexanoate","exact_mass":380.22,"inchikey":"AKSMCYXVBDZJRK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.226166,"smiles":"CCCCCC(=O)OC1C=C2COC(=O)C2(O)C3(C)C(O)CCC(C)(C)C13","spectrum_id":"CCMSLIB00000848232","spectrum_index":1931},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168867-02!5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one","exact_mass":406.178,"inchikey":"UCHYSPNEUSDFQR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.184143,"smiles":"CC(C)=CCC1=C(O)C2=C(OC=C(C2=O)C3=CC=C(O)C=C3)C(CC=C(C)C)=C1O","spectrum_id":"CCMSLIB00000848233","spectrum_index":1932},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180396-02!6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":578.164,"inchikey":"BGPMMCPSTAYIEL-UTKQBPCESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.168274,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2C3=C(O)C4=C(OC(=CC4=O)C5=CC=C(O)C=C5)C=C3O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848234","spectrum_index":1933},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180396-02!6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":578.164,"inchikey":"BGPMMCPSTAYIEL-UTKQBPCESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":601.148193,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2C3=C(O)C4=C(OC(=CC4=O)C5=CC=C(O)C=C5)C=C3O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848235","spectrum_index":1934},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381159-01!2-[[3,21-dihydroxy-20-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosan-2-yl]amino]acetic acid","exact_mass":593.414,"inchikey":"BFJZLVDYMQIIMI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":594.418152,"smiles":"CC(O)C(CCCCCCCCCCCCCCCCC(O)C(C)NCC(O)=O)OC1OC(CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848236","spectrum_index":1935},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381158-01![2-[4-[7-acetyloxy-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butyl]-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate","exact_mass":832.326,"inchikey":"GXUYGLKNAQMTRM-OHAXRXBPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":833.328735,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCCCN3C=C4C(=O)C(C)(OC(C)=O)C(=O)C(Cl)=C4C=C3\\C=C\\C(C)=C\\C(C)CC","spectrum_id":"CCMSLIB00000848237","spectrum_index":1936},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380303-01!(E)-7-methylidene-10-oxo-4-propan-2-ylundec-5-enoic acid","exact_mass":252.173,"inchikey":"BPCRVQOBIAIVSF-SOFGYWHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.181946,"smiles":"CC(C)C(CCC(O)=O)\\C=C\\C(=C)CCC(C)=O","spectrum_id":"CCMSLIB00000848238","spectrum_index":1937},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380303-01!(E)-7-methylidene-10-oxo-4-propan-2-ylundec-5-enoic acid","exact_mass":252.173,"inchikey":"BPCRVQOBIAIVSF-SOFGYWHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":270.208527,"smiles":"CC(C)C(CCC(O)=O)\\C=C\\C(=C)CCC(C)=O","spectrum_id":"CCMSLIB00000848239","spectrum_index":1938},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380303-01!(E)-7-methylidene-10-oxo-4-propan-2-ylundec-5-enoic acid","exact_mass":252.173,"inchikey":"BPCRVQOBIAIVSF-SOFGYWHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.16391,"smiles":"CC(C)C(CCC(O)=O)\\C=C\\C(=C)CCC(C)=O","spectrum_id":"CCMSLIB00000848240","spectrum_index":1939},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169671-02!3-hydroxy-2-octylpentanedioic acid","exact_mass":260.162,"inchikey":"ROYIOVVKJBERGN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":278.198761,"smiles":"CCCCCCCCC(C(O)CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000848241","spectrum_index":1940},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380298-01!1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol","exact_mass":332.162,"inchikey":"FLLRZSQAKUHACV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.172455,"smiles":"CC1=CC(OC2=CC(O)=C(CC(O)C(C)(C)O)C(C)=C2)=CC(O)=C1","spectrum_id":"CCMSLIB00000848242","spectrum_index":1941},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380298-01!1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol","exact_mass":332.162,"inchikey":"FLLRZSQAKUHACV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.199005,"smiles":"CC1=CC(OC2=CC(O)=C(CC(O)C(C)(C)O)C(C)=C2)=CC(O)=C1","spectrum_id":"CCMSLIB00000848243","spectrum_index":1942},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380190-01!3,15,21-tris[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]docosanoic acid","exact_mass":874.477,"inchikey":"ZPUOWQZPFGUNIS-JIKMCCCNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":875.487793,"smiles":"CC(CCCCCC(CCCCCCCCCCCC(CC(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000848244","spectrum_index":1943},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380190-01!3,15,21-tris[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]docosanoic acid","exact_mass":874.477,"inchikey":"ZPUOWQZPFGUNIS-JIKMCCCNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":892.513733,"smiles":"CC(CCCCCC(CCCCCCCCCCCC(CC(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000848245","spectrum_index":1944},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381248-01!4-oxododecanedioic acid","exact_mass":244.131,"inchikey":"HHXMOTDTSDYYEI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.136551,"smiles":"OC(=O)CCCCCCCC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00000848246","spectrum_index":1945},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381248-01!4-oxododecanedioic acid","exact_mass":244.131,"inchikey":"HHXMOTDTSDYYEI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":262.162933,"smiles":"OC(=O)CCCCCCCC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00000848247","spectrum_index":1946},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169426-02!8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one","exact_mass":292.131,"inchikey":"VRCXJKSBSNVDFC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.163086,"smiles":"COC1=C(CC(O)C(C)(C)OC)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000848248","spectrum_index":1947},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179797-03!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":464.095,"inchikey":"OVSQVDMCBVZWGM-QSOFNFLRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.099274,"smiles":"OC[C@H]1O[C@@H](OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3)C4=CC(O)=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848249","spectrum_index":1948},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381247-01!3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid","exact_mass":528.148,"inchikey":"UGWAFWFSLCHCJD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":529.149963,"smiles":"OCC1OC(OC2OC=C(C(CCOC(=O)C3=CC(O)=C(O)C(O)=C3)C2C=C)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848250","spectrum_index":1949},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381247-01!3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid","exact_mass":528.148,"inchikey":"UGWAFWFSLCHCJD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":546.179565,"smiles":"OCC1OC(OC2OC=C(C(CCOC(=O)C3=CC(O)=C(O)C(O)=C3)C2C=C)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848251","spectrum_index":1950},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385120-01!7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one","exact_mass":608.174,"inchikey":"LGOQXEQWOCSLEC-CYZBKYQRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.176819,"smiles":"COC1=C(O)C=CC(=C1)C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C3O2","spectrum_id":"CCMSLIB00000848252","spectrum_index":1951},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169960-03!(2E,4E)-12-[(10E,12E)-13-carboxy-3-hydroxy-2-(hydroxymethyl)-8,10,12-trimethyltrideca-10,12-dienoyl]oxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid","exact_mass":666.398,"inchikey":"DQBXBQIOPVLJEV-SLTMLOGKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":667.400024,"smiles":"CC(CCCCC(O)C(CO)C(=O)OC(CCCCC(C)C\\C(C)=C\\C(C)=C\\C(O)=O)C(CO)C(O)=O)C\\C(C)=C\\C(C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000848253","spectrum_index":1952},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169960-03!(2E,4E)-12-[(10E,12E)-13-carboxy-3-hydroxy-2-(hydroxymethyl)-8,10,12-trimethyltrideca-10,12-dienoyl]oxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid","exact_mass":666.398,"inchikey":"DQBXBQIOPVLJEV-SLTMLOGKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":649.390686,"smiles":"CC(CCCCC(O)C(CO)C(=O)OC(CCCCC(C)C\\C(C)=C\\C(C)=C\\C(O)=O)C(CO)C(O)=O)C\\C(C)=C\\C(C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000848254","spectrum_index":1953},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169960-03!(2E,4E)-12-[(10E,12E)-13-carboxy-3-hydroxy-2-(hydroxymethyl)-8,10,12-trimethyltrideca-10,12-dienoyl]oxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid","exact_mass":666.398,"inchikey":"DQBXBQIOPVLJEV-SLTMLOGKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":684.426697,"smiles":"CC(CCCCC(O)C(CO)C(=O)OC(CCCCC(C)C\\C(C)=C\\C(C)=C\\C(O)=O)C(CO)C(O)=O)C\\C(C)=C\\C(C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000848255","spectrum_index":1954},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015878-06!methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate","exact_mass":354.194,"inchikey":"BLGXFZZNTVWLAY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.203308,"smiles":"COC(=O)C1C(O)CCC2CN3CCC4=C(NC5=C4C=CC=C5)C3CC12","spectrum_id":"CCMSLIB00000848256","spectrum_index":1955},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015878-06!methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate","exact_mass":354.194,"inchikey":"BLGXFZZNTVWLAY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.192535,"smiles":"COC(=O)C1C(O)CCC2CN3CCC4=C(NC5=C4C=CC=C5)C3CC12","spectrum_id":"CCMSLIB00000848257","spectrum_index":1956},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380516-01![12-hydroxy-6-(hydroxymethyl)-10-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienyl] acetate","exact_mass":364.261,"inchikey":"GFDOSVZSTRYXMK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.270294,"smiles":"CC(=O)OCC(CCC=C(C)C)=CCCC(CO)=CCCC(C)=CCO","spectrum_id":"CCMSLIB00000848260","spectrum_index":1957},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380516-01![12-hydroxy-6-(hydroxymethyl)-10-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienyl] acetate","exact_mass":364.261,"inchikey":"GFDOSVZSTRYXMK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.259247,"smiles":"CC(=O)OCC(CCC=C(C)C)=CCCC(CO)=CCCC(C)=CCO","spectrum_id":"CCMSLIB00000848261","spectrum_index":1958},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180826-02!(10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate","exact_mass":386.137,"inchikey":"XGPBRZDOJDLKOT-WDZFZDKYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.144806,"smiles":"C\\C=C(\\C)C(=O)OC1C(OC(C)=O)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00000848262","spectrum_index":1959},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180826-02!(10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate","exact_mass":386.137,"inchikey":"XGPBRZDOJDLKOT-WDZFZDKYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.171875,"smiles":"C\\C=C(\\C)C(=O)OC1C(OC(C)=O)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00000848263","spectrum_index":1960},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380523-01![3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate","exact_mass":416.147,"inchikey":"QUSMURJIBTWAOP-WUXMJOGZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.155853,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC(OC(=O)C(\\C)=C\\C)C(C)(C)O)C3=C1C=CO3","spectrum_id":"CCMSLIB00000848264","spectrum_index":1961},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380523-01![3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate","exact_mass":416.147,"inchikey":"QUSMURJIBTWAOP-WUXMJOGZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.145569,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC(OC(=O)C(\\C)=C\\C)C(C)(C)O)C3=C1C=CO3","spectrum_id":"CCMSLIB00000848265","spectrum_index":1962},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380523-01![3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate","exact_mass":416.147,"inchikey":"QUSMURJIBTWAOP-WUXMJOGZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.182648,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC(OC(=O)C(\\C)=C\\C)C(C)(C)O)C3=C1C=CO3","spectrum_id":"CCMSLIB00000848266","spectrum_index":1963},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380523-01![3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate","exact_mass":416.147,"inchikey":"QUSMURJIBTWAOP-WUXMJOGZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.139404,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC(OC(=O)C(\\C)=C\\C)C(C)(C)O)C3=C1C=CO3","spectrum_id":"CCMSLIB00000848267","spectrum_index":1964},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347686-02!N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-14-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide","exact_mass":717.329,"inchikey":"JXJRJDNSPWNZOK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":718.338684,"smiles":"CC(=O)N(O)CCCC1NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CCCN(O)C(C)=O)NC1=O","spectrum_id":"CCMSLIB00000848268","spectrum_index":1965},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380521-01!5-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid","exact_mass":754.232,"inchikey":"VUXVICJLLYFORC-FQRWNCDPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":755.241943,"smiles":"COC1=C(O)C=CC(=C1)C2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](COC(=O)CC(C)(O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C3O2","spectrum_id":"CCMSLIB00000848269","spectrum_index":1966},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380521-01!5-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid","exact_mass":754.232,"inchikey":"VUXVICJLLYFORC-FQRWNCDPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":772.268921,"smiles":"COC1=C(O)C=CC(=C1)C2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](COC(=O)CC(C)(O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C3O2","spectrum_id":"CCMSLIB00000848270","spectrum_index":1967},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380521-01!5-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid","exact_mass":754.232,"inchikey":"VUXVICJLLYFORC-FQRWNCDPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":796.26886,"smiles":"COC1=C(O)C=CC(=C1)C2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](COC(=O)CC(C)(O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C3O2","spectrum_id":"CCMSLIB00000848271","spectrum_index":1968},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384660-01!8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one","exact_mass":246.089,"inchikey":"YRAQEMCYCSSHJG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.098846,"smiles":"CC(C)(O)C1CC2=C3OC(=O)C=CC3=CC=C2O1","spectrum_id":"CCMSLIB00000848272","spectrum_index":1969},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384529-01!5,7-dihydroxy-2-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","exact_mass":354.095,"inchikey":"UDTUCCXZNVRBEJ-PBVFJORSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.105743,"smiles":"CC1=CC(=O)C2=C(O)C=C(O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2O1","spectrum_id":"CCMSLIB00000848273","spectrum_index":1970},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384669-01![7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate","exact_mass":358.178,"inchikey":"HLPXMGYELYMAQM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.215302,"smiles":"CC(=O)OC(CCCCC1=CC(O)=C(O)C=C1)CCC2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000848274","spectrum_index":1971},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384531-01!3-(2,4-dihydroxyphenyl)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one","exact_mass":408.194,"inchikey":"QUBRRXBPXPHDJO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.204926,"smiles":"CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OCC(C(=O)C2=C1)C3=CC=C(O)C=C3O","spectrum_id":"CCMSLIB00000848275","spectrum_index":1972},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169635-03!3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid","exact_mass":416.007,"inchikey":"MYFFDMMUGIQJQM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.017609,"smiles":"COC(=O)C1=C(OC2=C(C(O)=O)C(O)=C(Cl)C(C)=C2Cl)C(OC)=CC(O)=C1","spectrum_id":"CCMSLIB00000848276","spectrum_index":1973},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169635-03!3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid","exact_mass":416.007,"inchikey":"MYFFDMMUGIQJQM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.04361,"smiles":"COC(=O)C1=C(OC2=C(C(O)=O)C(O)=C(Cl)C(C)=C2Cl)C(OC)=CC(O)=C1","spectrum_id":"CCMSLIB00000848277","spectrum_index":1974},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384665-01!2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one","exact_mass":594.158,"inchikey":"GXLQUHPXGLZNGE-BJBZVNFPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.169067,"smiles":"C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(OC3=C2)C5=CC(O)=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848278","spectrum_index":1975},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347522-02!2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-[1-[4-hydroxy-2-[[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]pentanediamide","exact_mass":1558.88,"inchikey":"OESVNVWXOTVKHT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1559.88269,"smiles":"CC(C)CC(NC(=O)CNC(=O)C(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC1=CC=CC=C1)NC(C)=O)C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N2CC(O)CC2C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)N3CC(O)CC3C(=O)NC(C)(C)C(=O)NC(CO)CC4=CC=CC=C4","spectrum_id":"CCMSLIB00000848279","spectrum_index":1976},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347522-02!2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-[1-[4-hydroxy-2-[[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]pentanediamide","exact_mass":1558.88,"inchikey":"OESVNVWXOTVKHT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1576.907471,"smiles":"CC(C)CC(NC(=O)CNC(=O)C(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC1=CC=CC=C1)NC(C)=O)C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N2CC(O)CC2C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)N3CC(O)CC3C(=O)NC(C)(C)C(=O)NC(CO)CC4=CC=CC=C4","spectrum_id":"CCMSLIB00000848280","spectrum_index":1977},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380132-01!","exact_mass":220.064,"inchikey":"ZERVJPYNQLONEK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":221.072891,"smiles":"O=C1C=CC2=NC=CC3=C2N1C4=C3C=CC=C4","spectrum_id":"CCMSLIB00000848281","spectrum_index":1978},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169368-02!3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan","exact_mass":446.194,"inchikey":"HRLFUIXSXUASEX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.204102,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OCC3C2COC3C4=CC(OC)=C(OC)C(OC)=C4","spectrum_id":"CCMSLIB00000848282","spectrum_index":1979},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169368-02!3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan","exact_mass":446.194,"inchikey":"HRLFUIXSXUASEX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.193939,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OCC3C2COC3C4=CC(OC)=C(OC)C(OC)=C4","spectrum_id":"CCMSLIB00000848283","spectrum_index":1980},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169368-02!3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan","exact_mass":446.194,"inchikey":"HRLFUIXSXUASEX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":464.230896,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OCC3C2COC3C4=CC(OC)=C(OC)C(OC)=C4","spectrum_id":"CCMSLIB00000848284","spectrum_index":1981},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179826-02!2-[3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":504.163,"inchikey":"ZLACPIJRVKLLJM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.162628,"smiles":"COC1=C2OC(=CC2=CC(=C1)C(O)CCOC3OC(CO)C(O)C(O)C3O)C4=CC5=C(OCO5)C=C4","spectrum_id":"CCMSLIB00000848288","spectrum_index":1982},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179826-02!2-[3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":504.163,"inchikey":"ZLACPIJRVKLLJM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.200134,"smiles":"COC1=C2OC(=CC2=CC(=C1)C(O)CCOC3OC(CO)C(O)C(O)C3O)C4=CC5=C(OCO5)C=C4","spectrum_id":"CCMSLIB00000848289","spectrum_index":1983},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380564-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one","exact_mass":610.153,"inchikey":"UKZBYNNIKTZZLT-QJQOJWJKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.164185,"smiles":"COC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)=C(OC2=C1)C5=CC(O)=C(O)C=C5","spectrum_id":"CCMSLIB00000848290","spectrum_index":1984},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380564-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one","exact_mass":610.153,"inchikey":"UKZBYNNIKTZZLT-QJQOJWJKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":633.14386,"smiles":"COC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)=C(OC2=C1)C5=CC(O)=C(O)C=C5","spectrum_id":"CCMSLIB00000848291","spectrum_index":1985},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380537-01!5-[[4,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid","exact_mass":752.216,"inchikey":"VGOJYSUPEJWUNN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":753.226746,"smiles":"COC1=CC(O)=C2C(=O)C(OC3OC(COC(=O)CC(C)(O)CC(O)=O)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)=C(OC2=C1)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000848292","spectrum_index":1986},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380129-01![6-[6-[6-[4,5-dihydroxy-6-[(2E,6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoxy]-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate","exact_mass":864.435,"inchikey":"YGXBITSXQZFVOX-HTGWJEPXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":865.446472,"smiles":"CC1OC(OC\\C(C)=C\\CC\\C(C)=C\\CCC(C)(O)C=C)C(O)C(O)C1OC2OC(C)C(OC3OC(C)C(OC4OC(C)C(OC(C)=O)C(O)C4O)C(O)C3O)C(O)C2O","spectrum_id":"CCMSLIB00000848293","spectrum_index":1987},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380129-01![6-[6-[6-[4,5-dihydroxy-6-[(2E,6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoxy]-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate","exact_mass":864.435,"inchikey":"YGXBITSXQZFVOX-HTGWJEPXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":847.436096,"smiles":"CC1OC(OC\\C(C)=C\\CC\\C(C)=C\\CCC(C)(O)C=C)C(O)C(O)C1OC2OC(C)C(OC3OC(C)C(OC4OC(C)C(OC(C)=O)C(O)C4O)C(O)C3O)C(O)C2O","spectrum_id":"CCMSLIB00000848294","spectrum_index":1988},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380129-01![6-[6-[6-[4,5-dihydroxy-6-[(2E,6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoxy]-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate","exact_mass":864.435,"inchikey":"YGXBITSXQZFVOX-HTGWJEPXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":882.473877,"smiles":"CC1OC(OC\\C(C)=C\\CC\\C(C)=C\\CCC(C)(O)C=C)C(O)C(O)C1OC2OC(C)C(OC3OC(C)C(OC4OC(C)C(OC(C)=O)C(O)C4O)C(O)C3O)C(O)C2O","spectrum_id":"CCMSLIB00000848295","spectrum_index":1989},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169619-02![(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-6-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate","exact_mass":948.493,"inchikey":"YGAXNRUXTMXSJA-LDGQGHTNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":949.504761,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H](C)O[C@@H](O[C@@](C)(CC[C@@]3(C)[C@H](C)C[C@H](O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H]4O)[C@]6(C)[C@@H]3CCC=C6C)C=C)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848296","spectrum_index":1990},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169619-02![(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-6-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate","exact_mass":948.493,"inchikey":"YGAXNRUXTMXSJA-LDGQGHTNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":931.494812,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H](C)O[C@@H](O[C@@](C)(CC[C@@]3(C)[C@H](C)C[C@H](O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H]4O)[C@]6(C)[C@@H]3CCC=C6C)C=C)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848297","spectrum_index":1991},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169619-02![(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-6-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate","exact_mass":948.493,"inchikey":"YGAXNRUXTMXSJA-LDGQGHTNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":966.533264,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H](C)O[C@@H](O[C@@](C)(CC[C@@]3(C)[C@H](C)C[C@H](O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H]4O)[C@]6(C)[C@@H]3CCC=C6C)C=C)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848298","spectrum_index":1992},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385817-01!(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide","exact_mass":223.194,"inchikey":"MAGQQZHFHJDIRE-BNFZFUHLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":224.201508,"smiles":"CCCCC\\C=C\\C=C\\C(=O)NCC(C)C","spectrum_id":"CCMSLIB00000848299","spectrum_index":1993},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016456-13!5,7-dihydroxy-2-phenylchromen-4-one","exact_mass":254.058,"inchikey":"RTIXKCRFFJGDFG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.065582,"smiles":"OC1=CC2=C(C(=O)C=C(O2)C3=CC=CC=C3)C(O)=C1","spectrum_id":"CCMSLIB00000848300","spectrum_index":1994},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017331-10!(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","exact_mass":290.079,"inchikey":"PFTAWBLQPZVEMU-DZGCQCFKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.086975,"smiles":"O[C@H]1CC2=C(O[C@@H]1C3=CC(O)=C(O)C=C3)C=C(O)C=C2O","spectrum_id":"CCMSLIB00000848301","spectrum_index":1995},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385530-01!(E)-5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid","exact_mass":318.219,"inchikey":"SLMFLTPPPXRYHP-JLHYYAGUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.227783,"smiles":"CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\\C(C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000848302","spectrum_index":1996},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385530-01!(E)-5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid","exact_mass":318.219,"inchikey":"SLMFLTPPPXRYHP-JLHYYAGUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":336.255157,"smiles":"CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\\C(C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000848303","spectrum_index":1997},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180823-02!(3R,4R,5R)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid","exact_mass":336.085,"inchikey":"QMPHZIPNNJOWQI-GDDAOPKQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.09259,"smiles":"O[C@@H]1C=C(C[C@@H](OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000848306","spectrum_index":1998},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180823-02!(3R,4R,5R)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid","exact_mass":336.085,"inchikey":"QMPHZIPNNJOWQI-GDDAOPKQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":354.118805,"smiles":"O[C@@H]1C=C(C[C@@H](OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000848307","spectrum_index":1999},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385815-01!(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":368.162,"inchikey":"DKYFESWWIPJYTA-DVQDXYAYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.170898,"smiles":"COC1=CC(OC)=C2C(=O)C[C@H](OC2=C1\\C=C\\C(C)(C)O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000848308","spectrum_index":2000},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385815-01!(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":368.162,"inchikey":"DKYFESWWIPJYTA-DVQDXYAYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.160034,"smiles":"COC1=CC(OC)=C2C(=O)C[C@H](OC2=C1\\C=C\\C(C)(C)O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000848309","spectrum_index":2001},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385749-01!5-nonadecylbenzene-1,3-diol","exact_mass":376.334,"inchikey":"PUNOCEUUYUXUGR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.285553,"smiles":"CCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1","spectrum_id":"CCMSLIB00000848310","spectrum_index":2002},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347875-02!2,4-bis(3-methylbut-2-enyl)-5-(2-phenylethyl)benzene-1,3-diol","exact_mass":350.225,"inchikey":"PHPXAJCVSGIDFH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.231018,"smiles":"CC(C)=CCC1=C(O)C(CC=C(C)C)=C(O)C=C1CCC2=CC=CC=C2","spectrum_id":"CCMSLIB00000848311","spectrum_index":2003},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179757-02![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 4-hydroxybenzoate","exact_mass":392.111,"inchikey":"FTFZXPBVBBJTHV-OGJJZOIMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":410.143585,"smiles":"O[C@@H]1[C@@H](COC(=O)C2=CC=C(O)C=C2)O[C@@H](OC3=CC=C(O)C=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848312","spectrum_index":2004},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384764-01!3-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":418.09,"inchikey":"POQICXMTUPVZMX-AXWIHUDSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.096191,"smiles":"OC[C@@H]1O[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC=C(O)C=C4)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848313","spectrum_index":2005},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384775-01!(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxybutanedioic acid","exact_mass":448.101,"inchikey":"LIJMMUDJSMCVDJ-ZHBFVYIWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.106567,"smiles":"COC1=C(O)C=CC(\\C=C\\C(=O)O[C@H](C(O)=O)[C@](O)(CC2=CC(O)=C(O)C=C2)C(O)=O)=C1","spectrum_id":"CCMSLIB00000848314","spectrum_index":2006},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384775-01!(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxybutanedioic acid","exact_mass":448.101,"inchikey":"LIJMMUDJSMCVDJ-ZHBFVYIWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":466.133209,"smiles":"COC1=C(O)C=CC(\\C=C\\C(=O)O[C@H](C(O)=O)[C@](O)(CC2=CC(O)=C(O)C=C2)C(O)=O)=C1","spectrum_id":"CCMSLIB00000848315","spectrum_index":2007},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384771-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4,4,6,6-tetramethyl-2-(2-methylprop-1-enyl)-3,5-dioxocyclohexyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":568.216,"inchikey":"ZOEFIRUNMVHSJA-XXZDZOCTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":569.221375,"smiles":"CC(C)=CC1(O)C(O[C@@H]2O[C@H](COC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C(=O)C(C)(C)C1=O","spectrum_id":"CCMSLIB00000848316","spectrum_index":2008},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384771-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4,4,6,6-tetramethyl-2-(2-methylprop-1-enyl)-3,5-dioxocyclohexyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":568.216,"inchikey":"ZOEFIRUNMVHSJA-XXZDZOCTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":586.247803,"smiles":"CC(C)=CC1(O)C(O[C@@H]2O[C@H](COC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C(=O)C(C)(C)C1=O","spectrum_id":"CCMSLIB00000848317","spectrum_index":2009},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384776-01![6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":600.112,"inchikey":"STMNAPXMGWBZSF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":601.116028,"smiles":"OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C=C5)C(O)C1O","spectrum_id":"CCMSLIB00000848318","spectrum_index":2010},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380821-01!","exact_mass":348.157,"inchikey":"ZGHAVKULRAPSKM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.191071,"smiles":"CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C(O)CC2O)C(=C)C5","spectrum_id":"CCMSLIB00000848319","spectrum_index":2011},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380822-01!1-[(Z)-but-2-en-2-yl]-8-chloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one","exact_mass":360.076,"inchikey":"KZPINWADEGOBQG-YVMONPNESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.083008,"smiles":"C\\C=C(\\C)C1=CC(O)=C(C)C2=C1OC3=CC(O)=C(Cl)C(C)=C3C(=O)O2","spectrum_id":"CCMSLIB00000848320","spectrum_index":2012},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380822-01!1-[(Z)-but-2-en-2-yl]-8-chloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one","exact_mass":360.076,"inchikey":"KZPINWADEGOBQG-YVMONPNESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.109802,"smiles":"C\\C=C(\\C)C1=CC(O)=C(C)C2=C1OC3=CC(O)=C(Cl)C(C)=C3C(=O)O2","spectrum_id":"CCMSLIB00000848321","spectrum_index":2013},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180806-02!9-[[3-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)methyl]oxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one","exact_mass":382.105,"inchikey":"CISFAPDYRQPRCZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.110931,"smiles":"CC1=CC(CC2(C)OC2COC3=C4OC(=O)C=CC4=CC5=C3OC=C5)OC1=O","spectrum_id":"CCMSLIB00000848322","spectrum_index":2014},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180806-02!9-[[3-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)methyl]oxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one","exact_mass":382.105,"inchikey":"CISFAPDYRQPRCZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.137421,"smiles":"CC1=CC(CC2(C)OC2COC3=C4OC(=O)C=CC4=CC5=C3OC=C5)OC1=O","spectrum_id":"CCMSLIB00000848323","spectrum_index":2015},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347605-02!(2S,3R,4S,5R)-2-[4-[7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol","exact_mass":478.184,"inchikey":"QDWGYCCSJIYJAE-WWFRPTEMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":496.216064,"smiles":"COC1=CC(=CC=C1O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C3OC4=C(O)C=C(CCCO)C=C4C3CO","spectrum_id":"CCMSLIB00000848324","spectrum_index":2016},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380758-01!(2S,3R,10R,13R,14S)-17-[(2R,3R,5S)-2,3-dihydroxy-5,6-dimethylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","exact_mass":478.329,"inchikey":"KQBCIGPPRFLKLS-VVHPDZBTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.334595,"smiles":"CC(C)[C@@H](C)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00000848325","spectrum_index":2017},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179693-03![(1S,4aS,6S,7R,7aS)-4-methoxycarbonyl-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl] (1S,4aS,6S,7R,7aS)-6-acetyloxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":790.29,"inchikey":"YDHSGSSEZHFAJJ-YRJFMNGISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":791.292175,"smiles":"COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@H](C[C@H]13)OC(=O)C4=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]6[C@@H](C)[C@H](C[C@H]46)OC(C)=O","spectrum_id":"CCMSLIB00000848326","spectrum_index":2018},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179693-03![(1S,4aS,6S,7R,7aS)-4-methoxycarbonyl-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl] (1S,4aS,6S,7R,7aS)-6-acetyloxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":790.29,"inchikey":"YDHSGSSEZHFAJJ-YRJFMNGISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":808.318848,"smiles":"COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@H](C[C@H]13)OC(=O)C4=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]6[C@@H](C)[C@H](C[C@H]46)OC(C)=O","spectrum_id":"CCMSLIB00000848327","spectrum_index":2019},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380731-01!3-[6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(11-methyldodecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide","exact_mass":1070.58,"inchikey":"KKIVMGDDVLIFLL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1071.578491,"smiles":"CC(C)CCCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)N3CCCC3C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N1","spectrum_id":"CCMSLIB00000848328","spectrum_index":2020},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380731-01!3-[6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(11-methyldodecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide","exact_mass":1070.58,"inchikey":"KKIVMGDDVLIFLL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1093.559204,"smiles":"CC(C)CCCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)N3CCCC3C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N1","spectrum_id":"CCMSLIB00000848329","spectrum_index":2021},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385583-01!3-hydroxy-4-methoxyxanthen-9-one","exact_mass":242.058,"inchikey":"WRPFBSLWEKZESU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":243.065063,"smiles":"COC1=C(O)C=CC2=C1OC3=CC=CC=C3C2=O","spectrum_id":"CCMSLIB00000848330","spectrum_index":2022},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385058-01!5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one","exact_mass":284.068,"inchikey":"ZTHLHHDJRXJGRX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.075653,"smiles":"COC1=C(O)C(O)=C2C(=O)C=C(OC2=C1)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000848331","spectrum_index":2023},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385537-01!(6E,10E)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,6,10-trien-5-one","exact_mass":300.209,"inchikey":"KICOQGUOSKQVSW-YPOGWSRFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.215973,"smiles":"CC(C)=CCC(=O)C(\\C)=C\\CC\\C(C)=C\\CCC1=COC=C1","spectrum_id":"CCMSLIB00000848332","spectrum_index":2024},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169924-02!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","exact_mass":448.101,"inchikey":"PLAPMLGJVGLZOV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.107513,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C3OC(=CC(=O)C3=C(O)C=C2O)C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00000848333","spectrum_index":2025},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385059-01!5,7-dihydroxy-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one","exact_mass":548.153,"inchikey":"ZGVGUTOTMNVHSX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":549.159241,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C(C3OCC(O)C(O)C3O)=C4OC(=CC(=O)C4=C2O)C5=CC=CC=C5","spectrum_id":"CCMSLIB00000848334","spectrum_index":2026},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385059-01!5,7-dihydroxy-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one","exact_mass":548.153,"inchikey":"ZGVGUTOTMNVHSX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":571.141113,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C(C3OCC(O)C(O)C3O)=C4OC(=CC(=O)C4=C2O)C5=CC=CC=C5","spectrum_id":"CCMSLIB00000848335","spectrum_index":2027},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00090504-13!(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","exact_mass":256.074,"inchikey":"DXDRHHKMWQZJHT-FPYGCLRLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":257.081726,"smiles":"OC1=CC=C(\\C=C\\C(=O)C2=C(O)C=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00000848336","spectrum_index":2028},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016415-07!(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","exact_mass":290.079,"inchikey":"PFTAWBLQPZVEMU-UKRRQHHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.087341,"smiles":"O[C@@H]1CC2=C(O[C@@H]1C3=CC(O)=C(O)C=C3)C=C(O)C=C2O","spectrum_id":"CCMSLIB00000848337","spectrum_index":2029},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168957-02!(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one","exact_mass":302.079,"inchikey":"LZLGHWHSUZVUFZ-JKSUJKDBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.087311,"smiles":"COC1=CC2=C(C(=O)[C@H](O)[C@H](O2)C3=CC=C(O)C=C3)C(O)=C1","spectrum_id":"CCMSLIB00000848338","spectrum_index":2030},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385404-01!2-hydroxy-3-[2-(7-hydroxy-5-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-8-yl)ethylsulfanyl]propanoic acid","exact_mass":356.093,"inchikey":"RVFHMABKCYSPEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.101349,"smiles":"COC1=C2C(=O)CC(C)OC2=C(CCSCC(O)C(O)=O)C(O)=C1","spectrum_id":"CCMSLIB00000848339","spectrum_index":2031},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095850-04!5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one","exact_mass":372.121,"inchikey":"ULSUXBXHSYSGDT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.129242,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(OC)C(OC)=C(OC)C(OC)=C3O2","spectrum_id":"CCMSLIB00000848340","spectrum_index":2032},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169146-02!2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol","exact_mass":422.121,"inchikey":"UQKKDJWFQBNZBJ-PTVYBAHFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.128906,"smiles":"OC1COC(OC2=CC3=C(C[C@H](O)[C@H](O3)C4=CC(O)=C(O)C=C4)C(O)=C2)C(O)C1O","spectrum_id":"CCMSLIB00000848341","spectrum_index":2033},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385687-01!3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one","exact_mass":210.089,"inchikey":"VSDWHZGJGWMIRN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":211.096878,"smiles":"CC(C)CC(=O)C1=C(O)C=C(O)C=C1O","spectrum_id":"CCMSLIB00000848342","spectrum_index":2034},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384591-01![3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate","exact_mass":386.137,"inchikey":"QPQHCRKTYXPSQG-XGICHPGQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.144135,"smiles":"C\\C=C(\\C)C(=O)OC(C)(C)C(O)COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00000848343","spectrum_index":2035},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384591-01![3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate","exact_mass":386.137,"inchikey":"QPQHCRKTYXPSQG-XGICHPGQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.133606,"smiles":"C\\C=C(\\C)C(=O)OC(C)(C)C(O)COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00000848344","spectrum_index":2036},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384591-01![3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate","exact_mass":386.137,"inchikey":"QPQHCRKTYXPSQG-XGICHPGQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.170837,"smiles":"C\\C=C(\\C)C(=O)OC(C)(C)C(O)COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00000848345","spectrum_index":2037},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380577-01!3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one","exact_mass":552.106,"inchikey":"HDUZOHKOFFWLBU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.113159,"smiles":"COC1=CC(O)=C2C(=O)C(=C(OC2=C1)C3=CC=C(O)C=C3)C4=C5OC(=CC(=O)C5=C(O)C=C4O)C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00000848346","spectrum_index":2038},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384615-01!3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","exact_mass":758.191,"inchikey":"RWMOXJYSVNRRGE-UKBOIMOLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":759.198425,"smiles":"OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC(O)=C(O)C=C5)[C@@H]2O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848347","spectrum_index":2039},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384615-01!3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","exact_mass":758.191,"inchikey":"RWMOXJYSVNRRGE-UKBOIMOLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":781.178345,"smiles":"OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC(O)=C(O)C=C5)[C@@H]2O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848348","spectrum_index":2040},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384600-01![(2S,3R,4S,5S,6R)-2-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":902.248,"inchikey":"UDSPVVBVMAWQTL-ZPEFJKHXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":903.256104,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](OC3=C(OC4=CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5OC(=O)\\C=C\\C6=CC=C(O)C=C6)=CC(O)=C4C3=O)C7=CC=C(O)C=C7)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848349","spectrum_index":2041},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017352-31!5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol","exact_mass":228.079,"inchikey":"LUKBXSAWLPMMSZ-OWOJBTEDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.086121,"smiles":"OC1=CC=C(\\C=C\\C2=CC(O)=CC(O)=C2)C=C1","spectrum_id":"CCMSLIB00000848350","spectrum_index":2042},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180767-02!(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one","exact_mass":270.089,"inchikey":"NYSZJNUIVUBQMM-BQYQJAHWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.096619,"smiles":"COC1=C(C(=O)\\C=C\\C2=CC=CC=C2)C(O)=CC(O)=C1","spectrum_id":"CCMSLIB00000848351","spectrum_index":2043},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168909-02!(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":450.116,"inchikey":"ZROGCCBNZBKLEL-MPRHSVQHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.12323,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@H](OC3=C(C2=O)C(O)=CC(O)=C3)C4=CC(O)=C(O)C=C4)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848353","spectrum_index":2044},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385318-01!8-[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":556.101,"inchikey":"DAGFXZAYWUIGPC-LMSSTIIKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":557.106873,"smiles":"OC1=CC=C(C=C1)C2=CC(=O)C3=C(O)C=C(O)C([C@@H]4[C@H](OC5=CC(O)=CC(O)=C5C4=O)C6=CC(O)=C(O)C=C6)=C3O2","spectrum_id":"CCMSLIB00000848354","spectrum_index":2045},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00160628-06!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":610.153,"inchikey":"IKGXIBQEEMLURG-NVPNHPEKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.15979,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C(O)=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848355","spectrum_index":2046},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00160628-06!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":610.153,"inchikey":"IKGXIBQEEMLURG-NVPNHPEKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":633.141846,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C(O)=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848356","spectrum_index":2047},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179887-02!3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one","exact_mass":770.227,"inchikey":"NMGVHLDIHNFGQB-OTCPXFHUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":771.233032,"smiles":"COC1=CC2=C(C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)=C(O2)C6=CC(O)=C(O)C=C6)C(O)=C1","spectrum_id":"CCMSLIB00000848357","spectrum_index":2048},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380974-01!4,6-dihydroxy-3-methyl-2,3-dihydroisoindol-1-one","exact_mass":179.058,"inchikey":"OVASVJPBDPJABT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":180.064087,"smiles":"CC1NC(=O)C2=CC(O)=CC(O)=C12","spectrum_id":"CCMSLIB00000848358","spectrum_index":2049},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381028-01!7-(1,2-dihydroxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one","exact_mass":268.095,"inchikey":"YWEIWRDWTNXMJK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.099304,"smiles":"COC1=C(C(O)CO)C(O)=C2C(=O)CCC(O)C2=C1","spectrum_id":"CCMSLIB00000848359","spectrum_index":2050},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381028-01!7-(1,2-dihydroxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one","exact_mass":268.095,"inchikey":"YWEIWRDWTNXMJK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.0896,"smiles":"COC1=C(C(O)CO)C(O)=C2C(=O)CCC(O)C2=C1","spectrum_id":"CCMSLIB00000848360","spectrum_index":2051},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381018-01![3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-4,5-dimethoxybenzoate","exact_mass":360.106,"inchikey":"CXFDTBRNJQYDLK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.13681,"smiles":"COC1=CC(=CC(O)=C1OC)C(=O)OC2OC(CO)C(O)C(O)C2O","spectrum_id":"CCMSLIB00000848361","spectrum_index":2052},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380977-01!6-[(1E,3E,5E,7E)-8-[(2R,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-3-methylpyran-2-one","exact_mass":402.204,"inchikey":"QPSHETAOAVLQIF-AYGDVHJDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.208252,"smiles":"COC1=C(C)C(=O)OC(\\C=C\\C=C\\C=C\\C(C)=C\\[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)=C1","spectrum_id":"CCMSLIB00000848362","spectrum_index":2053},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380980-01!methyl 3-(3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoate","exact_mass":464.17,"inchikey":"PDUNPLZHIQQDAD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.172638,"smiles":"COC(=O)C(CC1(O)C2N(O)C(C)(C)C(=O)N2C3=CC=CC=C13)N4C=NC5=C(C=CC=C5)C4=O","spectrum_id":"CCMSLIB00000848363","spectrum_index":2054},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347764-02![4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate","exact_mass":710.242,"inchikey":"LZXXRASHAINSDN-XEHIIEKUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":711.244751,"smiles":"CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(OC(=O)\\C=C\\C2=CC=C(O)C=C2)C(=O)OCC3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3","spectrum_id":"CCMSLIB00000848364","spectrum_index":2055},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347764-02![4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate","exact_mass":710.242,"inchikey":"LZXXRASHAINSDN-XEHIIEKUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":728.269897,"smiles":"CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(OC(=O)\\C=C\\C2=CC=C(O)C=C2)C(=O)OCC3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3","spectrum_id":"CCMSLIB00000848365","spectrum_index":2056},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385547-01!(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-(3-methylbut-2-enoxy)-2,3-dihydrochromen-4-one","exact_mass":356.126,"inchikey":"CITFYDYEWQIEPX-VQTJNVASSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.13324,"smiles":"CC(C)=CCOC1=CC2=C(C(=O)[C@H](O)[C@H](O2)C3=CC=C(O)C=C3)C(O)=C1","spectrum_id":"CCMSLIB00000848366","spectrum_index":2057},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169184-02!7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":370.09,"inchikey":"CRSFLLTWRCYNNX-QBNNUVSCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.097107,"smiles":"COC1=C(O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C3OC(=O)C=CC3=C1","spectrum_id":"CCMSLIB00000848367","spectrum_index":2058},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169184-02!7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":370.09,"inchikey":"CRSFLLTWRCYNNX-QBNNUVSCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":388.12381,"smiles":"COC1=C(O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C3OC(=O)C=CC3=C1","spectrum_id":"CCMSLIB00000848368","spectrum_index":2059},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347525-03!2-amino-5-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]-4-hydroxyanilino]-5-oxopentanoic acid","exact_mass":414.164,"inchikey":"JMRJLJOBHHWYIV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.171234,"smiles":"CC(O)C(O)(C(C)O)C(=O)OCC1=CC(O)=CC=C1NC(=O)CCC(N)C(O)=O","spectrum_id":"CCMSLIB00000848369","spectrum_index":2060},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347525-03!2-amino-5-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]-4-hydroxyanilino]-5-oxopentanoic acid","exact_mass":414.164,"inchikey":"JMRJLJOBHHWYIV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.160797,"smiles":"CC(O)C(O)(C(C)O)C(=O)OCC1=CC(O)=CC=C1NC(=O)CCC(N)C(O)=O","spectrum_id":"CCMSLIB00000848370","spectrum_index":2061},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385558-01!(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-oct-1-en-3-yloxyoxane-3,4,5-triol","exact_mass":422.215,"inchikey":"MUPQSGHACLOUTE-PARKKQJRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":440.248657,"smiles":"CCCCCC(O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C=C","spectrum_id":"CCMSLIB00000848373","spectrum_index":2062},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180129-02!5-hydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one","exact_mass":578.164,"inchikey":"KAFSORTZFREQSQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.169678,"smiles":"CC1OC(OC2=C(C3OC(CO)C(O)C(O)C3O)C4=C(C(=O)C=C(O4)C5=CC=C(O)C=C5)C(O)=C2)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848374","spectrum_index":2063},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381310-01!(2S,3S,4S,5R,6S)-5-[(2S,3R,4R,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid","exact_mass":650.148,"inchikey":"AKKVGSBMNDOALT-DTFJXKMKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":651.153442,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2OC3=CC(O)=C4C(=O)C=C(OC4=C3)C5=CC(O)=C(O)C=C5)C(O)=O)[C@H](O)[C@H](OC(C)=O)[C@H]1O","spectrum_id":"CCMSLIB00000848375","spectrum_index":2064},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381310-01!(2S,3S,4S,5R,6S)-5-[(2S,3R,4R,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid","exact_mass":650.148,"inchikey":"AKKVGSBMNDOALT-DTFJXKMKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":668.189392,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2OC3=CC(O)=C4C(=O)C=C(OC4=C3)C5=CC(O)=C(O)C=C5)C(O)=O)[C@H](O)[C@H](OC(C)=O)[C@H]1O","spectrum_id":"CCMSLIB00000848376","spectrum_index":2065},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385571-01![1,3,12-triacetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl] 2-hydroxy-3-methylpentanoate","exact_mass":670.372,"inchikey":"XCYFMYRAJQOAQT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":688.403137,"smiles":"CCC(C)C(O)C(=O)OC1CC2C(C)(C)C(CC(OC(C)=O)C2(C)C3CC(OC(C)=O)C4(C)C(CC=C4C13C)C5=COC=C5)OC(C)=O","spectrum_id":"CCMSLIB00000848377","spectrum_index":2066},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015049-21!5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":270.053,"inchikey":"KZNIFHPLKGYRTM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.061737,"smiles":"OC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(O)C=C3O","spectrum_id":"CCMSLIB00000848378","spectrum_index":2067},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169012-02!7-[(3,3-dimethyloxiran-2-yl)methoxy]-6-methoxychromen-2-one","exact_mass":276.1,"inchikey":"FMXSCHCLGOEVNM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.108704,"smiles":"COC1=C(OCC2OC2(C)C)C=C3OC(=O)C=CC3=C1","spectrum_id":"CCMSLIB00000848379","spectrum_index":2068},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384501-01!2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one","exact_mass":302.079,"inchikey":"DSAJORLEPQBKDA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.088654,"smiles":"COC1=CC(O)=C2C(=O)CC(OC2=C1)C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000848380","spectrum_index":2069},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179985-02![(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate","exact_mass":310.105,"inchikey":"CJGRGYBLAHPYOM-HOLMNUNMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.114349,"smiles":"OC[C@H]1O[C@@H](OC(=O)\\C=C\\C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848381","spectrum_index":2070},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179985-02![(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate","exact_mass":310.105,"inchikey":"CJGRGYBLAHPYOM-HOLMNUNMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":328.140686,"smiles":"OC[C@H]1O[C@@H](OC(=O)\\C=C\\C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848382","spectrum_index":2071},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179950-02!(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-2,3-dihydrochromen-4-one","exact_mass":318.074,"inchikey":"MRPJBTFHICBFNE-JKSUJKDBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.083496,"smiles":"COC1=CC2=C(C(=O)[C@H](O)[C@H](O2)C3=CC(O)=C(O)C=C3)C(O)=C1","spectrum_id":"CCMSLIB00000848383","spectrum_index":2072},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179950-02!(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-2,3-dihydrochromen-4-one","exact_mass":318.074,"inchikey":"MRPJBTFHICBFNE-JKSUJKDBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.07251,"smiles":"COC1=CC2=C(C(=O)[C@H](O)[C@H](O2)C3=CC(O)=C(O)C=C3)C(O)=C1","spectrum_id":"CCMSLIB00000848384","spectrum_index":2073},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095546-02!2,4-dihydroxyheptadec-16-enyl acetate","exact_mass":328.261,"inchikey":"NLBYRERHXBTBBR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.270996,"smiles":"CC(=O)OCC(O)CC(O)CCCCCCCCCCCC=C","spectrum_id":"CCMSLIB00000848385","spectrum_index":2074},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095546-02!2,4-dihydroxyheptadec-16-enyl acetate","exact_mass":328.261,"inchikey":"NLBYRERHXBTBBR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.260468,"smiles":"CC(=O)OCC(O)CC(O)CCCCCCCCCCCC=C","spectrum_id":"CCMSLIB00000848386","spectrum_index":2075},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095546-02!2,4-dihydroxyheptadec-16-enyl acetate","exact_mass":328.261,"inchikey":"NLBYRERHXBTBBR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.297424,"smiles":"CC(=O)OCC(O)CC(O)CCCCCCCCCCCC=C","spectrum_id":"CCMSLIB00000848387","spectrum_index":2076},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384502-01!","exact_mass":442.126,"inchikey":"CDZUQIFWCXAIFB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.125244,"smiles":"COC1=CC2=C(C=C1OC)C3(O)C(OC4=C5CC(OC5=CC(O)=C4C3=O)C(C)=C)C(O)O2","spectrum_id":"CCMSLIB00000848388","spectrum_index":2077},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384500-01!3-(4-hydroxyphenyl)-7-methoxy-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":446.121,"inchikey":"AJAGLPDYKVWJQE-SQGFOMTPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.130371,"smiles":"COC1=CC(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C3C(=O)C(=COC3=C1)C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000848389","spectrum_index":2078},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385402-01!(E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","exact_mass":270.089,"inchikey":"PACBGANPVNHGNP-RUDMXATFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.095032,"smiles":"COC1=C(C=CC(O)=C1)C(=O)\\C=C\\C2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000848390","spectrum_index":2079},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381202-01!3,15-dihydroxyhexadecanoic acid","exact_mass":288.23,"inchikey":"IGEZKJDTCCZVOD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.236023,"smiles":"CC(O)CCCCCCCCCCCC(O)CC(O)=O","spectrum_id":"CCMSLIB00000848391","spectrum_index":2080},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381197-01!2,3-dihydroxypropyl 12-methyltridecanoate","exact_mass":302.246,"inchikey":"ZGNRVILZVRTZON-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.234863,"smiles":"CC(C)CCCCCCCCCCC(=O)OCC(O)CO","spectrum_id":"CCMSLIB00000848392","spectrum_index":2081},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169259-02![1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-yl] acetate","exact_mass":366.241,"inchikey":"XPDBYTRMUWQPTF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.246002,"smiles":"CC(O)CCCCCCCCCC(CC1=CC(O)=CC(O)=C1)OC(C)=O","spectrum_id":"CCMSLIB00000848393","spectrum_index":2082},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169259-02![1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-yl] acetate","exact_mass":366.241,"inchikey":"XPDBYTRMUWQPTF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":384.272675,"smiles":"CC(O)CCCCCCCCCC(CC1=CC(O)=CC(O)=C1)OC(C)=O","spectrum_id":"CCMSLIB00000848394","spectrum_index":2083},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385384-01![(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate","exact_mass":562.351,"inchikey":"LKYNAQSYQLFTCM-KGCOOEROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":580.380981,"smiles":"CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000848395","spectrum_index":2084},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385384-01![(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate","exact_mass":562.351,"inchikey":"LKYNAQSYQLFTCM-KGCOOEROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":604.400513,"smiles":"CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000848396","spectrum_index":2085},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180412-02![5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","exact_mass":652.237,"inchikey":"RLGRBYHBNWLGER-RMKNXTFCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":653.23999,"smiles":"COC1=C(O)C=CC(CCOC2OC(CO)C(OC(=O)\\C=C\\C3=CC(OC)=C(O)C=C3)C(OC4OC(C)C(O)C(O)C4O)C2O)=C1","spectrum_id":"CCMSLIB00000848397","spectrum_index":2086},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180412-02![5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","exact_mass":652.237,"inchikey":"RLGRBYHBNWLGER-RMKNXTFCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":670.264954,"smiles":"COC1=C(O)C=CC(CCOC2OC(CO)C(OC(=O)\\C=C\\C3=CC(OC)=C(O)C=C3)C(OC4OC(C)C(O)C(O)C4O)C2O)=C1","spectrum_id":"CCMSLIB00000848398","spectrum_index":2087},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384976-01!9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one","exact_mass":262.084,"inchikey":"HKXQUNNSKMWIKJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":280.12085,"smiles":"CC1(C)OC2=CC=C3C=CC(=O)OC3=C2C(O)C1O","spectrum_id":"CCMSLIB00000848399","spectrum_index":2088},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384976-01!9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one","exact_mass":262.084,"inchikey":"HKXQUNNSKMWIKJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.078644,"smiles":"CC1(C)OC2=CC=C3C=CC(=O)OC3=C2C(O)C1O","spectrum_id":"CCMSLIB00000848400","spectrum_index":2089},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386013-01!5,7,9-trimethoxy-2-methylbenzo[h]chromen-4-one","exact_mass":300.1,"inchikey":"DKGUEFRDUTUORF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.109955,"smiles":"COC1=CC(OC)=C2C=C(OC)C3=C(OC(C)=CC3=O)C2=C1","spectrum_id":"CCMSLIB00000848401","spectrum_index":2090},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347601-02!2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl acetate","exact_mass":356.162,"inchikey":"AWMHMGFGCLBSAY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.172943,"smiles":"CC(=O)OC(C)(C)C1CC2=CC3=C(OC(=O)C(=C3)C(C)(C)C=C)C=C2O1","spectrum_id":"CCMSLIB00000848402","spectrum_index":2091},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015757-10!6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one","exact_mass":413.147,"inchikey":"AKNNEGZIBPJZJG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":414.158905,"smiles":"COC1=C(OC)C2=C(C=C1)C(OC2=O)C3N(C)CCC4=C3C(OC)=C5OCOC5=C4","spectrum_id":"CCMSLIB00000848403","spectrum_index":2092},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169054-02!3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":430.126,"inchikey":"MGJLSBDCWOSMHL-MIUGBVLSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.138092,"smiles":"COC1=CC=C(C=C1)C2=COC3=C(C=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3)C2=O","spectrum_id":"CCMSLIB00000848404","spectrum_index":2093},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169368-03!3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan","exact_mass":446.194,"inchikey":"HRLFUIXSXUASEX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.20517,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OCC3C2COC3C4=CC(OC)=C(OC)C(OC)=C4","spectrum_id":"CCMSLIB00000848405","spectrum_index":2094},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169368-03!3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan","exact_mass":446.194,"inchikey":"HRLFUIXSXUASEX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":464.231873,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OCC3C2COC3C4=CC(OC)=C(OC)C(OC)=C4","spectrum_id":"CCMSLIB00000848406","spectrum_index":2095},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380372-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide","exact_mass":253.131,"inchikey":"LFXMHSJWYXKODM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":254.139511,"smiles":"CCC(C)C(NC(C)=O)C1=CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00000848409","spectrum_index":2096},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380372-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide","exact_mass":253.131,"inchikey":"LFXMHSJWYXKODM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.166168,"smiles":"CCC(C)C(NC(C)=O)C1=CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00000848410","spectrum_index":2097},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380372-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide","exact_mass":253.131,"inchikey":"LFXMHSJWYXKODM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.127106,"smiles":"CCC(C)C(NC(C)=O)C1=CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00000848411","spectrum_index":2098},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380370-01!(Z)-1,4-bis(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbut-2-ene-1,4-dione","exact_mass":356.126,"inchikey":"ZTNYRNGTBAGYIZ-QXMHVHEDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.134277,"smiles":"COC1=CC(=CC=C1O)C(=O)C(\\C)=C(\\C)C(=O)C2=CC(OC)=C(O)C=C2","spectrum_id":"CCMSLIB00000848412","spectrum_index":2099},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380370-01!(Z)-1,4-bis(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbut-2-ene-1,4-dione","exact_mass":356.126,"inchikey":"ZTNYRNGTBAGYIZ-QXMHVHEDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.124237,"smiles":"COC1=CC(=CC=C1O)C(=O)C(\\C)=C(\\C)C(=O)C2=CC(OC)=C(O)C=C2","spectrum_id":"CCMSLIB00000848413","spectrum_index":2100},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347565-02![3-(4-hydroxy-3-methoxybenzoyl)-2,3-dimethyloxiran-2-yl]-(4-hydroxy-3-methoxyphenyl)methanone","exact_mass":372.121,"inchikey":"ZDJWTWORZULMCQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.129089,"smiles":"COC1=CC(=CC=C1O)C(=O)C2(C)OC2(C)C(=O)C3=CC=C(O)C(OC)=C3","spectrum_id":"CCMSLIB00000848414","spectrum_index":2101},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347565-02![3-(4-hydroxy-3-methoxybenzoyl)-2,3-dimethyloxiran-2-yl]-(4-hydroxy-3-methoxyphenyl)methanone","exact_mass":372.121,"inchikey":"ZDJWTWORZULMCQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":390.155396,"smiles":"COC1=CC(=CC=C1O)C(=O)C2(C)OC2(C)C(=O)C3=CC=C(O)C(OC)=C3","spectrum_id":"CCMSLIB00000848415","spectrum_index":2102},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380371-01!5-hydroxy-2,2,6,6-tetramethyl-4-[3-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]butyl]cyclohex-4-ene-1,3-dione","exact_mass":446.23,"inchikey":"ZGUNMNCNGJXADK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.238922,"smiles":"CC(C)CC(C1=C(O)C(C(=O)C(C)C)=C(O)C=C1O)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O","spectrum_id":"CCMSLIB00000848416","spectrum_index":2103},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380371-01!5-hydroxy-2,2,6,6-tetramethyl-4-[3-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]butyl]cyclohex-4-ene-1,3-dione","exact_mass":446.23,"inchikey":"ZGUNMNCNGJXADK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.228149,"smiles":"CC(C)CC(C1=C(O)C(C(=O)C(C)C)=C(O)C=C1O)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O","spectrum_id":"CCMSLIB00000848417","spectrum_index":2104},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380368-01!methyl 3,15,21-tris[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]docosanoate","exact_mass":888.493,"inchikey":"BKEFKSNTAPNAHR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":889.498779,"smiles":"COC(=O)CC(CCCCCCCCCCCC(CCCCCC(C)OC1OC(CO)C(O)C(O)C1O)OC2OC(CO)C(O)C(O)C2O)OC3OC(CO)C(O)C(O)C3O","spectrum_id":"CCMSLIB00000848418","spectrum_index":2105},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380368-01!methyl 3,15,21-tris[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]docosanoate","exact_mass":888.493,"inchikey":"BKEFKSNTAPNAHR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":906.523743,"smiles":"COC(=O)CC(CCCCCCCCCCCC(CCCCCC(C)OC1OC(CO)C(O)C(O)C1O)OC2OC(CO)C(O)C(O)C2O)OC3OC(CO)C(O)C(O)C3O","spectrum_id":"CCMSLIB00000848419","spectrum_index":2106},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095653-05!3-hydroxy-2-phenylchromen-4-one","exact_mass":238.063,"inchikey":"HVQAJTFOCKOKIN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.07196,"smiles":"OC1=C(OC2=C(C=CC=C2)C1=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000848420","spectrum_index":2107},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384672-01!(E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","exact_mass":286.084,"inchikey":"DRDRYGIIYOPBBZ-XBXARRHUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.093811,"smiles":"COC1=C(O)C(O)=CC=C1\\C=C\\C(=O)C2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000848421","spectrum_index":2108},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385691-01!(E)-6-hydroxyoctadec-4-enoic acid","exact_mass":298.251,"inchikey":"SCZSILIHRULXII-NTCAYCPXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.245392,"smiles":"CCCCCCCCCCCCC(O)\\C=C\\CCC(O)=O","spectrum_id":"CCMSLIB00000848422","spectrum_index":2109},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385691-01!(E)-6-hydroxyoctadec-4-enoic acid","exact_mass":298.251,"inchikey":"SCZSILIHRULXII-NTCAYCPXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":340.28775,"smiles":"CCCCCCCCCCCCC(O)\\C=C\\CCC(O)=O","spectrum_id":"CCMSLIB00000848423","spectrum_index":2110},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180117-02!4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol","exact_mass":358.142,"inchikey":"HGXBRUKMWQGOIE-AFHBHXEDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.179047,"smiles":"COC1=C(O)C=CC(=C1)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3C4=CC(OC)=C(O)C=C4","spectrum_id":"CCMSLIB00000848425","spectrum_index":2111},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180783-02!5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one","exact_mass":360.085,"inchikey":"XUWTZJRCCPNNJR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.094696,"smiles":"COC1=C(O)C=CC(=C1)C2=C(OC)C(=O)C3=C(O2)C=C(O)C(OC)=C3O","spectrum_id":"CCMSLIB00000848426","spectrum_index":2112},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384968-02!7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one","exact_mass":400.225,"inchikey":"WNANPKYNOALKIV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.235107,"smiles":"CC1(O)CCC2C(C)(C)C(O)CCC2(C)C1COC3=CC4=C(C=CC(=O)O4)C=C3","spectrum_id":"CCMSLIB00000848427","spectrum_index":2113},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180492-02![2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate","exact_mass":584.174,"inchikey":"BHHRYVYZZQIPGU-NXEOTYAVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":585.183472,"smiles":"OC[C@H]1O[C@@H](OC2=C(COC(=O)C3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=CC=C3O)C=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848429","spectrum_index":2114},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180492-02![2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate","exact_mass":584.174,"inchikey":"BHHRYVYZZQIPGU-NXEOTYAVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":602.210632,"smiles":"OC[C@H]1O[C@@H](OC2=C(COC(=O)C3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=CC=C3O)C=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848430","spectrum_index":2115},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168824-02!(E)-undec-2-enedioic acid","exact_mass":214.121,"inchikey":"PRHYKPOPIDLQKJ-SOFGYWHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":215.126831,"smiles":"OC(=O)CCCCCCC\\C=C\\C(O)=O","spectrum_id":"CCMSLIB00000848431","spectrum_index":2116},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180132-02!(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide","exact_mass":299.116,"inchikey":"VATOSFCFMOPAHX-XCVCLJGOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.122009,"smiles":"OC(CNC(=O)\\C=C\\C1=CC=C(O)C=C1)C2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000848432","spectrum_index":2117},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381178-01!3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydropyrano[4,3-b]chromene-9-carboxylic acid","exact_mass":308.053,"inchikey":"FCYKAQOGGFGCMD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.059357,"smiles":"CC1(O)CC2=C(CO1)C(=O)C3=C(C(O)=O)C(O)=C(O)C=C3O2","spectrum_id":"CCMSLIB00000848433","spectrum_index":2118},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381178-01!3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydropyrano[4,3-b]chromene-9-carboxylic acid","exact_mass":308.053,"inchikey":"FCYKAQOGGFGCMD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.048462,"smiles":"CC1(O)CC2=C(CO1)C(=O)C3=C(C(O)=O)C(O)=C(O)C=C3O2","spectrum_id":"CCMSLIB00000848434","spectrum_index":2119},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381174-01!3-hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid","exact_mass":431.288,"inchikey":"LQIHCTVXRQRKEH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.293762,"smiles":"CCC(C)CCC(O)CC(=O)OC(CCCCC(C)C)CC(=O)NC(CO)C(O)=O","spectrum_id":"CCMSLIB00000848435","spectrum_index":2120},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381174-01!3-hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid","exact_mass":431.288,"inchikey":"LQIHCTVXRQRKEH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.319489,"smiles":"CCC(C)CCC(O)CC(=O)OC(CCCCC(C)C)CC(=O)NC(CO)C(O)=O","spectrum_id":"CCMSLIB00000848436","spectrum_index":2121},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381174-01!3-hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid","exact_mass":431.288,"inchikey":"LQIHCTVXRQRKEH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":454.276062,"smiles":"CCC(C)CCC(O)CC(=O)OC(CCCCC(C)C)CC(=O)NC(CO)C(O)=O","spectrum_id":"CCMSLIB00000848437","spectrum_index":2122},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381173-01!13-oxo-7-[3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxytetradecanoic acid","exact_mass":434.252,"inchikey":"IBDPEULNUMJDEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.256409,"smiles":"COCC1OC(OC(CCCCCC(C)=O)CCCCCC(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848438","spectrum_index":2123},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381173-01!13-oxo-7-[3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxytetradecanoic acid","exact_mass":434.252,"inchikey":"IBDPEULNUMJDEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":452.283264,"smiles":"COCC1OC(OC(CCCCCC(C)=O)CCCCCC(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848439","spectrum_index":2124},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381175-01!3-hydroxy-2-[[3-[3-(3-hydroxy-6-methylheptanoyl)oxy-6-methylheptanoyl]oxy-8-methylnonanoyl]amino]propanoic acid","exact_mass":559.372,"inchikey":"MWZPHNZNPKKSEI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":560.376282,"smiles":"CC(C)CCCCC(CC(=O)NC(CO)C(O)=O)OC(=O)CC(CCC(C)C)OC(=O)CC(O)CCC(C)C","spectrum_id":"CCMSLIB00000848440","spectrum_index":2125},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381175-01!3-hydroxy-2-[[3-[3-(3-hydroxy-6-methylheptanoyl)oxy-6-methylheptanoyl]oxy-8-methylnonanoyl]amino]propanoic acid","exact_mass":559.372,"inchikey":"MWZPHNZNPKKSEI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.4021,"smiles":"CC(C)CCCCC(CC(=O)NC(CO)C(O)=O)OC(=O)CC(CCC(C)C)OC(=O)CC(O)CCC(C)C","spectrum_id":"CCMSLIB00000848441","spectrum_index":2126},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381175-01!3-hydroxy-2-[[3-[3-(3-hydroxy-6-methylheptanoyl)oxy-6-methylheptanoyl]oxy-8-methylnonanoyl]amino]propanoic acid","exact_mass":559.372,"inchikey":"MWZPHNZNPKKSEI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":582.358398,"smiles":"CC(C)CCCCC(CC(=O)NC(CO)C(O)=O)OC(=O)CC(CCC(C)C)OC(=O)CC(O)CCC(C)C","spectrum_id":"CCMSLIB00000848442","spectrum_index":2127},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180414-02!2-[[4-[4-(2,4-dimethoxy-6-methylbenzoyl)oxy-2-methoxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoyl]amino]propanoic acid","exact_mass":581.19,"inchikey":"WPXATJMWMPFBJS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":582.193787,"smiles":"COC1=CC(OC)=C(C(=O)OC2=CC(OC)=C(C(=O)OC3=CC(O)=C(C(=O)NC(C)C(O)=O)C(C)=C3)C(C)=C2)C(C)=C1","spectrum_id":"CCMSLIB00000848443","spectrum_index":2128},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180414-02!2-[[4-[4-(2,4-dimethoxy-6-methylbenzoyl)oxy-2-methoxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoyl]amino]propanoic acid","exact_mass":581.19,"inchikey":"WPXATJMWMPFBJS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":599.234741,"smiles":"COC1=CC(OC)=C(C(=O)OC2=CC(OC)=C(C(=O)OC3=CC(O)=C(C(=O)NC(C)C(O)=O)C(C)=C3)C(C)=C2)C(C)=C1","spectrum_id":"CCMSLIB00000848444","spectrum_index":2129},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180022-02!6-[[(3S,4S,6aR,8aR,9S,10R,12aS,14bR)-9-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid","exact_mass":1106.55,"inchikey":"QSWYVJWAKZGGIL-BQHOWTECSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1107.548096,"smiles":"CC1(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C(O)=O)[C@](C)(CO)C5CC[C@@]4(C)C3(C)CC[C@@]2(C)[C@H](OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)[C@@H]1O","spectrum_id":"CCMSLIB00000848445","spectrum_index":2130},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168840-03!5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid","exact_mass":320.235,"inchikey":"RNWHJFUXZQBBLK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.242615,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O","spectrum_id":"CCMSLIB00000848446","spectrum_index":2131},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168840-03!5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid","exact_mass":320.235,"inchikey":"RNWHJFUXZQBBLK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":338.269043,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O","spectrum_id":"CCMSLIB00000848447","spectrum_index":2132},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385229-01!5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxychromen-4-one","exact_mass":374.1,"inchikey":"GMQFOKBGMKVUQZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.107513,"smiles":"COC1=CC=CC(O)=C1C2=CC(=O)C3=C(O)C(OC)=C(OC)C(OC)=C3O2","spectrum_id":"CCMSLIB00000848448","spectrum_index":2133},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347728-02!3-(5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl)hexanoic acid","exact_mass":388.189,"inchikey":"JZWLSXINEVHWEP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.195923,"smiles":"CCCC(CC(O)=O)C1=C2OC(C)C(C)C(=O)C2=C(O)C3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00000848449","spectrum_index":2134},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178486-02!5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":432.106,"inchikey":"KMOUJOKENFFTPU-QNDFHXLGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.113068,"smiles":"OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)C=C(O3)C4=CC=C(O)C=C4)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848450","spectrum_index":2135},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169000-02![(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":756.248,"inchikey":"JMBINOWGIHWPJI-UNSOMVRXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.25293,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC(O)=C(O)C=C3)O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]2OC(=O)\\C=C\\C5=CC(O)=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848451","spectrum_index":2136},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169000-02![(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":756.248,"inchikey":"JMBINOWGIHWPJI-UNSOMVRXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":774.280212,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC(O)=C(O)C=C3)O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]2OC(=O)\\C=C\\C5=CC(O)=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848452","spectrum_index":2137},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385263-01![(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate","exact_mass":788.107,"inchikey":"XFLTYUCKJRFDOU-XPMKZLBQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":806.139893,"smiles":"OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@@H]1OC(=O)C5=CC(O)=C(O)C(O)=C5","spectrum_id":"CCMSLIB00000848453","spectrum_index":2138},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385116-01!5,6,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one","exact_mass":300.063,"inchikey":"XVMMEYCPXZYLAI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.068512,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(O)C(O)=C(O)C=C3O2","spectrum_id":"CCMSLIB00000848454","spectrum_index":2139},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381232-01!5,7-dihydroxy-2-(2,3,4-trihydroxyphenyl)chromen-4-one","exact_mass":302.043,"inchikey":"MIRFNZKXFFLSRY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.047791,"smiles":"OC1=CC(O)=C2C(=O)C=C(OC2=C1)C3=C(O)C(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000848455","spectrum_index":2140},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385138-01!","exact_mass":428.147,"inchikey":"NSFCLBVWJYYZMR-DNVFCKCGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.140778,"smiles":"COC1=CC2=C(C=C1OC)[C@@]3(O)[C@@H](CO2)OC4=C5C[C@@H](OC5=CC=C4C3=O)C(C)(C)O","spectrum_id":"CCMSLIB00000848456","spectrum_index":2141},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384563-02!5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one","exact_mass":534.137,"inchikey":"LDVNKZYMYPZDAI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.140808,"smiles":"OC1COC(C(O)C1O)C2=C(O)C(C3OCC(O)C(O)C3O)=C4OC(=CC(=O)C4=C2O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000848457","spectrum_index":2142},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384563-02!5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one","exact_mass":534.137,"inchikey":"LDVNKZYMYPZDAI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":557.120605,"smiles":"OC1COC(C(O)C1O)C2=C(O)C(C3OCC(O)C(O)C3O)=C4OC(=CC(=O)C4=C2O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000848458","spectrum_index":2143},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385133-01!7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":594.158,"inchikey":"ZEJXENDZTYVXDP-CSJHBIPPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.160767,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=CC(O)=C4C(=O)C(O)=C(OC4=C3)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848461","spectrum_index":2144},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179919-03!3-hydroxy-3-methyl-5-oxo-5-[[3,4,5-trihydroxy-6-[6-methoxy-2-oxo-3-(2-oxochromen-7-yl)oxychromen-7-yl]oxyoxan-2-yl]methoxy]pentanoic acid","exact_mass":658.153,"inchikey":"ZTLZGWDERZVHNS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":659.154907,"smiles":"COC1=C(OC2OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C2O)C=C3OC(=O)C(OC4=CC5=C(C=CC(=O)O5)C=C4)=CC3=C1","spectrum_id":"CCMSLIB00000848462","spectrum_index":2145},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179919-03!3-hydroxy-3-methyl-5-oxo-5-[[3,4,5-trihydroxy-6-[6-methoxy-2-oxo-3-(2-oxochromen-7-yl)oxychromen-7-yl]oxyoxan-2-yl]methoxy]pentanoic acid","exact_mass":658.153,"inchikey":"ZTLZGWDERZVHNS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":676.181274,"smiles":"COC1=C(OC2OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C2O)C=C3OC(=O)C(OC4=CC5=C(C=CC(=O)O5)C=C4)=CC3=C1","spectrum_id":"CCMSLIB00000848463","spectrum_index":2146},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381236-01![(2S,3S,4R,5R,6R)-5-acetyloxy-3-hydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] acetate","exact_mass":706.211,"inchikey":"ZVMMEKFQYNWINU-OWCJGASRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":707.211853,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(O)C(OC)=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2","spectrum_id":"CCMSLIB00000848464","spectrum_index":2147},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381236-01![(2S,3S,4R,5R,6R)-5-acetyloxy-3-hydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] acetate","exact_mass":706.211,"inchikey":"ZVMMEKFQYNWINU-OWCJGASRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":729.193176,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(O)C(OC)=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2","spectrum_id":"CCMSLIB00000848465","spectrum_index":2148},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381235-01!3-[4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one","exact_mass":754.232,"inchikey":"JGDLCWFCXJLERP-ZSTRHOSHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":755.232849,"smiles":"COC1=CC(O)=C2C(=O)C(OC3OC(CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C(O)C(O)C3O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)=C(OC2=C1)C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00000848466","spectrum_index":2149},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381235-01!3-[4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one","exact_mass":754.232,"inchikey":"JGDLCWFCXJLERP-ZSTRHOSHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":777.21759,"smiles":"COC1=CC(O)=C2C(=O)C(OC3OC(CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C(O)C(O)C3O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)=C(OC2=C1)C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00000848467","spectrum_index":2150},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180701-02!4-oxo-5-phenylpentanoic acid","exact_mass":192.079,"inchikey":"LTNSOYZGFPWHOF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":193.085175,"smiles":"OC(=O)CCC(=O)CC1=CC=CC=C1","spectrum_id":"CCMSLIB00000848468","spectrum_index":2151},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180701-02!4-oxo-5-phenylpentanoic acid","exact_mass":192.079,"inchikey":"LTNSOYZGFPWHOF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":210.11232,"smiles":"OC(=O)CCC(=O)CC1=CC=CC=C1","spectrum_id":"CCMSLIB00000848469","spectrum_index":2152},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381339-01!methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoate","exact_mass":310.214,"inchikey":"NLZZWSRYPUGPEO-QUYVSBDASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.22168,"smiles":"COC(=O)\\C=C\\C(C)=C\\CC(O)C(\\C)=C\\CCC(C)C(C)O","spectrum_id":"CCMSLIB00000848470","spectrum_index":2153},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381339-01!methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoate","exact_mass":310.214,"inchikey":"NLZZWSRYPUGPEO-QUYVSBDASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.210754,"smiles":"COC(=O)\\C=C\\C(C)=C\\CC(O)C(\\C)=C\\CCC(C)C(C)O","spectrum_id":"CCMSLIB00000848471","spectrum_index":2154},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347689-02!3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one","exact_mass":332.022,"inchikey":"MOLWVPJZUNCMGV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.029236,"smiles":"COC1=CC(OC)=C2C(=O)OC(CC(O)C(Cl)Cl)=CC2=C1","spectrum_id":"CCMSLIB00000848472","spectrum_index":2155},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347754-02!(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate","exact_mass":398.137,"inchikey":"HITZIDGSAVZVQH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.143768,"smiles":"COC1C=C(COC(=O)C2=CC=CC=C2)C(O)C(OC(=O)C3=CC=CC=C3)C1O","spectrum_id":"CCMSLIB00000848473","spectrum_index":2156},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347754-02!(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate","exact_mass":398.137,"inchikey":"HITZIDGSAVZVQH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":416.170471,"smiles":"COC1C=C(COC(=O)C2=CC=CC=C2)C(O)C(OC(=O)C3=CC=CC=C3)C1O","spectrum_id":"CCMSLIB00000848474","spectrum_index":2157},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180259-02!2-(hydroxymethyl)-6-[4-[(2S,3S)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol","exact_mass":520.194,"inchikey":"SPWHQAUMLDQOFU-LWZOEEAQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.190826,"smiles":"COC1=C2O[C@@H]([C@H](CO)C2=CC(\\C=C\\CO)=C1)C3=CC(OC)=C(OC4OC(CO)C(O)C(O)C4O)C=C3","spectrum_id":"CCMSLIB00000848475","spectrum_index":2158},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180259-02!2-(hydroxymethyl)-6-[4-[(2S,3S)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol","exact_mass":520.194,"inchikey":"SPWHQAUMLDQOFU-LWZOEEAQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":538.227722,"smiles":"COC1=C2O[C@@H]([C@H](CO)C2=CC(\\C=C\\CO)=C1)C3=CC(OC)=C(OC4OC(CO)C(O)C(O)C4O)C=C3","spectrum_id":"CCMSLIB00000848476","spectrum_index":2159},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169778-02!5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":594.195,"inchikey":"RMCRQBAILCLJGU-SMCKTMTRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.2005,"smiles":"COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O","spectrum_id":"CCMSLIB00000848477","spectrum_index":2160},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381450-01!8-hydroxy-3-(2-hydroxypropyl)-6-methoxychromen-2-one","exact_mass":250.084,"inchikey":"YQILNNCHDIUIAD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.090836,"smiles":"COC1=CC(O)=C2OC(=O)C(CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00000848478","spectrum_index":2161},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381450-01!8-hydroxy-3-(2-hydroxypropyl)-6-methoxychromen-2-one","exact_mass":250.084,"inchikey":"YQILNNCHDIUIAD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.080032,"smiles":"COC1=CC(O)=C2OC(=O)C(CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00000848479","spectrum_index":2162},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384603-01!3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene","exact_mass":284.105,"inchikey":"VPGIGLKLCFOWDN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.110779,"smiles":"COC1=CC2=C(C=C1)C3COC4=CC(OC)=CC=C4C3O2","spectrum_id":"CCMSLIB00000848480","spectrum_index":2163},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180805-02!5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one","exact_mass":286.084,"inchikey":"OKBWVJGQTFYYQA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":304.117065,"smiles":"COC1=CC=C(C=C1)C2CC(=O)OC3=C2C(O)=CC(O)=C3","spectrum_id":"CCMSLIB00000848481","spectrum_index":2164},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179980-03!methyl 2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2-dihydroxanthene-1-carboxylate","exact_mass":318.074,"inchikey":"MPAKYMOQGZITTQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.080292,"smiles":"COC(=O)C1C(O)C=CC2=C1C(=O)C3=C(O2)C=C(CO)C=C3O","spectrum_id":"CCMSLIB00000848482","spectrum_index":2165},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347866-02!N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide","exact_mass":446.133,"inchikey":"PCMUPOUDXMFDRE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.138092,"smiles":"COC1=CC=C2C=C(N(C)C(=O)C3=NOC4C(O)C=CC(O)C4(O)C3)C(=O)OC2=C1OC","spectrum_id":"CCMSLIB00000848485","spectrum_index":2166},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180574-02!5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":478.111,"inchikey":"CQLRUIIRRZYHHS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.11615,"smiles":"COC1=C(O)C=CC(=C1)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C4=C(O2)C=C(O)C=C4O","spectrum_id":"CCMSLIB00000848486","spectrum_index":2167},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381451-01!(1S,4S,7R,10S,13S)-7,10-di(butan-2-yl)-4-propan-2-yl-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone","exact_mass":529.239,"inchikey":"PIXYPRXKMCTYQV-UPELKQERSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":530.243774,"smiles":"CCC(C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2CSSC[C@@H](NC1=O)C(=O)N2)C(C)C)C(C)CC","spectrum_id":"CCMSLIB00000848487","spectrum_index":2168},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381451-01!(1S,4S,7R,10S,13S)-7,10-di(butan-2-yl)-4-propan-2-yl-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone","exact_mass":529.239,"inchikey":"PIXYPRXKMCTYQV-UPELKQERSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":547.27002,"smiles":"CCC(C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2CSSC[C@@H](NC1=O)C(=O)N2)C(C)C)C(C)CC","spectrum_id":"CCMSLIB00000848488","spectrum_index":2169},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385917-01!5-phenyl-1,3-oxazolidin-2-one","exact_mass":163.063,"inchikey":"ARILQDNHZGKJBK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":181.101578,"smiles":"O=C1NCC(O1)C2=CC=CC=C2","spectrum_id":"CCMSLIB00000848489","spectrum_index":2170},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178706-03!1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone","exact_mass":204.115,"inchikey":"QJAPFSSVKIZTMR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":205.122849,"smiles":"CC(C)=CCC1=C(O)C=CC(=C1)C(C)=O","spectrum_id":"CCMSLIB00000848490","spectrum_index":2171},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095535-06!(E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one","exact_mass":238.099,"inchikey":"KJHHAPASNNVTSN-KPKJPENVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.107407,"smiles":"COC1=CC=C(C=C1)C(=O)\\C=C\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00000848491","spectrum_index":2172},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180030-03!1-(2,4,5-trimethoxyphenyl)propane-1,2-diol","exact_mass":242.115,"inchikey":"ZSTCCLUBWBHJMP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":225.112885,"smiles":"COC1=CC(OC)=C(OC)C=C1C(O)C(C)O","spectrum_id":"CCMSLIB00000848492","spectrum_index":2173},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385399-01!3-hydroxy-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acid","exact_mass":220.058,"inchikey":"OMIHCBSQSYMFDP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":238.090668,"smiles":"COC(=O)CC(O)(CC(O)=O)C(=O)OC","spectrum_id":"CCMSLIB00000848493","spectrum_index":2174},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385366-01!(9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate","exact_mass":386.137,"inchikey":"LYUZYPKZQDYMEE-WDZFZDKYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.167542,"smiles":"C\\C=C(\\C)C(=O)OC1C(OC(C)=O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00000848494","spectrum_index":2175},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385366-01!(9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate","exact_mass":386.137,"inchikey":"LYUZYPKZQDYMEE-WDZFZDKYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.124847,"smiles":"C\\C=C(\\C)C(=O)OC1C(OC(C)=O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00000848495","spectrum_index":2176},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347726-02!","exact_mass":410.137,"inchikey":"AQBZCCQCDWNNJQ-AUSIDOKSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.131134,"smiles":"COC1=CC2=C(C=C1OC)[C@@]3(O)[C@@H](CO2)OC4=C5C=CC(C)(C)OC5=CC=C4C3=O","spectrum_id":"CCMSLIB00000848496","spectrum_index":2177},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178802-07!N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide","exact_mass":560.353,"inchikey":"UBQYURCVBFRUQT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.356812,"smiles":"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","spectrum_id":"CCMSLIB00000848497","spectrum_index":2178},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178802-07!N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide","exact_mass":560.353,"inchikey":"UBQYURCVBFRUQT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":583.338501,"smiles":"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","spectrum_id":"CCMSLIB00000848498","spectrum_index":2179},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385370-01!8-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":594.158,"inchikey":"NDSUKTASTPEKBX-LXXMDOISSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.160584,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)C3=C4OC(=CC(=O)C4=C(O)C=C3O)C5=CC=C(O)C=C5)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848499","spectrum_index":2180},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380601-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]acetamide","exact_mass":239.116,"inchikey":"WCMUUYZSUQJWRX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":240.122162,"smiles":"COC1=CC(=O)OC(=C1)C(NC(C)=O)C(C)C","spectrum_id":"CCMSLIB00000848500","spectrum_index":2181},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380601-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]acetamide","exact_mass":239.116,"inchikey":"WCMUUYZSUQJWRX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":257.14859,"smiles":"COC1=CC(=O)OC(=C1)C(NC(C)=O)C(C)C","spectrum_id":"CCMSLIB00000848501","spectrum_index":2182},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380600-01!3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one","exact_mass":272.068,"inchikey":"LCSDQFNUYFTXMT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.074677,"smiles":"COC1=CC2=C(C(=O)OC3=CC(O)=CC(C)=C23)C(O)=C1","spectrum_id":"CCMSLIB00000848502","spectrum_index":2183},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380469-01![2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate","exact_mass":374.137,"inchikey":"IAFDNCWNSBMBIV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.141479,"smiles":"CC(C)C(=O)OC1C(OC2=C1C=C3C=CC(=O)OC3=C2)C(C)(C)OC(C)=O","spectrum_id":"CCMSLIB00000848503","spectrum_index":2184},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380469-01![2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate","exact_mass":374.137,"inchikey":"IAFDNCWNSBMBIV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":392.169037,"smiles":"CC(C)C(=O)OC1C(OC2=C1C=C3C=CC(=O)OC3=C2)C(C)(C)OC(C)=O","spectrum_id":"CCMSLIB00000848504","spectrum_index":2185},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169179-03![(5R,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E)-6,7-dihydroxyocta-2,4-dienoate","exact_mass":420.215,"inchikey":"AVBLSPPEZPLINV-LPUDELNJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":438.247314,"smiles":"CC(O)C(O)\\C=C\\C=C\\C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]3(C)CCCC(C)(C)C13","spectrum_id":"CCMSLIB00000848505","spectrum_index":2186},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380596-01!2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,6-dihydroxybenzoyl]-5-formyl-3-hydroxybenzoic acid","exact_mass":438.168,"inchikey":"HTPFCQBRMHUAEU-VIZOYTHASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.173248,"smiles":"CC(C)=CCC\\C(C)=C\\CC1=C(O)C(C(=O)C2=C(C=C(C=O)C=C2O)C(O)=O)=C(O)C=C1","spectrum_id":"CCMSLIB00000848506","spectrum_index":2187},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380474-01!5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2R,3S)-3,5,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]chromen-4-one","exact_mass":542.121,"inchikey":"JDRLMOFOBWKOPI-MUAVYFROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.126892,"smiles":"O[C@H]1CC2=C(O)C=C(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C5=CC=C(O)C=C5)C(O)=C2O[C@@H]1C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00000848507","spectrum_index":2188},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380474-01!5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2R,3S)-3,5,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]chromen-4-one","exact_mass":542.121,"inchikey":"JDRLMOFOBWKOPI-MUAVYFROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":560.151855,"smiles":"O[C@H]1CC2=C(O)C=C(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C5=CC=C(O)C=C5)C(O)=C2O[C@@H]1C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00000848508","spectrum_index":2189},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380100-01!(5R)-2-amino-5-(1H-indol-3-ylmethyl)-1,3-oxazol-4-one","exact_mass":229.085,"inchikey":"FGTZCVGIFPOOSE-SNVBAGLBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.093689,"smiles":"NC1=NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)O1","spectrum_id":"CCMSLIB00000848509","spectrum_index":2190},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380101-01!4-[5-(1,2-dihydroxypropan-2-yl)-2-methyloxolan-2-yl]benzoic acid","exact_mass":280.131,"inchikey":"CDJASGYUUYAVNP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.139404,"smiles":"CC(O)(CO)C1CCC(C)(O1)C2=CC=C(C=C2)C(O)=O","spectrum_id":"CCMSLIB00000848510","spectrum_index":2191},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380099-01!(2-hydroxy-3,6-diphenylcyclohexyl) acetate","exact_mass":310.157,"inchikey":"RRGRXDIGPVAQIW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.165894,"smiles":"CC(=O)OC1C(O)C(CCC1C2=CC=CC=C2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000848511","spectrum_index":2192},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380099-01!(2-hydroxy-3,6-diphenylcyclohexyl) acetate","exact_mass":310.157,"inchikey":"RRGRXDIGPVAQIW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":328.192596,"smiles":"CC(=O)OC1C(O)C(CCC1C2=CC=CC=C2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000848512","spectrum_index":2193},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380102-01!3-hexadecyl-4-methoxy-5-methyloxolan-2-one","exact_mass":354.313,"inchikey":"DJNFXUFERDZHCD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":372.348999,"smiles":"CCCCCCCCCCCCCCCCC1C(OC)C(C)OC1=O","spectrum_id":"CCMSLIB00000848515","spectrum_index":2194},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380104-01![5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-8-yl] acetate","exact_mass":504.127,"inchikey":"BDYOPMNSRCQBHE-JQTGAJGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":505.136383,"smiles":"COC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)=C(OC2=C1OC(C)=O)C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000848516","spectrum_index":2195},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385439-01!(2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide","exact_mass":249.119,"inchikey":"KNGBXFMEGLRFHV-PRKJJMSOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":250.12674,"smiles":"CC(C)CNC(=O)\\C=C\\C=C\\CC1=CC=CS1","spectrum_id":"CCMSLIB00000848517","spectrum_index":2196},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385437-01!5-undecylbenzene-1,3-diol","exact_mass":264.209,"inchikey":"SXRLJXDYAKBNRZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.2164,"smiles":"CCCCCCCCCCCC1=CC(O)=CC(O)=C1","spectrum_id":"CCMSLIB00000848518","spectrum_index":2197},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347382-02!(2E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,8-dien-1-one","exact_mass":341.199,"inchikey":"PKLGRWSJBLGIBF-JMQWPVDRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":342.206696,"smiles":"O=C(\\C=C\\CCCC\\C=C\\C1=CC=C2OCOC2=C1)N3CCCCC3","spectrum_id":"CCMSLIB00000848519","spectrum_index":2198},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347382-02!(2E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,8-dien-1-one","exact_mass":341.199,"inchikey":"PKLGRWSJBLGIBF-JMQWPVDRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.188904,"smiles":"O=C(\\C=C\\CCCC\\C=C\\C1=CC=C2OCOC2=C1)N3CCCCC3","spectrum_id":"CCMSLIB00000848520","spectrum_index":2199},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095321-06!(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one","exact_mass":368.126,"inchikey":"ZIUSSTSXXLLKKK-KOBPDPAPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.134338,"smiles":"COC1=CC(\\C=C\\C(=O)\\C=C(O)\\C=C\\C2=CC=C(O)C(OC)=C2)=CC=C1O","spectrum_id":"CCMSLIB00000848521","spectrum_index":2200},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385431-01!2-(1,2-dihydroxyethyl)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid","exact_mass":382.09,"inchikey":"LYTOSEBVFHNSFK-DUXPYHPUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.098633,"smiles":"OCC(O)C1OC(=CC(O)C1OC(=O)\\C=C\\C2=CC=C(O)C(O)=C2)C(O)=O","spectrum_id":"CCMSLIB00000848522","spectrum_index":2201},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385431-01!2-(1,2-dihydroxyethyl)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid","exact_mass":382.09,"inchikey":"LYTOSEBVFHNSFK-DUXPYHPUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.125244,"smiles":"OCC(O)C1OC(=CC(O)C1OC(=O)\\C=C\\C2=CC=C(O)C(O)=C2)C(O)=O","spectrum_id":"CCMSLIB00000848523","spectrum_index":2202},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385436-01!","exact_mass":410.246,"inchikey":"KTLZDUANNXLDEG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.248505,"smiles":"OC1=CC2=C(C(O)=C1)C3=C(O)C=C(CCCC=CCCCCCCCCC2)C=C3O","spectrum_id":"CCMSLIB00000848524","spectrum_index":2203},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385380-02!3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","exact_mass":626.148,"inchikey":"UTECWQIXBMWRRR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":627.155579,"smiles":"OCC1OC(OC2C(CO)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC(O)=C(O)C=C5)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848525","spectrum_index":2204},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385420-01!(E)-1-(1,3,6,8-tetramethoxynaphthalen-2-yl)but-2-en-1-one","exact_mass":316.131,"inchikey":"ZMZIJISGTULHCL-VOTSOKGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.142151,"smiles":"COC1=CC(OC)=C2C(=C1)C=C(OC)C(C(=O)\\C=C\\C)=C2OC","spectrum_id":"CCMSLIB00000848527","spectrum_index":2205},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385420-01!(E)-1-(1,3,6,8-tetramethoxynaphthalen-2-yl)but-2-en-1-one","exact_mass":316.131,"inchikey":"ZMZIJISGTULHCL-VOTSOKGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":334.168427,"smiles":"COC1=CC(OC)=C2C(=C1)C=C(OC)C(C(=O)\\C=C\\C)=C2OC","spectrum_id":"CCMSLIB00000848528","spectrum_index":2206},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385426-01!2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","exact_mass":496.304,"inchikey":"RRCGNPRHZQPOOT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":497.315948,"smiles":"CC(O)(CO)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C","spectrum_id":"CCMSLIB00000848529","spectrum_index":2207},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385434-01!8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":594.158,"inchikey":"FYTOTHFWELWOCG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.171326,"smiles":"OCC1OC(OC2C(O)C(O)C(CO)OC2C3=C4OC(=CC(=O)C4=C(O)C=C3O)C5=CC=C(O)C=C5)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848530","spectrum_index":2208},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385418-01!2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","exact_mass":640.164,"inchikey":"NMZDJTDURFIQKE-WPMCBUBKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":641.17627,"smiles":"COC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)=C(OC2=C1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C5=CC(O)=C(O)C=C5","spectrum_id":"CCMSLIB00000848532","spectrum_index":2209},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385427-01!17-[2,3-dihydroxy-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","exact_mass":642.362,"inchikey":"VJAXSGXKVCCJNY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":625.363709,"smiles":"CC(C)(CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)OC5OC(CO)C(O)C(O)C5O","spectrum_id":"CCMSLIB00000848533","spectrum_index":2210},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385427-01!17-[2,3-dihydroxy-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","exact_mass":642.362,"inchikey":"VJAXSGXKVCCJNY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":660.39917,"smiles":"CC(C)(CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)OC5OC(CO)C(O)C(O)C5O","spectrum_id":"CCMSLIB00000848534","spectrum_index":2211},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385427-01!17-[2,3-dihydroxy-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","exact_mass":642.362,"inchikey":"VJAXSGXKVCCJNY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":665.358337,"smiles":"CC(C)(CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)OC5OC(CO)C(O)C(O)C5O","spectrum_id":"CCMSLIB00000848535","spectrum_index":2212},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385414-01!3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":742.196,"inchikey":"RIRIPDPAMZKRKD-UKBOIMOLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":743.209656,"smiles":"OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C=C5)[C@@H]2O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848536","spectrum_index":2213},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385433-01![4-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":786.258,"inchikey":"PSFMBXYUQFAGAM-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":787.270203,"smiles":"CC1OC(OC2C(O)C(COC(=O)\\C=C\\C3=CC(O)=C(O)C=C3)OC(OCCC4=CC=C(O)C(O)=C4)C2O)C(OC5OC(CO)C(O)C(O)C5O)C(O)C1O","spectrum_id":"CCMSLIB00000848537","spectrum_index":2214},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385433-01![4-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":786.258,"inchikey":"PSFMBXYUQFAGAM-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":804.298828,"smiles":"CC1OC(OC2C(O)C(COC(=O)\\C=C\\C3=CC(O)=C(O)C=C3)OC(OCCC4=CC=C(O)C(O)=C4)C2O)C(OC5OC(CO)C(O)C(O)C5O)C(O)C1O","spectrum_id":"CCMSLIB00000848538","spectrum_index":2215},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381013-01!5-hydroxy-2-(3-hydroxy-2-methoxycarbonyl-5-methylphenoxy)-3-methoxybenzoic acid","exact_mass":348.085,"inchikey":"AVVJEAPNVWBPQC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.089081,"smiles":"COC(=O)C1=C(O)C=C(C)C=C1OC2=C(C=C(O)C=C2OC)C(O)=O","spectrum_id":"CCMSLIB00000848539","spectrum_index":2216},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380956-01!(E)-9-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydec-4-enoic acid","exact_mass":364.173,"inchikey":"LOXLRESYSNWIMK-DUXPYHPUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.177612,"smiles":"CC(O)CCC(OC1OC(CO)C(O)C(O)C1O)\\C=C\\CCC(O)=O","spectrum_id":"CCMSLIB00000848540","spectrum_index":2217},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180352-03!(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid","exact_mass":454.126,"inchikey":"QQDLPJHEFJKVHT-MJRVOHGCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.129517,"smiles":"O[C@H]1[C@H](OC2=C(C=C(O)C(C3=CC=CC=C3)=C2O)C4=CC=CC=C4)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000848541","spectrum_index":2218},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180352-03!(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid","exact_mass":454.126,"inchikey":"QQDLPJHEFJKVHT-MJRVOHGCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":472.156128,"smiles":"O[C@H]1[C@H](OC2=C(C=C(O)C(C3=CC=CC=C3)=C2O)C4=CC=CC=C4)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000848542","spectrum_index":2219},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179806-02![4,5-diacetyloxy-6-[7-hydroxy-5-methoxy-4-oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-6-yl]oxan-3-yl] acetate","exact_mass":704.195,"inchikey":"UPTPSJJNEWBOBD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":705.19812,"smiles":"COC1=C2C(=O)C=C(OC2=CC(O)=C1C3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4","spectrum_id":"CCMSLIB00000848543","spectrum_index":2220},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180240-02!3-hydroxy-4-(2-hydroxy-6-methylheptan-2-yl)benzoic acid","exact_mass":266.152,"inchikey":"VZXPWVDKXCYHSI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.146637,"smiles":"CC(C)CCCC(C)(O)C1=C(O)C=C(C=C1)C(O)=O","spectrum_id":"CCMSLIB00000848544","spectrum_index":2221},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180240-02!3-hydroxy-4-(2-hydroxy-6-methylheptan-2-yl)benzoic acid","exact_mass":266.152,"inchikey":"VZXPWVDKXCYHSI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.183807,"smiles":"CC(C)CCCC(C)(O)C1=C(O)C=C(C=C1)C(O)=O","spectrum_id":"CCMSLIB00000848545","spectrum_index":2222},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180191-02!8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one","exact_mass":276.1,"inchikey":"DKEANOQWICTXTP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.105042,"smiles":"COC1=C(C(O)C(O)C(C)=C)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000848546","spectrum_index":2223},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180191-02!8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one","exact_mass":276.1,"inchikey":"DKEANOQWICTXTP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.094208,"smiles":"COC1=C(C(O)C(O)C(C)=C)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000848547","spectrum_index":2224},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180191-02!8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one","exact_mass":276.1,"inchikey":"DKEANOQWICTXTP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":294.131287,"smiles":"COC1=C(C(O)C(O)C(C)=C)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000848548","spectrum_index":2225},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381266-01!4-hydroxy-5-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-3-methylhexan-2-one","exact_mass":276.173,"inchikey":"FTTQBBNJVTYJPS-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.167023,"smiles":"CC(C(O)C(C)C1=C(\\C=C\\CO)C=C(C)C=C1)C(C)=O","spectrum_id":"CCMSLIB00000848552","spectrum_index":2226},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169315-02!2-(hydroxymethyl)-6-[5-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol","exact_mass":522.21,"inchikey":"RWEVZSYWIIZZFV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.238709,"smiles":"COC1=C2OC(C(CO)C2=CC(CCCO)=C1)C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(OC)C=C3","spectrum_id":"CCMSLIB00000848553","spectrum_index":2227},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381268-01!6-[4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":562.169,"inchikey":"ZUUPZDSDPDQRJK-VXPJCVMDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.170715,"smiles":"C[C@@H]1O[C@@H](OC2C(O)C(O)C(C)OC2C3=C(O)C=C4OC(=CC(=O)C4=C3O)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848554","spectrum_index":2228},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381268-01!6-[4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":562.169,"inchikey":"ZUUPZDSDPDQRJK-VXPJCVMDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":585.151367,"smiles":"C[C@@H]1O[C@@H](OC2C(O)C(O)C(C)OC2C3=C(O)C=C4OC(=CC(=O)C4=C3O)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848555","spectrum_index":2229},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381268-01!6-[4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":562.169,"inchikey":"ZUUPZDSDPDQRJK-VXPJCVMDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":601.145142,"smiles":"C[C@@H]1O[C@@H](OC2C(O)C(O)C(C)OC2C3=C(O)C=C4OC(=CC(=O)C4=C3O)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848556","spectrum_index":2230},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385129-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one","exact_mass":578.164,"inchikey":"MVOUGOXRXQDXDC-RSPRXDBDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.165039,"smiles":"C[C@@H]1O[C@H]([C@H](O)[C@H](O)[C@H]1O)C2=C3OC(=CC(=O)C3=C(O)C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C2O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000848557","spectrum_index":2231},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381267-01![(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-4-yl] (E)-3-phenylprop-2-enoate","exact_mass":586.205,"inchikey":"CEYGYPUVRXNKQV-RKLDQHABSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":587.206543,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)\\C=C\\C3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](OC(=O)\\C=C\\C4=CC=CC=C4)[C@H]1O","spectrum_id":"CCMSLIB00000848559","spectrum_index":2232},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381267-01![(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-4-yl] (E)-3-phenylprop-2-enoate","exact_mass":586.205,"inchikey":"CEYGYPUVRXNKQV-RKLDQHABSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":604.233582,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)\\C=C\\C3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](OC(=O)\\C=C\\C4=CC=CC=C4)[C@H]1O","spectrum_id":"CCMSLIB00000848560","spectrum_index":2233},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386107-01!(3E,5E)-2-(4-methoxy-4-oxobutyl)nona-3,5-dienoic acid","exact_mass":254.152,"inchikey":"QPFWOYDHBWPHSS-SBIWHPGTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.159637,"smiles":"CCC\\C=C\\C=C\\C(CCCC(=O)OC)C(O)=O","spectrum_id":"CCMSLIB00000848561","spectrum_index":2234},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00142553-05!5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":284.105,"inchikey":"IAFBOKYTDSDNHV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.11264,"smiles":"COC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(OC)=C1","spectrum_id":"CCMSLIB00000848562","spectrum_index":2235},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169536-02!2,3-dihydroxypropyl 3-hydroxytetradecanoate","exact_mass":318.241,"inchikey":"YQORPGJDFBRUFL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":336.274872,"smiles":"CCCCCCCCCCCC(O)CC(=O)OCC(O)CO","spectrum_id":"CCMSLIB00000848563","spectrum_index":2236},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385985-02![3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate","exact_mass":376.152,"inchikey":"RPWASDJXFDDBFQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.160217,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C(O)C(O)C(=C)COC(=O)CC(C)C","spectrum_id":"CCMSLIB00000848564","spectrum_index":2237},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385985-02![3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate","exact_mass":376.152,"inchikey":"RPWASDJXFDDBFQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.149719,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C(O)C(O)C(=C)COC(=O)CC(C)C","spectrum_id":"CCMSLIB00000848565","spectrum_index":2238},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385985-02![3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate","exact_mass":376.152,"inchikey":"RPWASDJXFDDBFQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.186615,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C(O)C(O)C(=C)COC(=O)CC(C)C","spectrum_id":"CCMSLIB00000848566","spectrum_index":2239},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385985-02![3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate","exact_mass":376.152,"inchikey":"RPWASDJXFDDBFQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.144531,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C(O)C(O)C(=C)COC(=O)CC(C)C","spectrum_id":"CCMSLIB00000848567","spectrum_index":2240},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386021-01!8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one","exact_mass":394.142,"inchikey":"OBIUGMGQVQMVSK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.149597,"smiles":"COC1=CC(OC)=C(C=C1OC)C2=COC3=C4C=CC(C)(C)OC4=CC=C3C2=O","spectrum_id":"CCMSLIB00000848572","spectrum_index":2241},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178013-03!7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":578.164,"inchikey":"RPMNUQRUHXIGHK-PYXJVEIZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.170898,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=CC4=C(C(=O)C=C(O4)C5=CC=C(O)C=C5)C(O)=C3)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848573","spectrum_index":2242},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169246-02!5-(hydroxymethyl)-3-(1-hydroxy-4-methylpentyl)oxolan-2-one","exact_mass":216.136,"inchikey":"OMQVQJDDMZUVNL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":234.169556,"smiles":"CC(C)CCC(O)C1CC(CO)OC1=O","spectrum_id":"CCMSLIB00000848574","spectrum_index":2243},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180645-03!2-acetamido-3-(1H-indol-3-yl)propanoic acid","exact_mass":246.1,"inchikey":"DZTHIGRZJZPRDV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.106293,"smiles":"CC(=O)NC(CC1=CNC2=C1C=CC=C2)C(O)=O","spectrum_id":"CCMSLIB00000848575","spectrum_index":2244},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381407-01!","exact_mass":264.136,"inchikey":"CWAJEURPJYKGRL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.146088,"smiles":"CC1=C2CC3OC3(C)CCC4OC4(C)CC2OC1=O","spectrum_id":"CCMSLIB00000848576","spectrum_index":2245},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381407-01!","exact_mass":264.136,"inchikey":"CWAJEURPJYKGRL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.169769,"smiles":"CC1=C2CC3OC3(C)CCC4OC4(C)CC2OC1=O","spectrum_id":"CCMSLIB00000848577","spectrum_index":2246},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381408-01!4-hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one","exact_mass":280.167,"inchikey":"DGADHBAZBHETGH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.174042,"smiles":"COC1OC(=O)C2=C1C3(C)CCCC(C)(C)C3CC2O","spectrum_id":"CCMSLIB00000848578","spectrum_index":2247},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381408-01!4-hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one","exact_mass":280.167,"inchikey":"DGADHBAZBHETGH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.200836,"smiles":"COC1OC(=O)C2=C1C3(C)CCCC(C)(C)C3CC2O","spectrum_id":"CCMSLIB00000848579","spectrum_index":2248},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015645-08!N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide","exact_mass":307.215,"inchikey":"XJQPQKLURWNAAH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.220917,"smiles":"COC1=C(O)C=CC(CNC(=O)CCCCCCC(C)C)=C1","spectrum_id":"CCMSLIB00000848580","spectrum_index":2249},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347534-02![2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate","exact_mass":706.378,"inchikey":"YPZBTERWDWUANF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":724.407654,"smiles":"CCCCCCCCCC(=O)OC1C(OC2(CO)OC(CO)C(O)C2OC(=O)C(C)C)OC(CO)C(OC(=O)C(C)C)C1OC(=O)C(C)C","spectrum_id":"CCMSLIB00000848581","spectrum_index":2250},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380098-01!(2R,3R,4S,5S,6R)-2-[3-(2-hydroxyethyl)-4-(hydroxymethyl)hex-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":336.178,"inchikey":"LXZLWLTYJBHIOS-GUOHCIKTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.186859,"smiles":"OCCC(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(CO)C=C","spectrum_id":"CCMSLIB00000848582","spectrum_index":2251},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380098-01!(2R,3R,4S,5S,6R)-2-[3-(2-hydroxyethyl)-4-(hydroxymethyl)hex-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":336.178,"inchikey":"LXZLWLTYJBHIOS-GUOHCIKTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":354.21344,"smiles":"OCCC(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(CO)C=C","spectrum_id":"CCMSLIB00000848583","spectrum_index":2252},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380094-01!4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid","exact_mass":366.059,"inchikey":"ZQFOLQKZDARIIB-DUXPYHPUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":384.095245,"smiles":"OC1C(OC(=O)\\C=C\\C2=CC=C(O)C(O)=C2)C=C(OC1C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000848584","spectrum_index":2253},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380093-01!methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":388.137,"inchikey":"CSKKDSFETGLMSB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.146057,"smiles":"COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC=O","spectrum_id":"CCMSLIB00000848585","spectrum_index":2254},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380093-01!methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":388.137,"inchikey":"CSKKDSFETGLMSB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.172974,"smiles":"COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC=O","spectrum_id":"CCMSLIB00000848586","spectrum_index":2255},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380532-01![4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3-acetyloxy-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanoate","exact_mass":536.189,"inchikey":"OCPITUSJSRGORS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.188904,"smiles":"CC(OC(C)=O)C(O)(CC1=CC=C(O)C=C1)C(=O)OCC2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2","spectrum_id":"CCMSLIB00000848587","spectrum_index":2256},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380532-01![4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3-acetyloxy-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanoate","exact_mass":536.189,"inchikey":"OCPITUSJSRGORS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":554.225769,"smiles":"CC(OC(C)=O)C(O)(CC1=CC=C(O)C=C1)C(=O)OCC2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2","spectrum_id":"CCMSLIB00000848588","spectrum_index":2257},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386066-01!2-[(2-hydroxy-3-methylbutanoyl)amino]-4-methylpentanoic acid","exact_mass":231.147,"inchikey":"SWEPQJJUAVEABL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":232.155182,"smiles":"CC(C)CC(NC(=O)C(O)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00000848589","spectrum_index":2258},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386069-01!ethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate","exact_mass":238.084,"inchikey":"TURXCFUGBPBPRS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.091751,"smiles":"CCOC(=O)CC1=C(C(C)=O)C(O)=CC(O)=C1","spectrum_id":"CCMSLIB00000848590","spectrum_index":2259},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386073-01!(Z)-2-dec-9-enylpent-2-enedioic acid","exact_mass":268.167,"inchikey":"GAZHKBVZIMUZLZ-QBFSEMIESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.202332,"smiles":"OC(=O)C\\C=C(\\CCCCCCCCC=C)C(O)=O","spectrum_id":"CCMSLIB00000848591","spectrum_index":2260},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384485-01!7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one","exact_mass":286.084,"inchikey":"CWZLMWSCLBFCBY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.092468,"smiles":"COC1=C2C(=O)CC(OC2=CC(O)=C1)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000848592","spectrum_index":2261},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347824-02!6-[(2E,6E)-4,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one","exact_mass":420.215,"inchikey":"HYVHGKDHDRBYPY-DCIPZJNNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.223633,"smiles":"COC1=CC(=O)OC(\\C(C)=C\\C(C)(O)C(O)C(\\C)=C\\C2(C)OC(C)C3(C)OC23)=C1C","spectrum_id":"CCMSLIB00000848593","spectrum_index":2262},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347824-02!6-[(2E,6E)-4,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one","exact_mass":420.215,"inchikey":"HYVHGKDHDRBYPY-DCIPZJNNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.213257,"smiles":"COC1=CC(=O)OC(\\C(C)=C\\C(C)(O)C(O)C(\\C)=C\\C2(C)OC(C)C3(C)OC23)=C1C","spectrum_id":"CCMSLIB00000848594","spectrum_index":2263},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347824-02!6-[(2E,6E)-4,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one","exact_mass":420.215,"inchikey":"HYVHGKDHDRBYPY-DCIPZJNNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":438.250488,"smiles":"COC1=CC(=O)OC(\\C(C)=C\\C(C)(O)C(O)C(\\C)=C\\C2(C)OC(C)C3(C)OC23)=C1C","spectrum_id":"CCMSLIB00000848595","spectrum_index":2264},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate","exact_mass":752.419,"inchikey":"CPKXIKIVLSMABL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":753.42749,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000848596","spectrum_index":2265},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate","exact_mass":752.419,"inchikey":"CPKXIKIVLSMABL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":735.416504,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000848597","spectrum_index":2266},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate","exact_mass":752.419,"inchikey":"CPKXIKIVLSMABL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":770.452942,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000848598","spectrum_index":2267},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169348-03!(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione","exact_mass":302.174,"inchikey":"RSGRSUVVCYUKLM-XFFZJAGNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.185181,"smiles":"CC(C)C1NC(=O)\\C(NC1=O)=C\\C2=C(NC=N2)C(C)(C)C=C","spectrum_id":"CCMSLIB00000848599","spectrum_index":2268},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180500-03!(2S,3S,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol","exact_mass":376.152,"inchikey":"KCIQZCNOUZCRGH-VOBQZIQPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.152771,"smiles":"COC1=CC2=C(C=C1O)[C@@H]([C@@H](CO)[C@](O)(CO)C2)C3=CC(OC)=C(O)C=C3","spectrum_id":"CCMSLIB00000848600","spectrum_index":2269},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180782-02!5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","exact_mass":432.106,"inchikey":"MYXNWGACZJSMBT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.117249,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C2O","spectrum_id":"CCMSLIB00000848601","spectrum_index":2270},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347405-02!(4S,5Z,6S)-5-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethylidene]-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid","exact_mass":566.164,"inchikey":"MGEVYVDQMTWJNV-HOPHSATRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":567.176086,"smiles":"COC(=O)C[C@H]1\\C(=C\\COC(=O)\\C=C\\C2=CC=C(O)C=C2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(O)=O","spectrum_id":"CCMSLIB00000848602","spectrum_index":2271},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347405-02!(4S,5Z,6S)-5-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethylidene]-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid","exact_mass":566.164,"inchikey":"MGEVYVDQMTWJNV-HOPHSATRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":584.203369,"smiles":"COC(=O)C[C@H]1\\C(=C\\COC(=O)\\C=C\\C2=CC=C(O)C=C2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(O)=O","spectrum_id":"CCMSLIB00000848603","spectrum_index":2272},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016345-11!7-hydroxy-4-methylchromen-2-one","exact_mass":176.047,"inchikey":"HSHNITRMYYLLCV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":177.055389,"smiles":"CC1=CC(=O)OC2=C1C=CC(O)=C2","spectrum_id":"CCMSLIB00000848604","spectrum_index":2273},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385855-01!(2R,3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":264.157,"inchikey":"JVAZJLFFSJARQM-RMPHRYRLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.165405,"smiles":"CCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848605","spectrum_index":2274},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168899-02!5-hydroxy-6,7-dimethoxy-2-phenylchromen-4-one","exact_mass":298.084,"inchikey":"SIVAITYPYQQYAP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.093079,"smiles":"COC1=C(OC)C(O)=C2C(=O)C=C(OC2=C1)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000848606","spectrum_index":2275},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385833-01![(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate","exact_mass":442.09,"inchikey":"WKIHBIBUCQPPBY-NQIIRXRSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.099426,"smiles":"O[C@@H]1CC2=C(O)C=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2O[C@H]1C4=CC=C(O)C(O)=C4","spectrum_id":"CCMSLIB00000848607","spectrum_index":2276},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385834-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methoxychromen-2-one","exact_mass":486.137,"inchikey":"DCERMUGUBKSKBM-DSEJFMNZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.146942,"smiles":"COC1=C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C4OC(=O)C=CC4=C1","spectrum_id":"CCMSLIB00000848608","spectrum_index":2277},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385834-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methoxychromen-2-one","exact_mass":486.137,"inchikey":"DCERMUGUBKSKBM-DSEJFMNZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":509.12851,"smiles":"COC1=C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C4OC(=O)C=CC4=C1","spectrum_id":"CCMSLIB00000848609","spectrum_index":2278},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385828-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one","exact_mass":624.169,"inchikey":"QHLKSZBFIJJREC-SPSUIZEHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":625.17926,"smiles":"COC1=C(O)C=CC(=C1)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C(=O)C5=C(O)C=C(O)C=C5O2","spectrum_id":"CCMSLIB00000848610","spectrum_index":2279},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381255-01!8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid","exact_mass":244.131,"inchikey":"QSAIBULZNVPLAJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.136917,"smiles":"COC(=O)C(CCCCC(C)O)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000848611","spectrum_index":2280},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381255-01!8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid","exact_mass":244.131,"inchikey":"QSAIBULZNVPLAJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":262.163269,"smiles":"COC(=O)C(CCCCC(C)O)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000848612","spectrum_index":2281},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169264-02!8-hydroxy-3-(4-hydroxypentyl)-3,4-dihydroisochromen-1-one","exact_mass":250.121,"inchikey":"JDIGWVAMJGGRBY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.125916,"smiles":"CC(O)CCCC1CC2=C(C(=O)O1)C(O)=CC=C2","spectrum_id":"CCMSLIB00000848613","spectrum_index":2282},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381254-01!(3Z)-3-[(4-hydroxyphenyl)methylidene]-2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione","exact_mass":272.116,"inchikey":"MWYWLNKQGPLWRM-LCYFTJDESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.121582,"smiles":"CN1C(=O)C2CCCN2C(=O)\\C1=C\\C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000848614","spectrum_index":2283},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381254-01!(3Z)-3-[(4-hydroxyphenyl)methylidene]-2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione","exact_mass":272.116,"inchikey":"MWYWLNKQGPLWRM-LCYFTJDESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":290.158112,"smiles":"CN1C(=O)C2CCCN2C(=O)\\C1=C\\C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000848615","spectrum_index":2284},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169785-04!5-[(3R,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole","exact_mass":354.11,"inchikey":"PEYUIKBAABKQKQ-WZBLMQSHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":372.141571,"smiles":"C1OC2=C(O1)C=C(C=C2)[C@H]3OC[C@H]4[C@@H]3CO[C@H]4C5=CC6=C(OCO6)C=C5","spectrum_id":"CCMSLIB00000848616","spectrum_index":2285},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381250-01!5-[12-(3,5-dihydroxyphenyl)dodecyl]benzene-1,3-diol","exact_mass":386.246,"inchikey":"VYPCAWOZVBHAHD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.251007,"smiles":"OC1=CC(CCCCCCCCCCCCC2=CC(O)=CC(O)=C2)=CC(O)=C1","spectrum_id":"CCMSLIB00000848617","spectrum_index":2286},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385119-01![8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate","exact_mass":428.184,"inchikey":"HQKAYCHMYMSSEQ-AUWJEWJLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":446.214539,"smiles":"C\\C=C(\\C)C(=O)OC1C(OC2=CC=C3C=CC(=O)OC3=C12)C(C)(C)OC(=O)CC(C)C","spectrum_id":"CCMSLIB00000848618","spectrum_index":2287},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385134-01![(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate","exact_mass":636.096,"inchikey":"MACFXELYCBWKGT-VFTFQOQOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":637.098572,"smiles":"OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@@H]1O","spectrum_id":"CCMSLIB00000848619","spectrum_index":2288},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385134-01![(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate","exact_mass":636.096,"inchikey":"MACFXELYCBWKGT-VFTFQOQOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":654.125549,"smiles":"OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@@H]1O","spectrum_id":"CCMSLIB00000848620","spectrum_index":2289},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385127-01!3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":756.211,"inchikey":"IYFMBSVAOKIIHT-FENIPWANSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.211548,"smiles":"C[C@@H]1O[C@@H](OC2C(O)C(O)C(CO)OC2OC3=C(OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C4C3=O)C6=CC=C(O)C=C6)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848621","spectrum_index":2290},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385800-01!3-(6-hydroxy-7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one","exact_mass":268.167,"inchikey":"XXORJGREYJVNHF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.177155,"smiles":"CC(C)C(O)CCCCCC1OCC2=C1C(=O)OC2","spectrum_id":"CCMSLIB00000848622","spectrum_index":2291},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385805-01!7-methoxy-6-[(1R,4R,5S)-1-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-4-yl]chromen-2-one","exact_mass":288.063,"inchikey":"VIORQNDMAWQQCV-VNHYZAJKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.073151,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)[C@H]3OC(=O)[C@]4(C)O[C@@H]34","spectrum_id":"CCMSLIB00000848623","spectrum_index":2292},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385811-01!6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole","exact_mass":432.215,"inchikey":"RCFGIEPQSDGMJJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.225861,"smiles":"COCC(CC1=CC=C(OC)C(OC)=C1)C(COC)CC2=CC3=C(OCO3)C(OC)=C2","spectrum_id":"CCMSLIB00000848624","spectrum_index":2293},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385811-01!6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole","exact_mass":432.215,"inchikey":"RCFGIEPQSDGMJJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.214874,"smiles":"COCC(CC1=CC=C(OC)C(OC)=C1)C(COC)CC2=CC3=C(OCO3)C(OC)=C2","spectrum_id":"CCMSLIB00000848625","spectrum_index":2294},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385811-01!6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole","exact_mass":432.215,"inchikey":"RCFGIEPQSDGMJJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.252258,"smiles":"COCC(CC1=CC=C(OC)C(OC)=C1)C(COC)CC2=CC3=C(OCO3)C(OC)=C2","spectrum_id":"CCMSLIB00000848626","spectrum_index":2295},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180849-02!methyl 2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxofuran-2-carboxylate","exact_mass":438.168,"inchikey":"FCSKUNOKIVAIKK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.178925,"smiles":"COC(=O)C2(CC1=CC(CC=C(C)C)=C(O)C=C1)OC(=O)C(OC)=C2C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000848627","spectrum_index":2296},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180849-02!methyl 2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxofuran-2-carboxylate","exact_mass":438.168,"inchikey":"FCSKUNOKIVAIKK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.152283,"smiles":"COC(=O)C2(CC1=CC(CC=C(C)C)=C(O)C=C1)OC(=O)C(OC)=C2C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000848628","spectrum_index":2297},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180849-02!methyl 2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxofuran-2-carboxylate","exact_mass":438.168,"inchikey":"FCSKUNOKIVAIKK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":456.204742,"smiles":"COC(=O)C2(CC1=CC(CC=C(C)C)=C(O)C=C1)OC(=O)C(OC)=C2C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000848629","spectrum_index":2298},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381093-01!(2S,3S)-2-[(2S,4R,5R,6R)-4-[(4R,5S,6R)-4-[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-methoxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one","exact_mass":1098.49,"inchikey":"GRZRQKSQIMICPO-RSCYJRMKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1099.501953,"smiles":"CO[C@@H]([C@@H]1CC2=CC3=CC(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](OC)[C@@H](C)O4)=C(C)C(O)=C3C(O)=C2C(=O)[C@H]1O[C@H]6C[C@@H](OC7C[C@@H](O[C@H]8C[C@](C)(O)[C@H](O)[C@@H](C)O8)[C@@H](O)[C@@H](C)O7)[C@H](O)[C@@H](C)O6)C(=O)[C@@H](O)[C@@H](C)O","spectrum_id":"CCMSLIB00000848630","spectrum_index":2299},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381097-01![(2R,3R,4S,6S)-6-[(2R,3S,4R)-6-[(2R,3R,4R,6S)-6-[[(2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-methoxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate","exact_mass":1140.5,"inchikey":"DWKUSIQEYCEKNA-PGYZNXCJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1141.515259,"smiles":"CO[C@@H]([C@@H]1CC2=CC3=CC(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](OC)[C@@H](C)O4)=C(C)C(O)=C3C(O)=C2C(=O)[C@H]1O[C@H]6C[C@@H](OC7C[C@@H](O[C@H]8C[C@](C)(O)[C@H](OC(C)=O)[C@@H](C)O8)[C@@H](O)[C@@H](C)O7)[C@H](O)[C@@H](C)O6)C(=O)[C@@H](O)[C@@H](C)O","spectrum_id":"CCMSLIB00000848631","spectrum_index":2300},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381094-01![(2R,3R,4R,6S)-6-[[(6S,7S)-6-[(2S,4R,5R,6R)-4-[(4R,5S,6R)-4-[(2S,4S,5R,6R)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-[(2S,4R,5S,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate","exact_mass":1182.51,"inchikey":"ZYVSOIYQKUDENJ-YVQLHGKOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1183.523804,"smiles":"CO[C@@H]([C@@H]1CC2=CC3=CC(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](OC)[C@@H](C)O5)[C@H](OC(C)=O)[C@@H](C)O4)=C(C)C(O)=C3C(O)=C2C(=O)[C@H]1O[C@H]6C[C@@H](OC7C[C@@H](O[C@H]8C[C@](C)(O)[C@H](OC(C)=O)[C@@H](C)O8)[C@@H](O)[C@@H](C)O7)[C@H](O)[C@@H](C)O6)C(=O)[C@@H](O)[C@@H](C)O","spectrum_id":"CCMSLIB00000848632","spectrum_index":2301},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381096-01![(2R,3R,4S,6S)-6-[(2R,3S,4R)-6-[(2R,3R,4R,6S)-6-[[(2S,3S)-6-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-5-acetyloxy-4-hydroxy-6-methyloxan-2-yl]oxy-5-methoxy-6-methyloxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate","exact_mass":1210.54,"inchikey":"ARRRKSYGKYIGBH-KABRLWMDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1211.557373,"smiles":"CO[C@@H]([C@@H]1CC2=CC3=CC(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](OC(C)=O)[C@@H](C)O5)[C@H](OC)[C@@H](C)O4)=C(C)C(O)=C3C(O)=C2C(=O)[C@H]1O[C@H]6C[C@@H](OC7C[C@@H](O[C@H]8C[C@](C)(O)[C@H](OC(=O)C(C)C)[C@@H](C)O8)[C@@H](O)[C@@H](C)O7)[C@H](O)[C@@H](C)O6)C(=O)[C@@H](O)[C@@H](C)O","spectrum_id":"CCMSLIB00000848633","spectrum_index":2302},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169121-02!(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid","exact_mass":354.095,"inchikey":"CWVRJTMFETXNAD-NXLLHMKUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.102692,"smiles":"O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)[C@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000848634","spectrum_index":2303},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00013053-07!3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one","exact_mass":420.157,"inchikey":"GHCZYXUOYFOXIP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.164673,"smiles":"CC(C)=CCC1=C(O)C2=C(OC=C(C2=O)C3=CC(O)=C(O)C=C3)C4=C1OC(C)(C)C=C4","spectrum_id":"CCMSLIB00000848635","spectrum_index":2304},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385223-01!(2R,3S)-7-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5-diol","exact_mass":422.121,"inchikey":"OZEIRJMOKXRLCR-AXDKOMKPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.128784,"smiles":"OC[C@@]1(O)CO[C@@H](OC2=CC(O)=C3C[C@H](O)[C@H](OC3=C2)C4=CC(O)=C(O)C=C4)[C@@H]1O","spectrum_id":"CCMSLIB00000848636","spectrum_index":2305},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169746-02!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid","exact_mass":446.085,"inchikey":"JBFOLLJCGUCDQP-ZFORQUDYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.092041,"smiles":"O[C@H]1[C@H](OC2=CC3=C(C(=O)C=C(O3)C4=CC=C(O)C=C4)C(O)=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000848637","spectrum_index":2306},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385264-01![4,5-dihydroxy-6-methyl-2-[(1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl)oxy]oxan-3-yl] (E)-3-methylpent-2-enoate","exact_mass":464.314,"inchikey":"UQUYXFBISSCISA-BUHFOSPRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.310669,"smiles":"CC\\C(C)=C\\C(=O)OC1C(O)C(O)C(C)OC1OC2(C)CCC3C(C4C(C)CCC24)C3(C)C","spectrum_id":"CCMSLIB00000848638","spectrum_index":2307},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385228-01!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(2-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid","exact_mass":476.095,"inchikey":"KZMZTZKFLKRTMB-QSUZLTIMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":477.102814,"smiles":"COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C3OC(=CC(=O)C3=C1O)C4=C(O)C=CC=C4","spectrum_id":"CCMSLIB00000848639","spectrum_index":2308},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168839-02!(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","exact_mass":480.309,"inchikey":"NKDFYOWSKOHCCO-MQMWGCQISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.316284,"smiles":"CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00000848640","spectrum_index":2309},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168839-02!(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","exact_mass":480.309,"inchikey":"NKDFYOWSKOHCCO-MQMWGCQISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.304077,"smiles":"CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00000848641","spectrum_index":2310},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385260-01![(2S,3R,4S,5R,6R)-2-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":1064.3,"inchikey":"OUYDFTJZSVOQJE-QQXREOSWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1065.307007,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](OC3=C(OC4=CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5OC(=O)\\C=C\\C7=CC=C(O)C=C7)=CC(O)=C4C3=O)C8=CC=C(O)C=C8)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848642","spectrum_index":2311},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385423-01!4-(2-hydroxy-3-methylbut-3-enoxy)-9-methoxyfuro[3,2-g]chromen-7-one","exact_mass":316.095,"inchikey":"FEOYRZYUONWQSO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.102661,"smiles":"COC1=C2OC(=O)C=CC2=C(OCC(O)C(C)=C)C3=C1OC=C3","spectrum_id":"CCMSLIB00000848643","spectrum_index":2312},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385423-01!4-(2-hydroxy-3-methylbut-3-enoxy)-9-methoxyfuro[3,2-g]chromen-7-one","exact_mass":316.095,"inchikey":"FEOYRZYUONWQSO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":334.129333,"smiles":"COC1=C2OC(=O)C=CC2=C(OCC(O)C(C)=C)C3=C1OC=C3","spectrum_id":"CCMSLIB00000848644","spectrum_index":2313},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169633-02!9-phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one","exact_mass":342.183,"inchikey":"OOGZWXIAHJKVAH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.191315,"smiles":"OC1=CC(O)=C(C(=O)CCCCCCCCC2=CC=CC=C2)C(O)=C1","spectrum_id":"CCMSLIB00000848645","spectrum_index":2314},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347593-02!2-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one","exact_mass":344.235,"inchikey":"DKOXVDVXOYHFHV-JTCWOHKRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.243164,"smiles":"CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC12OC1C(O)C(C)=CC2=O","spectrum_id":"CCMSLIB00000848646","spectrum_index":2315},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347593-02!2-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one","exact_mass":344.235,"inchikey":"DKOXVDVXOYHFHV-JTCWOHKRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.269958,"smiles":"CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC12OC1C(O)C(C)=CC2=O","spectrum_id":"CCMSLIB00000848647","spectrum_index":2316},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347401-02!(E)-1-[2,4-dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylprop-2-en-1-one","exact_mass":376.131,"inchikey":"IVKGLRZLTNXWKF-VAWYXSNFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.139435,"smiles":"COC1=CC(O)=C(CC2=CC=CC=C2O)C(O)=C1C(=O)\\C=C\\C3=CC=CC=C3","spectrum_id":"CCMSLIB00000848648","spectrum_index":2317},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385446-01![(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aR)-4-ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate","exact_mass":602.164,"inchikey":"UZYZCCWBBBCDAD-WCYQFIIKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":585.161682,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC[C@@]3(O)[C@H]2C=C)[C@H](OC(=O)C4=C(C=C(O)C=C4O)C5=CC(O)=CC=C5)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848649","spectrum_index":2318},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385416-01!bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-(2-methylpropyl)butanedioate","exact_mass":726.274,"inchikey":"GQNUDXCKVPLQBI-KIQVUASESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":744.308472,"smiles":"CC(C)C[C@@](O)(CC(=O)OCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1)C(=O)OCC3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3","spectrum_id":"CCMSLIB00000848650","spectrum_index":2319},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180099-02!methyl 2-[(3-formamido-2-hydroxybenzoyl)amino]-3-hydroxybutanoate","exact_mass":296.101,"inchikey":"FKDSAXOHMLWBNA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.106018,"smiles":"COC(=O)C(NC(=O)C1=C(O)C(NC=O)=CC=C1)C(C)O","spectrum_id":"CCMSLIB00000848651","spectrum_index":2320},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180099-02!methyl 2-[(3-formamido-2-hydroxybenzoyl)amino]-3-hydroxybutanoate","exact_mass":296.101,"inchikey":"FKDSAXOHMLWBNA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.088196,"smiles":"COC(=O)C(NC(=O)C1=C(O)C(NC=O)=CC=C1)C(C)O","spectrum_id":"CCMSLIB00000848652","spectrum_index":2321},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015870-35!2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one","exact_mass":302.043,"inchikey":"REFJWTPEDVJJIY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.047516,"smiles":"OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000848653","spectrum_index":2322},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169310-03!3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one","exact_mass":352.189,"inchikey":"ZMOXNUGOJSHBRR-VOTSOKGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.193054,"smiles":"CCC(C)C(O)C(C)(O)\\C=C\\C1=CC2=CC(=O)C(C)(O)C(O)C2CO1","spectrum_id":"CCMSLIB00000848654","spectrum_index":2323},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180834-02!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","exact_mass":432.106,"inchikey":"SOSLMHZOJATCCP-AEIZVZFYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.109497,"smiles":"C[C@@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C4=CC=C(O)C=C4)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848655","spectrum_index":2324},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381275-01!(2,5-dibenzoyloxy-1,6-dihydroxycyclohex-3-en-1-yl)methyl benzoate","exact_mass":488.147,"inchikey":"UEYWXBQABUNMMN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.151093,"smiles":"OC1C(OC(=O)C2=CC=CC=C2)C=CC(OC(=O)C3=CC=CC=C3)C1(O)COC(=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000848656","spectrum_index":2325},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381275-01!(2,5-dibenzoyloxy-1,6-dihydroxycyclohex-3-en-1-yl)methyl benzoate","exact_mass":488.147,"inchikey":"UEYWXBQABUNMMN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.14035,"smiles":"OC1C(OC(=O)C2=CC=CC=C2)C=CC(OC(=O)C3=CC=CC=C3)C1(O)COC(=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000848657","spectrum_index":2326},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381275-01!(2,5-dibenzoyloxy-1,6-dihydroxycyclohex-3-en-1-yl)methyl benzoate","exact_mass":488.147,"inchikey":"UEYWXBQABUNMMN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":506.176941,"smiles":"OC1C(OC(=O)C2=CC=CC=C2)C=CC(OC(=O)C3=CC=CC=C3)C1(O)COC(=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000848658","spectrum_index":2327},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385154-01!4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one","exact_mass":598.19,"inchikey":"WHICJDPSYBJDEN-NQXQTLPHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":599.191772,"smiles":"CC(C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(O)COC3=C4C=CC(=O)OC4=CC5=C3C=CO5","spectrum_id":"CCMSLIB00000848662","spectrum_index":2328},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385154-01!4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one","exact_mass":598.19,"inchikey":"WHICJDPSYBJDEN-NQXQTLPHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":616.21759,"smiles":"CC(C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(O)COC3=C4C=CC(=O)OC4=CC5=C3C=CO5","spectrum_id":"CCMSLIB00000848663","spectrum_index":2329},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180639-02!2-[[4-[4-(2,4-dimethoxy-6-methylbenzoyl)oxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxy-2-hydroxy-6-methylbenzoyl]amino]propanoic acid","exact_mass":729.227,"inchikey":"URBFANMWRODMRT-QQBJTHHXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":730.227539,"smiles":"COC1=CC(OC)=C(C(=O)OC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(C(=O)OC4=CC(O)=C(C(=O)NC(C)C(O)=O)C(C)=C4)C(C)=C2)C(C)=C1","spectrum_id":"CCMSLIB00000848666","spectrum_index":2330},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180639-02!2-[[4-[4-(2,4-dimethoxy-6-methylbenzoyl)oxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxy-2-hydroxy-6-methylbenzoyl]amino]propanoic acid","exact_mass":729.227,"inchikey":"URBFANMWRODMRT-QQBJTHHXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":747.252625,"smiles":"COC1=CC(OC)=C(C(=O)OC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(C(=O)OC4=CC(O)=C(C(=O)NC(C)C(O)=O)C(C)=C4)C(C)=C2)C(C)=C1","spectrum_id":"CCMSLIB00000848667","spectrum_index":2331},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385112-01!2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one","exact_mass":756.211,"inchikey":"HKNBJSRIYRDSLB-MAWNCODISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.211121,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC(O)=C(O)C=C5)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848668","spectrum_index":2332},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170014-03!(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide","exact_mass":306.158,"inchikey":"ZVMGKOAHBAIHLO-SOFGYWHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.166779,"smiles":"COC1=C(O)C=CC(\\C=C\\C(=O)NCCCCNC(C)=O)=C1","spectrum_id":"CCMSLIB00000848669","spectrum_index":2333},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170014-03!(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide","exact_mass":306.158,"inchikey":"ZVMGKOAHBAIHLO-SOFGYWHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.148651,"smiles":"COC1=C(O)C=CC(\\C=C\\C(=O)NCCCCNC(C)=O)=C1","spectrum_id":"CCMSLIB00000848670","spectrum_index":2334},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380422-01!4-methoxy-6-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-1,3-benzodioxole","exact_mass":340.167,"inchikey":"UOUFYEQUUCSLPP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.176483,"smiles":"COC1=CC(CCC2=CC=C(OCC=C(C)C)C=C2)=CC3=C1OCO3","spectrum_id":"CCMSLIB00000848671","spectrum_index":2335},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380422-01!4-methoxy-6-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-1,3-benzodioxole","exact_mass":340.167,"inchikey":"UOUFYEQUUCSLPP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":358.203674,"smiles":"COC1=CC(CCC2=CC=C(OCC=C(C)C)C=C2)=CC3=C1OCO3","spectrum_id":"CCMSLIB00000848672","spectrum_index":2336},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380487-01!7,9-dimethoxy-6-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one","exact_mass":356.09,"inchikey":"LWUQVHKGVXRUPD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.098602,"smiles":"COC1=CC=C(C=C1)C2=C(OC)C(=O)C3=C(OC)C4=C(OCO4)C=C3O2","spectrum_id":"CCMSLIB00000848673","spectrum_index":2337},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347498-02!4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid","exact_mass":369.142,"inchikey":"DNDACVRMGDHDQY-QWRGUYRKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":370.151459,"smiles":"C[C@H](O)C(O)([C@H](C)O)C(=O)OCC1=CC=CC=C1NC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00000848674","spectrum_index":2338},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347498-02!4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid","exact_mass":369.142,"inchikey":"DNDACVRMGDHDQY-QWRGUYRKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":352.140259,"smiles":"C[C@H](O)C(O)([C@H](C)O)C(=O)OCC1=CC=CC=C1NC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00000848675","spectrum_index":2339},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380423-01!2-(hydroxymethyl)-5-(2-oxopropyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":410.121,"inchikey":"QIMCRYYCUHMHMQ-IQZDNPOKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.130524,"smiles":"CC(=O)CC1=C2C(=O)C=C(CO)OC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C1","spectrum_id":"CCMSLIB00000848676","spectrum_index":2340},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380421-01![3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 4-hydroxy-3,5-dimethoxybenzoate","exact_mass":482.142,"inchikey":"SFLVCICJLIKJKU-QKYBYQKWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":500.179108,"smiles":"COC1=CC(=CC(OC)=C1O)C(=O)OCC2=CC(O)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2","spectrum_id":"CCMSLIB00000848677","spectrum_index":2341},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386052-01!","exact_mass":368.09,"inchikey":"RYFFZJHGQCKWMV-UDRWWJRQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.099304,"smiles":"C[C@]12CCCC(O1)C3=C(O)C4=C(C=C3O2)C(=O)C5=CC(O)=CC(O)=C5C4=O","spectrum_id":"CCMSLIB00000848678","spectrum_index":2342},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169451-02!6-[(2E,4E,6E)-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,4,6-trien-2-yl]-4-methoxy-5-methylpyran-2-one","exact_mass":386.209,"inchikey":"LRRJYOPCACBLEA-OIUIQZGASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.218597,"smiles":"COC1=CC(=O)OC(\\C(C)=C\\C(C)=C\\C(C)=C\\C2(C)OC(C)C3(C)OC23)=C1C","spectrum_id":"CCMSLIB00000848679","spectrum_index":2343},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169451-02!6-[(2E,4E,6E)-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,4,6-trien-2-yl]-4-methoxy-5-methylpyran-2-one","exact_mass":386.209,"inchikey":"LRRJYOPCACBLEA-OIUIQZGASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.208008,"smiles":"COC1=CC(=O)OC(\\C(C)=C\\C(C)=C\\C(C)=C\\C2(C)OC(C)C3(C)OC23)=C1C","spectrum_id":"CCMSLIB00000848680","spectrum_index":2344},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347865-02!4-[7-acetyloxy-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]-5-amino-5-oxopentanoic acid","exact_mass":518.182,"inchikey":"QARZACKHGQBZLP-XHBXSBNISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.191162,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1C(CCC(O)=O)C(N)=O","spectrum_id":"CCMSLIB00000848681","spectrum_index":2345},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386096-01!(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid","exact_mass":539.309,"inchikey":"RSNBAEGFNZIXPM-VDKFNAMPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.318176,"smiles":"COC(\\C=C\\CC\\C=C\\C(=O)OC)C(O)C(C)C(O)C(\\C)=C\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00000848682","spectrum_index":2346},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386096-01!(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid","exact_mass":539.309,"inchikey":"RSNBAEGFNZIXPM-VDKFNAMPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.3078,"smiles":"COC(\\C=C\\CC\\C=C\\C(=O)OC)C(O)C(C)C(O)C(\\C)=C\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00000848683","spectrum_index":2347},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386096-01!(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid","exact_mass":539.309,"inchikey":"RSNBAEGFNZIXPM-VDKFNAMPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":562.299561,"smiles":"COC(\\C=C\\CC\\C=C\\C(=O)OC)C(O)C(C)C(O)C(\\C)=C\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00000848684","spectrum_index":2348},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386054-01!5-(10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol","exact_mass":562.22,"inchikey":"WPGPKDAIJINNNL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.218872,"smiles":"COC1=CC(OC)=C2C(O)=C3COC(C)CC3=C(C2=C1)C4=C5C(O)C(C)OCC5=C(O)C6=C(OC)C=C(OC)C=C46","spectrum_id":"CCMSLIB00000848685","spectrum_index":2349},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386091-01!2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate","exact_mass":780.414,"inchikey":"OXQSHEREUUUCEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":781.421692,"smiles":"CCC(C)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)C)C(C)CC)C(C)CC)C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000848686","spectrum_index":2350},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386091-01!2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate","exact_mass":780.414,"inchikey":"OXQSHEREUUUCEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":763.411926,"smiles":"CCC(C)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)C)C(C)CC)C(C)CC)C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000848687","spectrum_index":2351},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386091-01!2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate","exact_mass":780.414,"inchikey":"OXQSHEREUUUCEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":798.448669,"smiles":"CCC(C)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)C)C(C)CC)C(C)CC)C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000848688","spectrum_index":2352},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386091-01!2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate","exact_mass":780.414,"inchikey":"OXQSHEREUUUCEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":803.403015,"smiles":"CCC(C)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)C)C(C)CC)C(C)CC)C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000848689","spectrum_index":2353},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386091-01!2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate","exact_mass":780.414,"inchikey":"OXQSHEREUUUCEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":822.442749,"smiles":"CCC(C)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)C)C(C)CC)C(C)CC)C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00000848690","spectrum_index":2354},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247535-02!4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one","exact_mass":300.1,"inchikey":"BMLZFLQMBMYVHG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.10733,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC=C(C)C)C3=C1C=CO3","spectrum_id":"CCMSLIB00000848691","spectrum_index":2355},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247535-02!4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one","exact_mass":300.1,"inchikey":"BMLZFLQMBMYVHG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.134003,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC=C(C)C)C3=C1C=CO3","spectrum_id":"CCMSLIB00000848692","spectrum_index":2356},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180750-02!(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one","exact_mass":304.058,"inchikey":"CXQWRCVTCMQVQX-LSDHHAIUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.065918,"smiles":"O[C@@H]1[C@H](OC2=C(C1=O)C(O)=CC(O)=C2)C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000848693","spectrum_index":2357},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163517-02!(2S)-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one","exact_mass":338.152,"inchikey":"VOCGSQHKPZSIKB-FQEVSTJZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.159607,"smiles":"COC1=C(CC=C(C)C)C=C2C(=O)C[C@H](OC2=C1)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000848694","spectrum_index":2358},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385336-01!(6aR,12aR)-12a-hydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one","exact_mass":358.105,"inchikey":"APAWOEBSLLGWDF-IEBWSBKVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.102722,"smiles":"COC1=CC=C2C(=O)[C@]3(O)[C@@H](COC4=C3C=C(OC)C(OC)=C4)OC2=C1","spectrum_id":"CCMSLIB00000848695","spectrum_index":2359},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385336-01!(6aR,12aR)-12a-hydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one","exact_mass":358.105,"inchikey":"APAWOEBSLLGWDF-IEBWSBKVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.138367,"smiles":"COC1=CC=C2C(=O)[C@]3(O)[C@@H](COC4=C3C=C(OC)C(OC)=C4)OC2=C1","spectrum_id":"CCMSLIB00000848696","spectrum_index":2360},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347602-02!1,3,7-trihydroxy-6-methoxy-4,5-bis(3-methylbut-2-enyl)xanthen-9-one","exact_mass":410.173,"inchikey":"CJBZJZGULKATPY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.180634,"smiles":"COC1=C(O)C=C2C(=O)C3=C(O)C=C(O)C(CC=C(C)C)=C3OC2=C1CC=C(C)C","spectrum_id":"CCMSLIB00000848697","spectrum_index":2361},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169705-02!(2R)-8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":542.121,"inchikey":"MXEIKUWMKSYEII-XRHWURSXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.127808,"smiles":"OC1=CC=C(C=C1)[C@H]2CC(=O)C3=C(O2)C([C@H]4[C@@H](OC5=C(C4=O)C(O)=CC(O)=C5)C6=CC=C(O)C=C6)=C(O)C=C3O","spectrum_id":"CCMSLIB00000848698","spectrum_index":2362},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385337-01!2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":594.158,"inchikey":"MGYBYJXAXUBTQF-FOBVWLSUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.165283,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC(O)=C4C(=O)C=C(OC4=C3)C5=CC(O)=C(O)C=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848699","spectrum_index":2363},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386002-01!4-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol","exact_mass":274.121,"inchikey":"BMSPEISBKGSBTR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.13205,"smiles":"COC1=CC(O)=CC(CCC2=CC(OC)=C(O)C=C2)=C1","spectrum_id":"CCMSLIB00000848700","spectrum_index":2364},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381298-02!8-(2-hydroxy-1-methoxy-3-methylbut-3-enyl)-7-methoxychromen-2-one","exact_mass":290.115,"inchikey":"DBPWCIPDCMVUFT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.154083,"smiles":"COC(C(O)C(C)=C)C1=C2OC(=O)C=CC2=CC=C1OC","spectrum_id":"CCMSLIB00000848701","spectrum_index":2365},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386000-01!3-pentadecylbenzene-1,2-diol","exact_mass":320.272,"inchikey":"DQTMTQZSOJMZSF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.314209,"smiles":"CCCCCCCCCCCCCCCC1=C(O)C(O)=CC=C1","spectrum_id":"CCMSLIB00000848703","spectrum_index":2366},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385945-01!1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-dimethyl-3,4-dihydro-1H-naphthalene-2,7-diol","exact_mass":344.162,"inchikey":"XQAQIFDOJYUBEV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.163879,"smiles":"COC1=C(O)C=CC(=C1)C2C3=CC(O)=C(OC)C=C3CC(C)C2(C)O","spectrum_id":"CCMSLIB00000848704","spectrum_index":2367},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385945-01!1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-dimethyl-3,4-dihydro-1H-naphthalene-2,7-diol","exact_mass":344.162,"inchikey":"XQAQIFDOJYUBEV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.201721,"smiles":"COC1=C(O)C=CC(=C1)C2C3=CC(O)=C(OC)C=C3CC(C)C2(C)O","spectrum_id":"CCMSLIB00000848705","spectrum_index":2368},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00270979-03![6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate","exact_mass":442.236,"inchikey":"RIPKCRCUFJSKKD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.242157,"smiles":"CC(=O)OC1CCC2(C)C(COC3=CC=C4C=CC(=O)OC4=C3)C(C)(O)CCC2C1(C)C","spectrum_id":"CCMSLIB00000848706","spectrum_index":2369},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00270979-03![6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate","exact_mass":442.236,"inchikey":"RIPKCRCUFJSKKD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.231689,"smiles":"CC(=O)OC1CCC2(C)C(COC3=CC=C4C=CC(=O)OC4=C3)C(C)(O)CCC2C1(C)C","spectrum_id":"CCMSLIB00000848707","spectrum_index":2370},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00270979-03![6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate","exact_mass":442.236,"inchikey":"RIPKCRCUFJSKKD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":460.267914,"smiles":"CC(=O)OC1CCC2(C)C(COC3=CC=C4C=CC(=O)OC4=C3)C(C)(O)CCC2C1(C)C","spectrum_id":"CCMSLIB00000848708","spectrum_index":2371},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385598-01!(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":466.111,"inchikey":"FVQOMEDMFUMIMO-UTZHSPHRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":467.117462,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2[C@H](OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848712","spectrum_index":2372},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385598-01!(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":466.111,"inchikey":"FVQOMEDMFUMIMO-UTZHSPHRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":484.143372,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2[C@H](OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848713","spectrum_index":2373},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385598-01!(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":466.111,"inchikey":"FVQOMEDMFUMIMO-UTZHSPHRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.099091,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2[C@H](OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848714","spectrum_index":2374},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381325-01![3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate","exact_mass":478.111,"inchikey":"LWOXGQKLDYQLMZ-ZZXKWVIFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":496.142487,"smiles":"OC1C(COC(=O)\\C=C\\C2=CC=C(O)C=C2)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C1O","spectrum_id":"CCMSLIB00000848715","spectrum_index":2375},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385587-01![3-hydroxy-3-[(4-hydroxyphenyl)methyl]-4-oxo-4-[[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]butan-2-yl] 3-acetyloxy-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanoate","exact_mass":744.263,"inchikey":"WUGDTLGNIVJAFV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":727.256226,"smiles":"CC(OC(C)=O)C(O)(CC1=CC=C(O)C=C1)C(=O)OC(C)C(O)(CC2=CC=C(O)C=C2)C(=O)OCC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3","spectrum_id":"CCMSLIB00000848716","spectrum_index":2376},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385587-01![3-hydroxy-3-[(4-hydroxyphenyl)methyl]-4-oxo-4-[[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]butan-2-yl] 3-acetyloxy-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanoate","exact_mass":744.263,"inchikey":"WUGDTLGNIVJAFV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":762.294678,"smiles":"CC(OC(C)=O)C(O)(CC1=CC=C(O)C=C1)C(=O)OC(C)C(O)(CC2=CC=C(O)C=C2)C(=O)OCC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3","spectrum_id":"CCMSLIB00000848717","spectrum_index":2377},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385582-01!","exact_mass":1110.58,"inchikey":"MTTKHXWBJPJKFK-BVIRMROOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1093.56897,"smiles":"CC(CCC(OC1OCC(O)C(O)C1O)C(C)(C)OC2OC(CO)C(O)C(O)C2O)C3CC[C@@]4(C)C5C(O)CC6[C@]7(C[C@@]57CC[C@]34C)C(O)CC(OC8OC(CO)C(OC9OC(CO)C(O)C(O)C9O)C(O)C8O)C6(C)C","spectrum_id":"CCMSLIB00000848718","spectrum_index":2378},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385582-01!","exact_mass":1110.58,"inchikey":"MTTKHXWBJPJKFK-BVIRMROOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1128.606445,"smiles":"CC(CCC(OC1OCC(O)C(O)C1O)C(C)(C)OC2OC(CO)C(O)C(O)C2O)C3CC[C@@]4(C)C5C(O)CC6[C@]7(C[C@@]57CC[C@]34C)C(O)CC(OC8OC(CO)C(OC9OC(CO)C(O)C(O)C9O)C(O)C8O)C6(C)C","spectrum_id":"CCMSLIB00000848719","spectrum_index":2379},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384670-01!2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one","exact_mass":250.084,"inchikey":"AWCDBKHWVKLXEE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":268.119965,"smiles":"OC(C(O)C1=CC=CC=C1)C2OC(=O)C=CC2O","spectrum_id":"CCMSLIB00000848720","spectrum_index":2380},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384562-01!(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide","exact_mass":251.225,"inchikey":"BBRMJCAPNGJKEM-AQASXUMVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":252.234406,"smiles":"CCCCCCC\\C=C\\C=C\\C(=O)NCC(C)C","spectrum_id":"CCMSLIB00000848721","spectrum_index":2381},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017182-04!3-methoxy-2-phenylfuro[2,3-h]chromen-4-one","exact_mass":292.074,"inchikey":"LKPQNZRGGNOPPU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.083099,"smiles":"COC1=C(OC2=C(C=CC3=C2C=CO3)C1=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000848722","spectrum_index":2382},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015878-07!methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate","exact_mass":354.194,"inchikey":"BLGXFZZNTVWLAY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.204468,"smiles":"COC(=O)C1C(O)CCC2CN3CCC4=C(NC5=C4C=CC=C5)C3CC12","spectrum_id":"CCMSLIB00000848723","spectrum_index":2383},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384561-01![1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbutanoate","exact_mass":378.168,"inchikey":"GMMHQFAVUZIMEL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.178192,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(O)C(OC(=O)CC(C)C)C(C)(C)O","spectrum_id":"CCMSLIB00000848725","spectrum_index":2384},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384561-01![1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbutanoate","exact_mass":378.168,"inchikey":"GMMHQFAVUZIMEL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.167389,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(O)C(OC(=O)CC(C)C)C(C)(C)O","spectrum_id":"CCMSLIB00000848726","spectrum_index":2385},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169549-02!methyl 4,8-dihydroxy-6-(hydroxymethyl)-9-oxo-4,4a-dihydroxanthene-1-carboxylate","exact_mass":318.074,"inchikey":"JCHWTVUGTSYUOL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.082001,"smiles":"COC(=O)C1=C2C(OC3=C(C(O)=CC(CO)=C3)C2=O)C(O)C=C1","spectrum_id":"CCMSLIB00000848727","spectrum_index":2386},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380261-01!7-hydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":340.079,"inchikey":"MMPBHSBVPREJQC-GCJOFGIHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.087311,"smiles":"OC[C@H]1O[C@@H](OC2=C3OC(=O)C=CC3=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848728","spectrum_index":2387},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380261-01!7-hydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":340.079,"inchikey":"MMPBHSBVPREJQC-GCJOFGIHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":358.11377,"smiles":"OC[C@H]1O[C@@H](OC2=C3OC(=O)C=CC3=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848729","spectrum_index":2388},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380362-01!1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one","exact_mass":346.142,"inchikey":"NOFGKTVEZONBCG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.139343,"smiles":"OC(CCC(=O)CCC1=CC=C(O)C(O)=C1)CC2=CC(O)=C(O)C=C2","spectrum_id":"CCMSLIB00000848730","spectrum_index":2389},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380362-01!1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one","exact_mass":346.142,"inchikey":"NOFGKTVEZONBCG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.176819,"smiles":"OC(CCC(=O)CCC1=CC=C(O)C(O)=C1)CC2=CC(O)=C(O)C=C2","spectrum_id":"CCMSLIB00000848731","spectrum_index":2390},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380360-01!7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":354.095,"inchikey":"WBAVLTNIRYDCPM-YMILTQATSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.103119,"smiles":"COC1=CC2=C(C=CC(=O)O2)C=C1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000848732","spectrum_index":2391},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380360-01!7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":354.095,"inchikey":"WBAVLTNIRYDCPM-YMILTQATSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.092285,"smiles":"COC1=CC2=C(C=CC(=O)O2)C=C1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000848733","spectrum_index":2392},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380360-01!7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":354.095,"inchikey":"WBAVLTNIRYDCPM-YMILTQATSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":372.129944,"smiles":"COC1=CC2=C(C=CC(=O)O2)C=C1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000848734","spectrum_index":2393},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380363-01!8-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":386.173,"inchikey":"SDEUJZQQWGXEEM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.181396,"smiles":"COC1=CC(OC)=C2C(=O)CC(OC2=C1CC(O)C(C)(C)O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000848735","spectrum_index":2394},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380363-01!8-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":386.173,"inchikey":"SDEUJZQQWGXEEM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.169891,"smiles":"COC1=CC(OC)=C2C(=O)CC(OC2=C1CC(O)C(C)(C)O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000848736","spectrum_index":2395},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380363-01!8-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":386.173,"inchikey":"SDEUJZQQWGXEEM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.163574,"smiles":"COC1=CC(OC)=C2C(=O)CC(OC2=C1CC(O)C(C)(C)O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000848737","spectrum_index":2396},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380361-01![(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":622.241,"inchikey":"MHWAHKIDOYBXCN-FHVVLDLYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":640.275757,"smiles":"O[C@@H]1[C@@H](COC(=O)\\C=C\\C2=CC=C(O)C=C2)O[C@@H](OC(CCC3=CC=C(O)C=C3)CC(=O)CCC4=CC=C(O)C=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848738","spectrum_index":2397},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380364-01!","exact_mass":766.45,"inchikey":"RCDRNOBFNNSZNW-QSVQKMBVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":767.457214,"smiles":"CC(CCC(O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3CC[C@@]4(C)C5[C@@H](O)CC6[C@]7(C[C@@]57CC[C@]34C)C(=O)C=CC6(C)C","spectrum_id":"CCMSLIB00000848739","spectrum_index":2398},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380364-01!","exact_mass":766.45,"inchikey":"RCDRNOBFNNSZNW-QSVQKMBVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":784.485413,"smiles":"CC(CCC(O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3CC[C@@]4(C)C5[C@@H](O)CC6[C@]7(C[C@@]57CC[C@]34C)C(=O)C=CC6(C)C","spectrum_id":"CCMSLIB00000848740","spectrum_index":2399},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380432-01!2-(2-hydroxyphenyl)-4-phenylbenzene-1,3,5-triol","exact_mass":294.089,"inchikey":"UYKZGYUZJASKNB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":336.125702,"smiles":"OC1=CC(O)=C(C2=CC=CC=C2)C(O)=C1C3=C(O)C=CC=C3","spectrum_id":"CCMSLIB00000848741","spectrum_index":2400},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168898-03!4-hydroxy-7-methyl-2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-5-one","exact_mass":438.153,"inchikey":"KHWKLNXMSVVKCH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.162598,"smiles":"CC1=CC(=O)C2=C(O1)C=C3OC(CC3=C2O)C(C)(C)OC4OC(CO)C(O)C(O)C4O","spectrum_id":"CCMSLIB00000848742","spectrum_index":2401},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169854-03!4,4-bis(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybutanoic acid","exact_mass":498.116,"inchikey":"DYFXVIVUWANJGN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.126648,"smiles":"COC(CC(C1=C(O)C2=C(C=C(C)OC2=O)C=C1O)C3=C(O)C4=C(C=C(C)OC4=O)C=C3O)C(O)=O","spectrum_id":"CCMSLIB00000848743","spectrum_index":2402},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380485-01!4-(3,4-dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one","exact_mass":580.143,"inchikey":"XSUATNGSAZMWRU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":581.153992,"smiles":"OC1COC(OCC2OC(OC3=C4C(OC(=O)C=C4C5=CC=C(O)C(O)=C5)=CC(O)=C3)C(O)C(O)C2O)C(O)C1O","spectrum_id":"CCMSLIB00000848744","spectrum_index":2403},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380485-01!4-(3,4-dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one","exact_mass":580.143,"inchikey":"XSUATNGSAZMWRU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":598.181458,"smiles":"OC1COC(OCC2OC(OC3=C4C(OC(=O)C=C4C5=CC=C(O)C(O)=C5)=CC(O)=C3)C(O)C(O)C2O)C(O)C1O","spectrum_id":"CCMSLIB00000848745","spectrum_index":2404},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384605-01!8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one","exact_mass":298.157,"inchikey":"QPMKRRUDQIKGNH-VGOFMYFVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.164673,"smiles":"CC(C)=CCC\\C(C)=C\\CC1=C2OC(=O)C=CC2=CC=C1O","spectrum_id":"CCMSLIB00000848746","spectrum_index":2405},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180738-02!(E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid","exact_mass":326.1,"inchikey":"GVRIYIMNJGULCZ-ZMKUSUEASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.13562,"smiles":"OC[C@H]1O[C@@H](OC2=C(\\C=C\\C(O)=O)C=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848747","spectrum_index":2406},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169118-03![(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate","exact_mass":388.152,"inchikey":"GVBNSPFBYXGREE-CDDDFZJFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.186554,"smiles":"CCC(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00000848748","spectrum_index":2407},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169118-03![(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate","exact_mass":388.152,"inchikey":"GVBNSPFBYXGREE-CDDDFZJFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.12323,"smiles":"CCC(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00000848749","spectrum_index":2408},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180788-02!3-(4-hydroxyphenyl)-5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":446.121,"inchikey":"KSVVGBSBNPMXJF-RECXWPGBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.129211,"smiles":"COC1=C2C(=O)C(=COC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C1)C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000848750","spectrum_index":2409},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180799-02!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","exact_mass":448.101,"inchikey":"OXGUCUVFOIWWQJ-HQBVPOQASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.10907,"smiles":"C[C@@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C4=CC(O)=C(O)C=C4)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848751","spectrum_index":2410},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380239-01!16-hydroxy-4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one","exact_mass":490.366,"inchikey":"PUCLKHYBLVYMRK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":473.363556,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1=C2CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1O","spectrum_id":"CCMSLIB00000848752","spectrum_index":2411},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380239-01!16-hydroxy-4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one","exact_mass":490.366,"inchikey":"PUCLKHYBLVYMRK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":513.357605,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1=C2CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1O","spectrum_id":"CCMSLIB00000848753","spectrum_index":2412},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180847-02!(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,8R,10R,12R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":1078.59,"inchikey":"JDCPEKQWFDWQLI-SOLAFZCXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1079.602051,"smiles":"CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C6CC[C@@]45C","spectrum_id":"CCMSLIB00000848754","spectrum_index":2413},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380326-01!(E)-5-hydroxyundec-2-enoic acid","exact_mass":200.141,"inchikey":"MWMIRIBJWGECFI-RMKNXTFCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":242.175858,"smiles":"CCCCCCC(O)C\\C=C\\C(O)=O","spectrum_id":"CCMSLIB00000848755","spectrum_index":2414},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380330-01!2-(6-methyl-7-oxooctyl)-2H-furan-5-one","exact_mass":224.141,"inchikey":"MSOHKYKACHEERC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":225.149185,"smiles":"CC(CCCCCC1OC(=O)C=C1)C(C)=O","spectrum_id":"CCMSLIB00000848756","spectrum_index":2415},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380331-01!methyl 11-hydroxy-10-methyl-4-oxododecanoate","exact_mass":258.183,"inchikey":"PVSIWGFKCZWYGE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.191101,"smiles":"COC(=O)CCC(=O)CCCCCC(C)C(C)O","spectrum_id":"CCMSLIB00000848758","spectrum_index":2416},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380331-01!methyl 11-hydroxy-10-methyl-4-oxododecanoate","exact_mass":258.183,"inchikey":"PVSIWGFKCZWYGE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.218018,"smiles":"COC(=O)CCC(=O)CCCCCC(C)C(C)O","spectrum_id":"CCMSLIB00000848759","spectrum_index":2417},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347727-02!4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one","exact_mass":322.142,"inchikey":"BYGXUUOADNRIED-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.15036,"smiles":"COC1(C)C(O)C(=O)C(C)=C(OC2=CC(C)=CC(O)=C2C)C1O","spectrum_id":"CCMSLIB00000848760","spectrum_index":2418},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380252-01!methyl 2-(9,10a-dihydroxy-4a-methoxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate","exact_mass":364.116,"inchikey":"QYARGOCFMSDSQR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.123199,"smiles":"COC(=O)CC1CC2(OC)C(=O)C3=CC=CC(O)=C3C(=O)C2(O)C(C)O1","spectrum_id":"CCMSLIB00000848761","spectrum_index":2419},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380252-01!methyl 2-(9,10a-dihydroxy-4a-methoxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate","exact_mass":364.116,"inchikey":"QYARGOCFMSDSQR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":382.14975,"smiles":"COC(=O)CC1CC2(OC)C(=O)C3=CC=CC(O)=C3C(=O)C2(O)C(C)O1","spectrum_id":"CCMSLIB00000848762","spectrum_index":2420},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380272-01!5,8-dihydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","exact_mass":386.085,"inchikey":"CZSKYBTXDJQXNC-ZFQONWCHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.091919,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C3OC(=O)C=CC3=C1O","spectrum_id":"CCMSLIB00000848763","spectrum_index":2421},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347633-02!7-benzyl-11,14,20-trimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone","exact_mass":669.41,"inchikey":"UCLZXGHPVJMYSQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":670.416504,"smiles":"CC(C)CC1OC(=O)C2C(C)CCN2C(=O)CCNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000848764","spectrum_index":2422},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347633-02!7-benzyl-11,14,20-trimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone","exact_mass":669.41,"inchikey":"UCLZXGHPVJMYSQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":692.399353,"smiles":"CC(C)CC1OC(=O)C2C(C)CCN2C(=O)CCNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000848765","spectrum_index":2423},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380246-01!7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":712.221,"inchikey":"VWZAZEGRFSUWHJ-WPJUDIRVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":713.227478,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)O[C@H]2OC4=CC(O)=C5C(=O)CC(OC5=C4)C6=CC=C(O)C=C6)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848766","spectrum_index":2424},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380259-01!2-[[4-[4,6-dihydroxy-3-(3-methylbut-2-enyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":804.284,"inchikey":"GQOCHCOFYNMUOJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":805.28894,"smiles":"COC1=C2C(C(O)C(OC2=CC(OC3OC(CO)C(O)C(O)C3O)=C1)C4=CC=C(O)C=C4)C5=C(O)C=C(O)C(CC=C(C)C)=C5OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000848767","spectrum_index":2425},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380259-01!2-[[4-[4,6-dihydroxy-3-(3-methylbut-2-enyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":804.284,"inchikey":"GQOCHCOFYNMUOJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":822.316284,"smiles":"COC1=C2C(C(O)C(OC2=CC(OC3OC(CO)C(O)C(O)C3O)=C1)C4=CC=C(O)C=C4)C5=C(O)C=C(O)C(CC=C(C)C)=C5OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000848768","spectrum_index":2426},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380269-01!6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-5-[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid","exact_mass":940.503,"inchikey":"LHVARDGCCWIXJA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":958.533569,"smiles":"CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)C(OC3OC4CCC5(C)C(CCC6(C)C5CC=C7C8CC(C)(C)CCC8(CCC67C)C(O)=O)C4(C)C)C(O)=O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848769","spectrum_index":2427},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381431-01!2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one","exact_mass":215.095,"inchikey":"APSZCQZJXWEGJS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.101425,"smiles":"OC1=C(C2CCCN2C1=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000848770","spectrum_index":2428},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095510-05!5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one","exact_mass":404.162,"inchikey":"DCTLJGWMHPGCOS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.168793,"smiles":"CC(C)=CCC1=C2OC(C)(C)C=CC2=C3OC=C(C(=O)C3=C1O)C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000848771","spectrum_index":2429},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347874-02!5-hydroxy-2,2,6,6-tetramethyl-4-[2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propyl]cyclohex-4-ene-1,3-dione","exact_mass":432.215,"inchikey":"JUXUXBIHGDQKND-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.21994,"smiles":"CC(C)C(C1=C(O)C=C(O)C(C(=O)C(C)C)=C1O)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O","spectrum_id":"CCMSLIB00000848772","spectrum_index":2430},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347874-02!5-hydroxy-2,2,6,6-tetramethyl-4-[2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propyl]cyclohex-4-ene-1,3-dione","exact_mass":432.215,"inchikey":"JUXUXBIHGDQKND-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.210815,"smiles":"CC(C)C(C1=C(O)C=C(O)C(C(=O)C(C)C)=C1O)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O","spectrum_id":"CCMSLIB00000848773","spectrum_index":2431},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385068-01!methyl 4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate","exact_mass":476.153,"inchikey":"DZRVGBRAMLSZDQ-HSMQXHTESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":494.186188,"smiles":"COC(=O)C1=CC=C(OC)C=C1O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000848774","spectrum_index":2432},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381435-01!13-dodecan-2-yl-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone","exact_mass":541.373,"inchikey":"PVAWVKQDYYTSIE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":542.378052,"smiles":"CCCCCCCCCCC(C)C1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00000848775","spectrum_index":2433},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381435-01!13-dodecan-2-yl-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone","exact_mass":541.373,"inchikey":"PVAWVKQDYYTSIE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.403381,"smiles":"CCCCCCCCCCC(C)C1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00000848776","spectrum_index":2434},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179918-02!5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one","exact_mass":564.148,"inchikey":"DQBVFTJNUYZVQL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.153259,"smiles":"CC1OC(OC2=CC3=C(C(=O)C(OC4OCC(O)C(O)C4O)=C(O3)C5=CC=C(O)C=C5)C(O)=C2)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848777","spectrum_index":2435},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381433-01!4-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-12-hydroxy-7-methyl-6-oxonaphtho[1,2-c]isochromene-10-carboxylic acid","exact_mass":642.195,"inchikey":"ZVUYNAQSHSSBDQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":643.199036,"smiles":"COC1C(O)C(C)OC(OC2C(OC3=CC=CC4=C(O)C=C5C(OC(=O)C6=C(C)C=CC(C(O)=O)=C56)=C34)OC(C)C(O)C2O)C1O","spectrum_id":"CCMSLIB00000848778","spectrum_index":2436},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381433-01!4-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-12-hydroxy-7-methyl-6-oxonaphtho[1,2-c]isochromene-10-carboxylic acid","exact_mass":642.195,"inchikey":"ZVUYNAQSHSSBDQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":660.224792,"smiles":"COC1C(O)C(C)OC(OC2C(OC3=CC=CC4=C(O)C=C5C(OC(=O)C6=C(C)C=CC(C(O)=O)=C56)=C34)OC(C)C(O)C2O)C1O","spectrum_id":"CCMSLIB00000848779","spectrum_index":2437},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385172-01!7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one","exact_mass":258.089,"inchikey":"YTDNHMHONBWCBV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.100403,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C3OC3C(C)=C","spectrum_id":"CCMSLIB00000848780","spectrum_index":2438},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385172-01!7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one","exact_mass":258.089,"inchikey":"YTDNHMHONBWCBV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.127136,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C3OC3C(C)=C","spectrum_id":"CCMSLIB00000848781","spectrum_index":2439},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385172-01!7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one","exact_mass":258.089,"inchikey":"YTDNHMHONBWCBV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.12793,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C3OC3C(C)=C","spectrum_id":"CCMSLIB00000848782","spectrum_index":2440},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169563-02!6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one","exact_mass":298.157,"inchikey":"INBMTJJPUABOQJ-VGOFMYFVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.168793,"smiles":"CC(C)=CCC\\C(C)=C\\CC1=C(O)C=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00000848783","spectrum_index":2441},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169563-02!6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one","exact_mass":298.157,"inchikey":"INBMTJJPUABOQJ-VGOFMYFVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.115051,"smiles":"CC(C)=CCC\\C(C)=C\\CC1=C(O)C=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00000848784","spectrum_index":2442},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385178-01!(2S,3S)-3,5,7-trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":334.069,"inchikey":"NZRLODDQFPZTPM-CVEARBPZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.081085,"smiles":"CC1=C(O)C=C2O[C@H]([C@H](O)C(=O)C2=C1O)C3=CC(O)=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000848785","spectrum_index":2443},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385176-01!7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,3-dihydroxyxanthen-9-one","exact_mass":380.162,"inchikey":"WOPKDKPJTJHLPB-OQLLNIDSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.175018,"smiles":"CC(C)=CCC\\C(C)=C\\COC1=CC=C2OC3=C(C(=O)C2=C1)C(O)=CC(O)=C3","spectrum_id":"CCMSLIB00000848786","spectrum_index":2444},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385176-01!7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,3-dihydroxyxanthen-9-one","exact_mass":380.162,"inchikey":"WOPKDKPJTJHLPB-OQLLNIDSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.1604,"smiles":"CC(C)=CCC\\C(C)=C\\COC1=CC=C2OC3=C(C(=O)C2=C1)C(O)=CC(O)=C3","spectrum_id":"CCMSLIB00000848787","spectrum_index":2445},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385173-01!3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one","exact_mass":422.173,"inchikey":"OAUIRSVJXOFAOO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.186127,"smiles":"CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OC=C(C(=O)C2=C1O)C3=CC=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000848788","spectrum_index":2446},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347371-02!methyl (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate","exact_mass":564.184,"inchikey":"QBKMGAJNGCTGFA-NVNVVJOKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":582.225159,"smiles":"COC(=O)C[C@H]1\\C(=C\\COC(=O)\\C=C\\C2=CC=CC=C2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(=O)OC","spectrum_id":"CCMSLIB00000848789","spectrum_index":2447},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385183-01!(9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid","exact_mass":862.196,"inchikey":"IPQVTOJGNYVQEO-KGFNBKMBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":880.238953,"smiles":"OC[C@H]1O[C@@H](OC2=CC=CC3=C2C(=O)C4=C(C=C(C=C4O)C(O)=O)[C@@H]3[C@@H]5C6=C(C(=O)C7=C5C=C(C=C7O)C(O)=O)C(O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)=CC=C6)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848790","spectrum_index":2448},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380746-01!1,7-bis(4-hydroxyphenyl)heptane-3,5-diol","exact_mass":316.167,"inchikey":"GZVIQGVWSNEONZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.175842,"smiles":"OC(CCC1=CC=C(O)C=C1)CC(O)CCC2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000848791","spectrum_index":2449},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169169-02![3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trimethoxybenzoate","exact_mass":374.121,"inchikey":"QRWNMJBTANFMHA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.129486,"smiles":"COC1=CC(=CC(OC)=C1OC)C(=O)OC2OC(CO)C(O)C(O)C2O","spectrum_id":"CCMSLIB00000848792","spectrum_index":2450},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169169-02![3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trimethoxybenzoate","exact_mass":374.121,"inchikey":"QRWNMJBTANFMHA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":392.155853,"smiles":"COC1=CC(=CC(OC)=C1OC)C(=O)OC2OC(CO)C(O)C(O)C2O","spectrum_id":"CCMSLIB00000848793","spectrum_index":2451},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380747-01!7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chromen-4-one","exact_mass":390.183,"inchikey":"YBJJPNXZVZRDIU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.191864,"smiles":"CC(C)=CCC1=C(O)C=CC(=C1)C2=COC3=C(CC=C(C)C)C(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00000848794","spectrum_index":2452},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180444-02!(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol","exact_mass":432.163,"inchikey":"IVRQZYXJBVMHCW-OTCFHACESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.172058,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCC3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000848795","spectrum_index":2453},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180444-02!(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol","exact_mass":432.163,"inchikey":"IVRQZYXJBVMHCW-OTCFHACESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.198181,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCC3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000848796","spectrum_index":2454},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385740-01!(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid","exact_mass":530.142,"inchikey":"KXSOUIKZMJRRKL-BQYLRUKMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":531.15155,"smiles":"COC1=C(O)C=C(\\C=C\\C(=O)O[C@H]2[C@H](O)C[C@@](O)(C[C@H]2OC(=O)\\C=C\\C3=CC(O)=C(O)C=C3)C(O)=O)C=C1","spectrum_id":"CCMSLIB00000848797","spectrum_index":2455},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384489-01!2-phenylfuro[2,3-h]chromen-4-one","exact_mass":262.063,"inchikey":"NQNOTBRHBRJKKH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.071838,"smiles":"O=C1C=C(OC2=C3C=COC3=CC=C12)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000848798","spectrum_index":2456},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180724-02!2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one","exact_mass":272.068,"inchikey":"MJBPUQUGJNAPAZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.077393,"smiles":"OC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000848799","spectrum_index":2457},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180724-02!2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one","exact_mass":272.068,"inchikey":"MJBPUQUGJNAPAZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.066422,"smiles":"OC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000848800","spectrum_index":2458},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347394-02!(2R)-5,8-dihydroxy-2-(2-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one","exact_mass":302.079,"inchikey":"NJUWLUPGDQOJCR-GFCCVEGCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.088348,"smiles":"COC1=CC(O)=C2C(=O)C[C@@H](OC2=C1O)C3=CC=CC=C3O","spectrum_id":"CCMSLIB00000848801","spectrum_index":2459},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347394-02!(2R)-5,8-dihydroxy-2-(2-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one","exact_mass":302.079,"inchikey":"NJUWLUPGDQOJCR-GFCCVEGCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.077362,"smiles":"COC1=CC(O)=C2C(=O)C[C@@H](OC2=C1O)C3=CC=CC=C3O","spectrum_id":"CCMSLIB00000848802","spectrum_index":2460},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384486-01!5,7-dihydroxy-3,6-dimethoxy-2-phenylchromen-4-one","exact_mass":314.079,"inchikey":"RVOWLPGDGHUGHV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.088348,"smiles":"COC1=C(O)C=C2OC(C3=CC=CC=C3)=C(OC)C(=O)C2=C1O","spectrum_id":"CCMSLIB00000848803","spectrum_index":2461},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384487-01!(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one","exact_mass":318.074,"inchikey":"KPCWWZLBHGSXPW-CVEARBPZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.083038,"smiles":"CC1=C(O)C=C2O[C@H]([C@H](O)C(=O)C2=C1O)C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000848804","spectrum_index":2462},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384487-01!(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one","exact_mass":318.074,"inchikey":"KPCWWZLBHGSXPW-CVEARBPZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.072296,"smiles":"CC1=C(O)C=C2O[C@H]([C@H](O)C(=O)C2=C1O)C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000848805","spectrum_index":2463},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169741-02!2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one","exact_mass":360.085,"inchikey":"BYWLLSQTJBXAPV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.093811,"smiles":"COC1=C(OC)C(O)=C2C(=O)C(OC)=C(OC2=C1)C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000848806","spectrum_index":2464},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384488-01!5,7-dihydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one","exact_mass":368.126,"inchikey":"ONLZHAOKMQJPIC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.135376,"smiles":"COC1=C(CC=C(C)C)C=C(C=C1O)C2=COC3=CC(O)=CC(O)=C3C2=O","spectrum_id":"CCMSLIB00000848807","spectrum_index":2465},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169183-02!5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,7-dimethoxychromen-4-one","exact_mass":374.1,"inchikey":"LLDTYMGZAXZDDU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.109802,"smiles":"COC1=CC2=C(C(=O)C(OC)=C(O2)C3=CC(OC)=C(OC)C(O)=C3)C(O)=C1","spectrum_id":"CCMSLIB00000848808","spectrum_index":2466},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169588-02!(3Z,5E)-4-hydroxy-6-(4-hydroxyphenyl)hexa-3,5-dien-2-one","exact_mass":204.079,"inchikey":"IWINXMWZYVGFKC-JHLWKMQHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":205.08429,"smiles":"CC(=O)\\C=C(O)\\C=C\\C1=CC=C(O)C=C1","spectrum_id":"CCMSLIB00000848809","spectrum_index":2467},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169940-02!3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","exact_mass":283.132,"inchikey":"RYFZBPVMVYTEKZ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.137543,"smiles":"O=C1NC(CC2=CNC3=C2C=CC=C3)C(=O)N4CCCC14","spectrum_id":"CCMSLIB00000848810","spectrum_index":2468},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380708-02!dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate","exact_mass":356.126,"inchikey":"OEWCQSJKSNWJTH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.130676,"smiles":"COC(=O)C1C(C(C1C2=CC=C(O)C=C2)C(=O)OC)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000848811","spectrum_index":2469},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380708-02!dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate","exact_mass":356.126,"inchikey":"OEWCQSJKSNWJTH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.15741,"smiles":"COC(=O)C1C(C(C1C2=CC=C(O)C=C2)C(=O)OC)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000848812","spectrum_index":2470},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380792-01![(5aS,6S)-2-methyl-1,3,4-trioxo-5a,6-dihydrooxepino[1,2]pyrrolo[4,5-c]pyrazin-6-yl] 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate","exact_mass":532.112,"inchikey":"APGIPIWYVRPJKL-REWPJTCUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":533.114746,"smiles":"COC1=CC=C(C=C1OC2=C(O)C=CC(C=O)=C2)C(=O)O[C@H]3C=COC=C4C=C5N([C@H]34)C(=O)C(=O)N(C)C5=O","spectrum_id":"CCMSLIB00000848815","spectrum_index":2471},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380792-01![(5aS,6S)-2-methyl-1,3,4-trioxo-5a,6-dihydrooxepino[1,2]pyrrolo[4,5-c]pyrazin-6-yl] 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate","exact_mass":532.112,"inchikey":"APGIPIWYVRPJKL-REWPJTCUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":550.141479,"smiles":"COC1=CC=C(C=C1OC2=C(O)C=CC(C=O)=C2)C(=O)O[C@H]3C=COC=C4C=C5N([C@H]34)C(=O)C(=O)N(C)C5=O","spectrum_id":"CCMSLIB00000848816","spectrum_index":2472},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384743-01!","exact_mass":295.084,"inchikey":"PHKYZFGDNGACRM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":296.092804,"smiles":"COC1=C(OC)C(O)=C2C3=C1C(=O)NC3=CC4=CC=CC=C24","spectrum_id":"CCMSLIB00000848817","spectrum_index":2473},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381275-02!(2,5-dibenzoyloxy-1,6-dihydroxycyclohex-3-en-1-yl)methyl benzoate","exact_mass":488.147,"inchikey":"UEYWXBQABUNMMN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.155823,"smiles":"OC1C(OC(=O)C2=CC=CC=C2)C=CC(OC(=O)C3=CC=CC=C3)C1(O)COC(=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000848818","spectrum_index":2474},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381275-02!(2,5-dibenzoyloxy-1,6-dihydroxycyclohex-3-en-1-yl)methyl benzoate","exact_mass":488.147,"inchikey":"UEYWXBQABUNMMN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":506.182953,"smiles":"OC1C(OC(=O)C2=CC=CC=C2)C=CC(OC(=O)C3=CC=CC=C3)C1(O)COC(=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000848819","spectrum_index":2475},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347557-02!4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol","exact_mass":508.376,"inchikey":"YRXIDKUVBPMNRA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":509.385071,"smiles":"CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C4(C)CC(O)C(O)C(C)(C)C4CC3","spectrum_id":"CCMSLIB00000848822","spectrum_index":2476},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179019-03!","exact_mass":586.278,"inchikey":"ODLCLZLDYDHRGT-GWFYQBBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":587.286865,"smiles":"CC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)C(C[C@@H](OC(C)=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C6=COC=C6)C1(C)C","spectrum_id":"CCMSLIB00000848823","spectrum_index":2477},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179019-03!","exact_mass":586.278,"inchikey":"ODLCLZLDYDHRGT-GWFYQBBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":625.255798,"smiles":"CC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)C(C[C@@H](OC(C)=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C6=COC=C6)C1(C)C","spectrum_id":"CCMSLIB00000848824","spectrum_index":2478},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384722-01!5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":610.19,"inchikey":"QUQPHWDTPGMPEX-LLHRBZKSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.198486,"smiles":"COC1=C(O)C=C(C=C1)C2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2","spectrum_id":"CCMSLIB00000848825","spectrum_index":2479},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384723-01!3-[15,21-bis(2-amino-2-oxoethyl)-3-(1-hydroxyethyl)-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]propanoic acid","exact_mass":1034.53,"inchikey":"GVLISDGZEVBRHD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1035.537231,"smiles":"CC(C)CCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(CCC(O)=O)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)N1","spectrum_id":"CCMSLIB00000848827","spectrum_index":2480},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384723-01!3-[15,21-bis(2-amino-2-oxoethyl)-3-(1-hydroxyethyl)-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]propanoic acid","exact_mass":1034.53,"inchikey":"GVLISDGZEVBRHD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1052.564941,"smiles":"CC(C)CCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(CCC(O)=O)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)N1","spectrum_id":"CCMSLIB00000848828","spectrum_index":2481},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015672-16!2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one","exact_mass":302.043,"inchikey":"YXOLAZRVSSWPPT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.050842,"smiles":"OC1=CC(O)=C(C=C1)C2=C(O)C(=O)C3=C(O2)C=C(O)C=C3O","spectrum_id":"CCMSLIB00000848829","spectrum_index":2482},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095460-07!7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol","exact_mass":302.079,"inchikey":"WZUVPPKBWHMQCE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.076294,"smiles":"OC1=CC2=C(C=C1O)C3C4=C(OCC3(O)C2)C(O)=C(O)C=C4","spectrum_id":"CCMSLIB00000848830","spectrum_index":2483},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095460-07!7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol","exact_mass":302.079,"inchikey":"WZUVPPKBWHMQCE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.11438,"smiles":"OC1=CC2=C(C=C1O)C3C4=C(OCC3(O)C2)C(O)=C(O)C=C4","spectrum_id":"CCMSLIB00000848831","spectrum_index":2484},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385672-01!(E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one","exact_mass":312.136,"inchikey":"IWGKJEFGMDTVIL-DUXPYHPUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.144348,"smiles":"OC1=CC=C(CC\\C=C\\C(=O)CCC2=CC=C(O)C(O)=C2)C=C1","spectrum_id":"CCMSLIB00000848832","spectrum_index":2485},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385672-01!(E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one","exact_mass":312.136,"inchikey":"IWGKJEFGMDTVIL-DUXPYHPUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.171387,"smiles":"OC1=CC=C(CC\\C=C\\C(=O)CCC2=CC=C(O)C(O)=C2)C=C1","spectrum_id":"CCMSLIB00000848833","spectrum_index":2486},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385213-01!7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one","exact_mass":322.121,"inchikey":"OBGPEBYHGIUFBN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.128906,"smiles":"CC(C)=CCC1=CC(=CC=C1O)C2=COC3=CC(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00000848834","spectrum_index":2487},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00160168-03!5,9,10-trihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one","exact_mass":394.142,"inchikey":"XRVLGJCHUWXTDX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.149841,"smiles":"CC(C)(C=C)C1=C2OC3=C(C=CC(O)=C3O)C(=O)C2=C(O)C4=C1OC(C)(C)C=C4","spectrum_id":"CCMSLIB00000848835","spectrum_index":2488},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169458-03!5-[(3S,8R,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one","exact_mass":530.288,"inchikey":"MYEJFUXQJGHEQK-SEXHJYIHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":531.296631,"smiles":"C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848836","spectrum_index":2489},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380881-01!4,6,8-trihydroxy-3-methyl-3,4-dihydroisochromen-1-one","exact_mass":210.053,"inchikey":"DTEMWHDWCYDLNU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":211.061172,"smiles":"CC1OC(=O)C2=C(O)C=C(O)C=C2C1O","spectrum_id":"CCMSLIB00000848837","spectrum_index":2490},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385697-01!7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxychromen-4-one","exact_mass":314.079,"inchikey":"BYNYZQQDQIQLSO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.087341,"smiles":"COC1=CC=C(C=C1O)C2=COC3=CC(O)=C(OC)C=C3C2=O","spectrum_id":"CCMSLIB00000848838","spectrum_index":2491},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380206-02!5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one","exact_mass":352.144,"inchikey":"GJRRBURMULHWIH-ZYUHXDNHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.153198,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2CO1","spectrum_id":"CCMSLIB00000848839","spectrum_index":2492},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169422-02!(2R,3S,4S,5R)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane","exact_mass":372.194,"inchikey":"JLJAVUZBHSLLJL-HCIHMXRSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.202179,"smiles":"COC1=C(OC)C=C(C=C1)[C@@H]2O[C@H]([C@@H](C)[C@@H]2C)C3=CC(OC)=C(OC)C=C3","spectrum_id":"CCMSLIB00000848841","spectrum_index":2493},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169422-02!(2R,3S,4S,5R)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane","exact_mass":372.194,"inchikey":"JLJAVUZBHSLLJL-HCIHMXRSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.191803,"smiles":"COC1=C(OC)C=C(C=C1)[C@@H]2O[C@H]([C@@H](C)[C@@H]2C)C3=CC(OC)=C(OC)C=C3","spectrum_id":"CCMSLIB00000848842","spectrum_index":2494},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179922-02!4-(carboxymethyl)-3-ethenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid","exact_mass":390.116,"inchikey":"RGTONEMDTVVDMY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.123657,"smiles":"OCC1OC(OC2OC=C(C(CC(O)=O)C2C=C)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848843","spectrum_index":2495},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179922-02!4-(carboxymethyl)-3-ethenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid","exact_mass":390.116,"inchikey":"RGTONEMDTVVDMY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":408.151306,"smiles":"OCC1OC(OC2OC=C(C(CC(O)=O)C2C=C)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848844","spectrum_index":2496},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169545-02!(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","exact_mass":494.324,"inchikey":"IJRBORPEVKCEQD-WJUVRXFPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":495.332581,"smiles":"C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)C(C)(C)O","spectrum_id":"CCMSLIB00000848845","spectrum_index":2497},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385703-01!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":610.153,"inchikey":"IKGXIBQEEMLURG-IEBISRBZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.162109,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C(O)=C5)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848846","spectrum_index":2498},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384757-01!5-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylbenzene-1,3-diol","exact_mass":256.11,"inchikey":"FYAAUIASLJEECB-ZZXKWVIFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":257.120026,"smiles":"COC1=CC=C(\\C=C\\C2=CC(O)=CC(O)=C2C)C=C1","spectrum_id":"CCMSLIB00000848847","spectrum_index":2499},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169439-02!8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one","exact_mass":278.115,"inchikey":"KGGUASRIGLRPAX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.115021,"smiles":"COC1=C(CC(O)C(C)(C)O)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000848848","spectrum_index":2500},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169439-02!8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one","exact_mass":278.115,"inchikey":"KGGUASRIGLRPAX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":296.152466,"smiles":"COC1=C(CC(O)C(C)(C)O)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000848849","spectrum_index":2501},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169439-02!8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one","exact_mass":278.115,"inchikey":"KGGUASRIGLRPAX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.15274,"smiles":"COC1=C(CC(O)C(C)(C)O)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000848850","spectrum_index":2502},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168829-02!7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one","exact_mass":314.152,"inchikey":"VNADFOGBKXRWGC-RIYZIHGNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.15152,"smiles":"CC(C)=CC(O)C\\C(C)=C\\COC1=CC2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000848851","spectrum_index":2503},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168829-02!7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one","exact_mass":314.152,"inchikey":"VNADFOGBKXRWGC-RIYZIHGNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":332.188965,"smiles":"CC(C)=CC(O)C\\C(C)=C\\COC1=CC2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000848852","spectrum_index":2504},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384522-01!","exact_mass":358.142,"inchikey":"FTPHYXGWMIZVMP-UGZAWPFQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.151947,"smiles":"C\\C=C(\\C)C(=O)O[C@H]1CC2=CC(C\\C(C)=C\\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O","spectrum_id":"CCMSLIB00000848853","spectrum_index":2505},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384522-01!","exact_mass":358.142,"inchikey":"FTPHYXGWMIZVMP-UGZAWPFQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.179474,"smiles":"C\\C=C(\\C)C(=O)O[C@H]1CC2=CC(C\\C(C)=C\\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O","spectrum_id":"CCMSLIB00000848854","spectrum_index":2506},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347691-02!(3Z)-3-[[1,6-dimethyl-2-[(1E,3E)-penta-1,3-dienyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)pyrrolidine-2,4-dione","exact_mass":399.241,"inchikey":"AIFXMSDWXBFQTF-SNXGECCISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.252136,"smiles":"C\\C=C\\C=C\\C1C=CC2CC(C)CCC2C1(C)C(\\O)=C3\\C(=O)NC(C(C)O)C3=O","spectrum_id":"CCMSLIB00000848855","spectrum_index":2507},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384688-01!","exact_mass":426.131,"inchikey":"XIEXZMWPZITEKI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.132538,"smiles":"COC1=CC2=C(C=C1OC)C3(O)C(OC4=C5CC(OC5=CC=C4C3=O)C(C)=C)C(O)O2","spectrum_id":"CCMSLIB00000848856","spectrum_index":2508},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384521-01!2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":478.111,"inchikey":"PHEWILLIAJUBQE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.122955,"smiles":"COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(OC2=C1)C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00000848857","spectrum_index":2509},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169514-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one","exact_mass":350.246,"inchikey":"AIULWNKTYPZYAN-GOSISDBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.255737,"smiles":"CCCCCCCCC[C@@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00000848858","spectrum_index":2510},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169514-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one","exact_mass":350.246,"inchikey":"AIULWNKTYPZYAN-GOSISDBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":368.281647,"smiles":"CCCCCCCCC[C@@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00000848859","spectrum_index":2511},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385245-01!(2E,4E,14E)-15-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pentadeca-2,4,14-trienamide","exact_mass":411.277,"inchikey":"DRMOIHOBUYFDKF-HMZUNPFJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":412.28656,"smiles":"CC(C)CNC(=O)\\C=C\\C=C\\CCCCCCCC\\C=C\\C1=CC2=C(OCO2)C=C1","spectrum_id":"CCMSLIB00000848860","spectrum_index":2512},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163589-02!2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":448.101,"inchikey":"PEFNSGRTCBGNAN-QNDFHXLGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.109833,"smiles":"OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C4=CC=C(O)C(O)=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848861","spectrum_index":2513},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347613-02!5-[(2R,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol","exact_mass":454.142,"inchikey":"FQWLMRXWKZGLFI-PAKBJIOWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.15036,"smiles":"OC1=CC=C(\\C=C\\C2=CC(O)=CC3=C2[C@@H]([C@@H](O3)C4=CC=C(O)C=C4)C5=CC(O)=CC(O)=C5)C=C1","spectrum_id":"CCMSLIB00000848862","spectrum_index":2514},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00091914-04!(2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid","exact_mass":474.08,"inchikey":"YDDGKXBLOXEEMN-IABMMNSOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":492.115692,"smiles":"OC(=O)[C@H](OC(=O)\\C=C\\C1=CC=C(O)C(O)=C1)[C@@H](OC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)C(O)=O","spectrum_id":"CCMSLIB00000848863","spectrum_index":2515},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385240-01!9-(4-hydroxy-3,5-dimethoxyphenyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","exact_mass":562.169,"inchikey":"HUCNZRPYZDCCEF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.177002,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)CC4=C(OC5OC(CO)C(O)C(O)C5O)C6=C(OCO6)C=C24","spectrum_id":"CCMSLIB00000848864","spectrum_index":2516},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385240-01!9-(4-hydroxy-3,5-dimethoxyphenyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","exact_mass":562.169,"inchikey":"HUCNZRPYZDCCEF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":580.204102,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)CC4=C(OC5OC(CO)C(O)C(O)C5O)C6=C(OCO6)C=C24","spectrum_id":"CCMSLIB00000848865","spectrum_index":2517},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169650-03!5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one","exact_mass":564.148,"inchikey":"OVMFOVNOXASTPA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.15625,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C3OC(=CC(=O)C3=C(O)C(C4OCC(O)C(O)C4O)=C2O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000848866","spectrum_index":2518},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347790-02!2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid","exact_mass":709.44,"inchikey":"IOMBMOCSWVAYQU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":710.448608,"smiles":"CC(O)(CC(=O)NCC(O)=O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C4(C)C(CCC34C)C(CO)CCC(O)C(C)(C)O)C1(C)C","spectrum_id":"CCMSLIB00000848867","spectrum_index":2519},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347790-02!2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid","exact_mass":709.44,"inchikey":"IOMBMOCSWVAYQU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":692.4375,"smiles":"CC(O)(CC(=O)NCC(O)=O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C4(C)C(CCC34C)C(CO)CCC(O)C(C)(C)O)C1(C)C","spectrum_id":"CCMSLIB00000848868","spectrum_index":2520},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381436-01!2-(5,6-dihydroxy-3-methoxycarbonylcyclohex-3-en-1-yl)oxypropanoic acid","exact_mass":260.09,"inchikey":"QEIITRXHOIHGMT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":278.122742,"smiles":"COC(=O)C1=CC(O)C(O)C(C1)OC(C)C(O)=O","spectrum_id":"CCMSLIB00000848869","spectrum_index":2521},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381440-01!(2S,3S)-3-decyl-2-hydroxy-2-(3-methoxy-3-oxopropyl)butanedioic acid","exact_mass":360.215,"inchikey":"GTLYLWQDKQVONL-KDOFPFPSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.221375,"smiles":"CCCCCCCCCC[C@H](C(O)=O)[C@@](O)(CCC(=O)OC)C(O)=O","spectrum_id":"CCMSLIB00000848870","spectrum_index":2522},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381440-01!(2S,3S)-3-decyl-2-hydroxy-2-(3-methoxy-3-oxopropyl)butanedioic acid","exact_mass":360.215,"inchikey":"GTLYLWQDKQVONL-KDOFPFPSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.247742,"smiles":"CCCCCCCCCC[C@H](C(O)=O)[C@@](O)(CCC(=O)OC)C(O)=O","spectrum_id":"CCMSLIB00000848871","spectrum_index":2523},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381440-01!(2S,3S)-3-decyl-2-hydroxy-2-(3-methoxy-3-oxopropyl)butanedioic acid","exact_mass":360.215,"inchikey":"GTLYLWQDKQVONL-KDOFPFPSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.179077,"smiles":"CCCCCCCCCC[C@H](C(O)=O)[C@@](O)(CCC(=O)OC)C(O)=O","spectrum_id":"CCMSLIB00000848872","spectrum_index":2524},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347582-02![4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] hexanoate","exact_mass":384.251,"inchikey":"PBKUOHTZGOWWBK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.246643,"smiles":"CCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12","spectrum_id":"CCMSLIB00000848873","spectrum_index":2525},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385070-01!","exact_mass":416.22,"inchikey":"JEJFTTRHGBKKEI-OKILXGFUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.225891,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(OC)C(OC)=C(OC)C=C3C[C@H](C)[C@H](C)C2","spectrum_id":"CCMSLIB00000848874","spectrum_index":2526},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385070-01!","exact_mass":416.22,"inchikey":"JEJFTTRHGBKKEI-OKILXGFUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.25235,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(OC)C(OC)=C(OC)C=C3C[C@H](C)[C@H](C)C2","spectrum_id":"CCMSLIB00000848875","spectrum_index":2527},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00091057-07!(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one","exact_mass":482.121,"inchikey":"SEBFKMXJBCUCAI-HKTJVKLFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":483.127289,"smiles":"COC1=C(O)C=CC(=C1)[C@H]2OC3=C(O[C@@H]2CO)C=CC(=C3)[C@H]4OC5=C(C(=O)[C@@H]4O)C(O)=CC(O)=C5","spectrum_id":"CCMSLIB00000848876","spectrum_index":2528},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180071-02!8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":540.106,"inchikey":"YOGANETYFUQWIM-PXJZQJOASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":541.110168,"smiles":"OC1=CC=C(C=C1)[C@@H]2OC3=C(C(=O)[C@H]2C4=C5OC(=CC(=O)C5=C(O)C=C4O)C6=CC=C(O)C=C6)C(O)=CC(O)=C3","spectrum_id":"CCMSLIB00000848877","spectrum_index":2529},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381441-01!2-[[6-[[17-[5,6-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-1-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":916.503,"inchikey":"HBCGNAJUSBIBGA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":917.501099,"smiles":"CC(C(CC(C)=C(C)C)OC1OC(CO)C(O)C(O)C1O)C2CCC3C4CC=C5CC(CC(O)C5(C)C4CCC23C)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000848878","spectrum_index":2530},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381441-01!2-[[6-[[17-[5,6-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-1-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":916.503,"inchikey":"HBCGNAJUSBIBGA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":934.526794,"smiles":"CC(C(CC(C)=C(C)C)OC1OC(CO)C(O)C(O)C1O)C2CCC3C4CC=C5CC(CC(O)C5(C)C4CCC23C)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000848879","spectrum_index":2531},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380332-01!5-amino-3-[(2E)-2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl]-5-oxopentanoic acid","exact_mass":281.163,"inchikey":"VUHCEJPYCQSKEW-UUILKARUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.17099,"smiles":"CC1CC(C)C(=O)\\C(C1)=C\\CC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00000848880","spectrum_index":2532},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380332-01!5-amino-3-[(2E)-2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl]-5-oxopentanoic acid","exact_mass":281.163,"inchikey":"VUHCEJPYCQSKEW-UUILKARUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.197845,"smiles":"CC1CC(C)C(=O)\\C(C1)=C\\CC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00000848881","spectrum_index":2533},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169085-02!3-[(7S,8S)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-CBVZESEGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.181213,"smiles":"C[C@@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000848882","spectrum_index":2534},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169085-02!3-[(7S,8S)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-CBVZESEGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.162537,"smiles":"C[C@@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000848883","spectrum_index":2535},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169106-02![(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":478.148,"inchikey":"LFKQVVDFNHDYNK-FOXCETOMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.15564,"smiles":"O[C@@H]1[C@@H](COC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848884","spectrum_index":2536},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169106-02![(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":478.148,"inchikey":"LFKQVVDFNHDYNK-FOXCETOMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":496.182373,"smiles":"O[C@@H]1[C@@H](COC(=O)\\C=C\\C2=CC(O)=C(O)C=C2)O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848885","spectrum_index":2537},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169050-02![3,4-dihydroxy-5-[[3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate","exact_mass":658.211,"inchikey":"YYIPXGSVFFKMDD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":659.218445,"smiles":"COC1=CC(=CC(OC)=C1O)C(=O)OCC2(O)COC(OCC3OC(OC4=C(OC)C=C(CO)C=C4OC)C(O)C(O)C3O)C2O","spectrum_id":"CCMSLIB00000848886","spectrum_index":2538},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169050-02![3,4-dihydroxy-5-[[3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate","exact_mass":658.211,"inchikey":"YYIPXGSVFFKMDD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":676.244629,"smiles":"COC1=CC(=CC(OC)=C1O)C(=O)OCC2(O)COC(OCC3OC(OC4=C(OC)C=C(CO)C=C4OC)C(O)C(O)C3O)C2O","spectrum_id":"CCMSLIB00000848887","spectrum_index":2539},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380277-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one","exact_mass":770.227,"inchikey":"ZJOJKSKTNZMQCX-BRPHUSHRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":771.233826,"smiles":"COC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(=O)C2=C1O","spectrum_id":"CCMSLIB00000848888","spectrum_index":2540},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381298-01!8-(2-hydroxy-1-methoxy-3-methylbut-3-enyl)-7-methoxychromen-2-one","exact_mass":290.115,"inchikey":"DBPWCIPDCMVUFT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.149536,"smiles":"COC(C(O)C(C)=C)C1=C2OC(=O)C=CC2=CC=C1OC","spectrum_id":"CCMSLIB00000848889","spectrum_index":2541},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381299-01!5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one","exact_mass":380.199,"inchikey":"LMEKIDFKWUPZGE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.205963,"smiles":"CC(C)(C=C)C1=CC2=C(OC1=O)C(=C3OC(C)(C)C=CC3=C2O)C(C)(C)C=C","spectrum_id":"CCMSLIB00000848891","spectrum_index":2542},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381296-01![2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":398.137,"inchikey":"JLSIEPYLSSNFSK-PWHKKFIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.144348,"smiles":"COC1=CC=C(\\C=C\\C(=O)OCC(O)COC(=O)\\C=C\\C2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00000848892","spectrum_index":2543},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381296-01![2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":398.137,"inchikey":"JLSIEPYLSSNFSK-PWHKKFIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.133392,"smiles":"COC1=CC=C(\\C=C\\C(=O)OCC(O)COC(=O)\\C=C\\C2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00000848893","spectrum_index":2544},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381296-01![2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":398.137,"inchikey":"JLSIEPYLSSNFSK-PWHKKFIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":416.169952,"smiles":"COC1=CC=C(\\C=C\\C(=O)OCC(O)COC(=O)\\C=C\\C2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00000848894","spectrum_index":2545},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385555-01!4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol","exact_mass":424.225,"inchikey":"GBRZTUJCDFSIHM-KRWDZBQOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.23288,"smiles":"COC1=C(CC=C(C)C)C(O)=CC2=C1C[C@@H](CO2)C3=CC=C(O)C(CC=C(C)C)=C3O","spectrum_id":"CCMSLIB00000848895","spectrum_index":2546},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385574-01![5-acetyloxy-1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl] acetate","exact_mass":432.178,"inchikey":"BWSFBLYFHGZBRQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.18631,"smiles":"CC(=O)OC(CCC1=CC(O)=C(O)C=C1)CC(CCC2=CC=C(O)C(O)=C2)OC(C)=O","spectrum_id":"CCMSLIB00000848896","spectrum_index":2547},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385574-01![5-acetyloxy-1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl] acetate","exact_mass":432.178,"inchikey":"BWSFBLYFHGZBRQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.21228,"smiles":"CC(=O)OC(CCC1=CC(O)=C(O)C=C1)CC(CCC2=CC=C(O)C(O)=C2)OC(C)=O","spectrum_id":"CCMSLIB00000848897","spectrum_index":2548},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385561-01!5-hydroxy-8-methoxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":446.121,"inchikey":"YLOZPZMPWNUOJV-DRASZATQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.12851,"smiles":"COC1=C2OC(=CC(=O)C2=C(O)C=C1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000848898","spectrum_index":2549},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00177162-03!6-methoxy-2-phenylchromen-4-one","exact_mass":252.079,"inchikey":"XZQLSABETMKIGG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.089584,"smiles":"COC1=CC2=C(OC(=CC2=O)C3=CC=CC=C3)C=C1","spectrum_id":"CCMSLIB00000848899","spectrum_index":2550},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180747-02!5-[(1S,2R,4aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid","exact_mass":320.235,"inchikey":"RNWHJFUXZQBBLK-VWJHISDNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.246704,"smiles":"CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O","spectrum_id":"CCMSLIB00000848900","spectrum_index":2551},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180747-02!5-[(1S,2R,4aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid","exact_mass":320.235,"inchikey":"RNWHJFUXZQBBLK-VWJHISDNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.228607,"smiles":"CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O","spectrum_id":"CCMSLIB00000848901","spectrum_index":2552},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385174-01!1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one","exact_mass":326.152,"inchikey":"IZCOBQSZMYGEDP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.1633,"smiles":"CC(C)=CCC1=C(O)C=CC(C(=O)CCC2=CC=C(O)C=C2)=C1O","spectrum_id":"CCMSLIB00000848902","spectrum_index":2553},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385170-01!3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one","exact_mass":464.095,"inchikey":"YLWQTYZKYGNKPI-HMGRVEAOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.107819,"smiles":"OC[C@H]1O[C@@H](OC2=C(O)C=CC(=C2)C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848903","spectrum_index":2554},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169555-02!2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","exact_mass":478.111,"inchikey":"NAQNISJXKDSYJD-DHWIRCOFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.123261,"smiles":"COC1=C(O)C=C(C=C1O)C2=C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C(=O)C4=C(O2)C=C(O)C=C4O","spectrum_id":"CCMSLIB00000848904","spectrum_index":2555},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385166-01![(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","exact_mass":478.148,"inchikey":"WKDMJJFSCAZJHE-DODNOZFWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.159821,"smiles":"CC(=O)OC[C@H]1O[C@@H](OC2=C(C(=O)CCC3=CC=C(O)C=C3)C(O)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848905","spectrum_index":2556},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385175-01!7-hydroxy-3-(2-oxochromen-7-yl)oxy-8-[2-oxo-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-8-yl]chromen-2-one","exact_mass":628.122,"inchikey":"IKMYHRZEPWIULH-JJPXTECOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":629.135193,"smiles":"C[C@@H]1O[C@@H](OC2=CC=C3C=CC(=O)OC3=C2C4=C5OC(=O)C(OC6=CC=C7C=CC(=O)OC7=C6)=CC5=CC=C4O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848906","spectrum_index":2557},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385175-01!7-hydroxy-3-(2-oxochromen-7-yl)oxy-8-[2-oxo-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-8-yl]chromen-2-one","exact_mass":628.122,"inchikey":"IKMYHRZEPWIULH-JJPXTECOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":646.16217,"smiles":"C[C@@H]1O[C@@H](OC2=CC=C3C=CC(=O)OC3=C2C4=C5OC(=O)C(OC6=CC=C7C=CC(=O)OC7=C6)=CC5=CC=C4O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848907","spectrum_index":2558},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169225-02!methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate","exact_mass":346.105,"inchikey":"XJOBKBUGVMLSEJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.109222,"smiles":"COC(=O)C1=C(C(=O)C2=C(OC)C=C(C)C=C2O)C(OC)=CC(O)=C1","spectrum_id":"CCMSLIB00000848908","spectrum_index":2559},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347636-02![2-[2-(2-methylpropanoyloxy)propan-2-yl]-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate","exact_mass":402.168,"inchikey":"TZCDAGMXXYRIKO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.172363,"smiles":"CC(C)C(=O)OC1C(OC2=CC3=C(C=CC(=O)O3)C=C12)C(C)(C)OC(=O)C(C)C","spectrum_id":"CCMSLIB00000848909","spectrum_index":2560},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347636-02![2-[2-(2-methylpropanoyloxy)propan-2-yl]-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate","exact_mass":402.168,"inchikey":"TZCDAGMXXYRIKO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":420.197998,"smiles":"CC(C)C(=O)OC1C(OC2=CC3=C(C=CC(=O)O3)C=C12)C(C)(C)OC(=O)C(C)C","spectrum_id":"CCMSLIB00000848910","spectrum_index":2561},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380987-01!","exact_mass":442.126,"inchikey":"VTTCGBFKWPZDFS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.13031,"smiles":"COC1=C2C(OC3OC=CC23O)=CC4=C1C(=O)C5=C(O)C=CC(C(O)CC(C)(C)O)=C5O4","spectrum_id":"CCMSLIB00000848911","spectrum_index":2562},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380987-01!","exact_mass":442.126,"inchikey":"VTTCGBFKWPZDFS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.118591,"smiles":"COC1=C2C(OC3OC=CC23O)=CC4=C1C(=O)C5=C(O)C=CC(C(O)CC(C)(C)O)=C5O4","spectrum_id":"CCMSLIB00000848912","spectrum_index":2563},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380983-01!","exact_mass":692.026,"inchikey":"XAOSFOYYQINANH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":693.02655,"smiles":"COC1=C(OC2=CC(C=O)=CC=C2O)C=C(C=C1)C(=O)OC3C=COC=C4C(O)C56SSSSC(OC)(N(C)C5=O)C(=O)N6C34","spectrum_id":"CCMSLIB00000848913","spectrum_index":2564},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380983-01!","exact_mass":692.026,"inchikey":"XAOSFOYYQINANH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":710.050537,"smiles":"COC1=C(OC2=CC(C=O)=CC=C2O)C=C(C=C1)C(=O)OC3C=COC=C4C(O)C56SSSSC(OC)(N(C)C5=O)C(=O)N6C34","spectrum_id":"CCMSLIB00000848914","spectrum_index":2565},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180442-02!2-[(1S)-1-hydroxyethyl]-1H-quinazolin-4-one","exact_mass":190.074,"inchikey":"BMBSGGZMJQTQSO-LURJTMIESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":191.080933,"smiles":"C[C@H](O)C1=NC2=C(C=CC=C2)C(=O)N1","spectrum_id":"CCMSLIB00000848915","spectrum_index":2566},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180442-02!2-[(1S)-1-hydroxyethyl]-1H-quinazolin-4-one","exact_mass":190.074,"inchikey":"BMBSGGZMJQTQSO-LURJTMIESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":232.107529,"smiles":"C[C@H](O)C1=NC2=C(C=CC=C2)C(=O)N1","spectrum_id":"CCMSLIB00000848916","spectrum_index":2567},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180754-02!(2S,3S)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxy-2-methylbutanoic acid","exact_mass":312.085,"inchikey":"VFNQXFLXWICPJF-ACIZLPDLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.091583,"smiles":"C[C@](OC(=O)\\C=C\\C1=CC(O)=C(O)C=C1)([C@@H](O)CO)C(O)=O","spectrum_id":"CCMSLIB00000848917","spectrum_index":2568},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347542-02!4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol","exact_mass":328.167,"inchikey":"XCRBJSLPMIXFOO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.174469,"smiles":"COC1=CC=C(C=C1OC)C2OC(C(C)C2C)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000848918","spectrum_index":2569},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347542-02!4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol","exact_mass":328.167,"inchikey":"XCRBJSLPMIXFOO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.16391,"smiles":"COC1=CC=C(C=C1OC)C2OC(C(C)C2C)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000848919","spectrum_index":2570},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347542-02!4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol","exact_mass":328.167,"inchikey":"XCRBJSLPMIXFOO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.200745,"smiles":"COC1=CC=C(C=C1OC)C2OC(C(C)C2C)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000848920","spectrum_index":2571},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179902-03!2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid","exact_mass":358.214,"inchikey":"GZLIPAFSJXROEC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.222229,"smiles":"CC(C)=CCCC(C)(O)C1CC2=C(O1)C(CC=C(C)C)=CC(=C2)C(O)=O","spectrum_id":"CCMSLIB00000848921","spectrum_index":2572},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179902-03!2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid","exact_mass":358.214,"inchikey":"GZLIPAFSJXROEC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.210724,"smiles":"CC(C)=CCCC(C)(O)C1CC2=C(O1)C(CC=C(C)C)=CC(=C2)C(O)=O","spectrum_id":"CCMSLIB00000848922","spectrum_index":2573},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179902-03!2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid","exact_mass":358.214,"inchikey":"GZLIPAFSJXROEC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.247925,"smiles":"CC(C)=CCCC(C)(O)C1CC2=C(O1)C(CC=C(C)C)=CC(=C2)C(O)=O","spectrum_id":"CCMSLIB00000848923","spectrum_index":2574},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180790-02!4-hydroxy-3,3,5-trimethyl-4-[(E)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohexan-1-one","exact_mass":388.21,"inchikey":"QFTPTUOKFIIFJH-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.241943,"smiles":"CC(OC1OC(CO)C(O)C(O)C1O)\\C=C\\C2(O)C(C)CC(=O)CC2(C)C","spectrum_id":"CCMSLIB00000848924","spectrum_index":2575},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380685-01![(2S,3R,4S,5R,6R)-5-hydroxy-2,4-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-(2-methoxy-2-oxoethyl)benzoate","exact_mass":860.128,"inchikey":"YMFLMFCNFNRUFO-MGDWAEGFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":878.157959,"smiles":"COC(=O)CC1=C(C=C(O)C(O)=C1O)C(=O)O[C@H]2[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)O[C@H](COC(=O)C4=CC(O)=C(O)C(O)=C4)[C@@H](O)[C@@H]2OC(=O)C5=CC(O)=C(O)C(O)=C5","spectrum_id":"CCMSLIB00000848925","spectrum_index":2576},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169729-02!2-(1-hydroxyethyl)-4-(2-hydroxypropyl)-2H-furan-5-one","exact_mass":186.089,"inchikey":"JAAFNWYGLROOGI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":187.09584,"smiles":"CC(O)CC1=CC(OC1=O)C(C)O","spectrum_id":"CCMSLIB00000848926","spectrum_index":2577},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381372-01!6,8-dihydroxy-7-methoxy-3-methylisochromen-1-one","exact_mass":222.053,"inchikey":"LREZRXWUEZCZRU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":223.059402,"smiles":"COC1=C(O)C=C2C=C(C)OC(=O)C2=C1O","spectrum_id":"CCMSLIB00000848927","spectrum_index":2578},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385090-01!2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":418.126,"inchikey":"HJBUYKZTEBZNSH-UZQFATADSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.13324,"smiles":"OC[C@H]1O[C@@H](OC2=CC=C3C(=O)CC(OC3=C2)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848928","spectrum_index":2579},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163625-02!3,5,7-trihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one","exact_mass":464.095,"inchikey":"OIUBYZLTFSLSBY-HMGRVEAOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.101227,"smiles":"OC[C@H]1O[C@@H](OC2=C(O)C=C(C=C2)C3=C(O)C(=O)C4=C(O3)C=C(O)C=C4O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000848929","spectrum_index":2580},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385085-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":580.143,"inchikey":"YJPZWZRYHLEDNA-KSPKLRDJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":581.147522,"smiles":"O[C@H]1CO[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848930","spectrum_index":2581},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169280-03!methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxy-5-methoxybenzoate","exact_mass":332.09,"inchikey":"XKIBNYJGNBTYMP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.096527,"smiles":"COC(=O)C1=C(C(=O)C2=C(O)C=C(C)C=C2O)C(O)=CC(OC)=C1","spectrum_id":"CCMSLIB00000848931","spectrum_index":2582},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169280-03!methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxy-5-methoxybenzoate","exact_mass":332.09,"inchikey":"XKIBNYJGNBTYMP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.08609,"smiles":"COC(=O)C1=C(C(=O)C2=C(O)C=C(C)C=C2O)C(O)=CC(OC)=C1","spectrum_id":"CCMSLIB00000848932","spectrum_index":2583},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347799-02!2,5-bis(4-hydroxyphenyl)-3,6-dimethoxyphenol","exact_mass":338.115,"inchikey":"YNEMPXKRLPZFAX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.122406,"smiles":"COC1=CC(C2=CC=C(O)C=C2)=C(OC)C(O)=C1C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000848933","spectrum_index":2584},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180657-03!(3S,6R,6aS,7S)-6,6a,7,8-tetrahydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione","exact_mass":344.126,"inchikey":"PKPHZFVECLENRP-QDWLCUAPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.132812,"smiles":"C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@]3(O)[C@@H](O)C4=C(C=CC=C4O)C(=O)C23","spectrum_id":"CCMSLIB00000848934","spectrum_index":2585},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180657-03!(3S,6R,6aS,7S)-6,6a,7,8-tetrahydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione","exact_mass":344.126,"inchikey":"PKPHZFVECLENRP-QDWLCUAPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.114288,"smiles":"C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@]3(O)[C@@H](O)C4=C(C=CC=C4O)C(=O)C23","spectrum_id":"CCMSLIB00000848935","spectrum_index":2586},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384593-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate","exact_mass":388.152,"inchikey":"AEXJMQYVIPHZDJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.158905,"smiles":"CC(C)CC(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00000848936","spectrum_index":2587},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384593-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate","exact_mass":388.152,"inchikey":"AEXJMQYVIPHZDJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.148407,"smiles":"CC(C)CC(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00000848937","spectrum_index":2588},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384593-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate","exact_mass":388.152,"inchikey":"AEXJMQYVIPHZDJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.185333,"smiles":"CC(C)CC(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00000848938","spectrum_index":2589},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384604-01!4-[(2R,3R)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene","exact_mass":418.236,"inchikey":"KFLQGJQSLUYUBF-PMACEKPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.242249,"smiles":"COC[C@H](CC1=CC=C(OC)C(OC)=C1)[C@H](COC)CC2=CC=C(OC)C(OC)=C2","spectrum_id":"CCMSLIB00000848939","spectrum_index":2590},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384604-01!4-[(2R,3R)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene","exact_mass":418.236,"inchikey":"KFLQGJQSLUYUBF-PMACEKPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":436.268494,"smiles":"COC[C@H](CC1=CC=C(OC)C(OC)=C1)[C@H](COC)CC2=CC=C(OC)C(OC)=C2","spectrum_id":"CCMSLIB00000848940","spectrum_index":2591},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180613-03!1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone","exact_mass":586.333,"inchikey":"SXTGVXKFOVZYIK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":587.33728,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00000848941","spectrum_index":2592},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180613-03!1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone","exact_mass":586.333,"inchikey":"SXTGVXKFOVZYIK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.31842,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00000848942","spectrum_index":2593},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347509-02!(2E,6E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,11,15,19,23,27,31-heptol","exact_mass":738.637,"inchikey":"FPJJIWCMASJCHO-NXRGQNTBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":739.641052,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC\\C(C)=C\\CC\\C(C)=C\\CO","spectrum_id":"CCMSLIB00000848943","spectrum_index":2594},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347509-02!(2E,6E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,11,15,19,23,27,31-heptol","exact_mass":738.637,"inchikey":"FPJJIWCMASJCHO-NXRGQNTBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":761.622925,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC\\C(C)=C\\CC\\C(C)=C\\CO","spectrum_id":"CCMSLIB00000848944","spectrum_index":2595},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385363-01!(3-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone","exact_mass":246.053,"inchikey":"QWRYPHZJTWQLFX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.057358,"smiles":"OC1=CC=CC(=C1)C(=O)C2=C(O)C=C(O)C=C2O","spectrum_id":"CCMSLIB00000848945","spectrum_index":2596},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385155-01!7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one","exact_mass":382.214,"inchikey":"FCWYNTDTQPCVPG-WTMJVXIESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.219086,"smiles":"CC1(C)[C@H](O)CC[C@@]2(C)[C@@H](COC3=CC=C4C=CC(=O)OC4=C3)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00000848946","spectrum_index":2597},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385155-01!7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one","exact_mass":382.214,"inchikey":"FCWYNTDTQPCVPG-WTMJVXIESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.245514,"smiles":"CC1(C)[C@H](O)CC[C@@]2(C)[C@@H](COC3=CC=C4C=CC(=O)OC4=C3)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00000848947","spectrum_index":2598},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247500-02!(2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)trideca-2,4,12-trienamide","exact_mass":383.246,"inchikey":"FPMPOFBEYSSYDQ-AUVZEZIHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":384.250702,"smiles":"CC(C)CNC(=O)\\C=C\\C=C\\CCCCCC\\C=C\\C1=CC2=C(OCO2)C=C1","spectrum_id":"CCMSLIB00000848948","spectrum_index":2599},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247500-02!(2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)trideca-2,4,12-trienamide","exact_mass":383.246,"inchikey":"FPMPOFBEYSSYDQ-AUVZEZIHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.2323,"smiles":"CC(C)CNC(=O)\\C=C\\C=C\\CCCCCC\\C=C\\C1=CC2=C(OCO2)C=C1","spectrum_id":"CCMSLIB00000848949","spectrum_index":2600},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168934-02!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","exact_mass":448.101,"inchikey":"PLAPMLGJVGLZOV-RKNSFIPESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.104462,"smiles":"OC[C@H]1OC([C@H](O)[C@@H](O)[C@H]1O)C2=C3OC(=CC(=O)C3=C(O)C=C2O)C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00000848950","spectrum_index":2601},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385136-01!3-[1,1-bis(4-hydroxyphenyl)-3-oxo-3-(2,4,6-trihydroxyphenyl)propan-2-yl]-5,7-dihydroxychromen-4-one","exact_mass":542.121,"inchikey":"KLKLIUIRQAMTAJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.124451,"smiles":"OC1=CC=C(C=C1)C(C(C(=O)C2=C(O)C=C(O)C=C2O)C3=COC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000848951","spectrum_index":2602},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384830-02!3-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":570.153,"inchikey":"BTCICADMSGBCKA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":571.15509,"smiles":"COC1=CC=C(C=C1)C2OC3=CC(O)=CC(O)=C3C(=O)C2C4C(OC5=CC(O)=CC(O)=C5C4=O)C6=CC=C(OC)C=C6","spectrum_id":"CCMSLIB00000848952","spectrum_index":2603},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385142-01![(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate","exact_mass":616.106,"inchikey":"IXDHJNNHLVGCLC-MXXRNXGISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":617.108643,"smiles":"C[C@@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C(O)=C4)[C@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848954","spectrum_index":2604},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384962-01!2-hydroxy-1,3-dimethoxy-10-methylacridin-9-one","exact_mass":285.1,"inchikey":"JENFZXAOWFNHSE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.106079,"smiles":"COC1=CC2=C(C(=O)C3=CC=CC=C3N2C)C(OC)=C1O","spectrum_id":"CCMSLIB00000848955","spectrum_index":2605},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384972-01!7-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one","exact_mass":420.157,"inchikey":"IEKQCBVQJGWJRO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.162781,"smiles":"CC(C)=CCC1=C2OC=C(C(=O)C2=C(O)C3=C1OC(C)(C)C=C3)C4=CC=C(O)C=C4O","spectrum_id":"CCMSLIB00000848956","spectrum_index":2606},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169122-02!2-oct-1-en-3-yloxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol","exact_mass":422.215,"inchikey":"VXNMHZVTDWLWRX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":440.246613,"smiles":"CCCCCC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C=C","spectrum_id":"CCMSLIB00000848957","spectrum_index":2607},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384955-01!9-methoxy-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one","exact_mass":474.116,"inchikey":"MLRDPISQDDYRHC-BSTKLLGTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.121582,"smiles":"COC1=C2C(=O)C(=COC2=CC3=C1OCO3)C4=CC=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4","spectrum_id":"CCMSLIB00000848958","spectrum_index":2608},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384945-01!","exact_mass":567.247,"inchikey":"CUYKZBWMGHLTKQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":568.251282,"smiles":"CC(=O)OCC1(C)C(CCC2(C)C1CC(OC(C)=O)C3(C)OC4=C(CC23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00000848959","spectrum_index":2609},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180770-02!3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":594.158,"inchikey":"YFPYXTNSQOUHPS-NIILUQFKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.162659,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC3=C(OC4=C(C3=O)C(O)=CC(O)=C4)C5=CC=C(O)C=C5)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848960","spectrum_index":2610},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180770-02!3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","exact_mass":594.158,"inchikey":"YFPYXTNSQOUHPS-NIILUQFKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":617.144043,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC3=C(OC4=C(C3=O)C(O)=CC(O)=C4)C5=CC=C(O)C=C5)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000848961","spectrum_index":2611},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384767-01!8-hydroxy-6,7-dimethoxychromen-2-one","exact_mass":222.053,"inchikey":"QNFBKOHHLAWWTC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":223.060699,"smiles":"COC1=C(OC)C(O)=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00000848962","spectrum_index":2612},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384767-01!8-hydroxy-6,7-dimethoxychromen-2-one","exact_mass":222.053,"inchikey":"QNFBKOHHLAWWTC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":240.087189,"smiles":"COC1=C(OC)C(O)=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00000848963","spectrum_index":2613},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384779-01!8-hydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxyisochromen-1-one","exact_mass":250.084,"inchikey":"ORLHWDAVUBPRKN-ZETCQYMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.092178,"smiles":"COC1=CC(O)=C2C(=O)OC(C[C@H](C)O)=CC2=C1","spectrum_id":"CCMSLIB00000848964","spectrum_index":2614},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347521-02!3,6,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","exact_mass":338.079,"inchikey":"JJOLHRYZQSDLSA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.086334,"smiles":"CC1(O)CC(=O)C2=C(C1)C=C(O)C3=C2C(=O)C4=CC=CC(O)=C4C3=O","spectrum_id":"CCMSLIB00000848965","spectrum_index":2615},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384813-01!6-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid","exact_mass":358.069,"inchikey":"XOLNJKHCNSNACU-QHHAFSJGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.077789,"smiles":"OC(=O)\\C=C\\C1=CC2=C(OC(C(O2)C(O)=O)C3=CC=C(O)C(O)=C3)C=C1","spectrum_id":"CCMSLIB00000848966","spectrum_index":2616},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384813-01!6-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid","exact_mass":358.069,"inchikey":"XOLNJKHCNSNACU-QHHAFSJGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.102966,"smiles":"OC(=O)\\C=C\\C1=CC2=C(OC(C(O2)C(O)=O)C3=CC=C(O)C(O)=C3)C=C1","spectrum_id":"CCMSLIB00000848967","spectrum_index":2617},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384828-01!","exact_mass":509.241,"inchikey":"LNZRIIIDRGIMHV-CBDOUEBYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":510.24942,"smiles":"CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@@]3(C)OC4=C(CC23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00000848970","spectrum_index":2618},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384828-01!","exact_mass":509.241,"inchikey":"LNZRIIIDRGIMHV-CBDOUEBYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":527.286194,"smiles":"CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@@]3(C)OC4=C(CC23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00000848971","spectrum_index":2619},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384805-01!","exact_mass":586.423,"inchikey":"QUVRUINWOFZNJL-QNMVXEMISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":569.421265,"smiles":"CCCCCCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3(O)C4C=C(C)C(=O)[C@@]4(O)CC(CO)=C[C@H]3[C@@H]1C2(C)C","spectrum_id":"CCMSLIB00000848972","spectrum_index":2620},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168921-02!7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one","exact_mass":248.141,"inchikey":"AVFIYMSJDDGDBQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.148026,"smiles":"CC1CC2OC(=O)C(=C)C2CC=C1CCC(C)=O","spectrum_id":"CCMSLIB00000848973","spectrum_index":2621},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168921-02!7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one","exact_mass":248.141,"inchikey":"AVFIYMSJDDGDBQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":266.174713,"smiles":"CC1CC2OC(=O)C(=C)C2CC=C1CCC(C)=O","spectrum_id":"CCMSLIB00000848974","spectrum_index":2622},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385066-01!2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol","exact_mass":314.225,"inchikey":"QHMBSVQNZZTUGM-MSOLQXFVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.231323,"smiles":"CCCCCC1=CC(O)=C([C@H]2C=C(C)CC[C@@H]2C(C)=C)C(O)=C1","spectrum_id":"CCMSLIB00000848975","spectrum_index":2623},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347567-02!","exact_mass":336.136,"inchikey":"NGRRXMZEVSBATO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.142853,"smiles":"COC1=CC2=C(C3C(O2)C3(C)C)C4=C1C(=O)CC(O4)C5=CC=CC=C5","spectrum_id":"CCMSLIB00000848976","spectrum_index":2624},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385067-01!(2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":352.167,"inchikey":"JYESOAFLKFHYHP-SFHVURJKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.174347,"smiles":"COC1=CC(OC)=C2C(=O)C[C@H](OC2=C1CC=C(C)C)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000848977","spectrum_index":2625},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385067-01!(2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one","exact_mass":352.167,"inchikey":"JYESOAFLKFHYHP-SFHVURJKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.161865,"smiles":"COC1=CC(OC)=C2C(=O)C[C@H](OC2=C1CC=C(C)C)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000848978","spectrum_index":2626},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385073-01!5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":592.179,"inchikey":"WWSNSDWQADMAJB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.183838,"smiles":"COC1=CC=C(C=C1)C2=COC3=CC(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)=CC(O)=C3C2=O","spectrum_id":"CCMSLIB00000848979","spectrum_index":2627},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385073-01!5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one","exact_mass":592.179,"inchikey":"WWSNSDWQADMAJB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":615.165161,"smiles":"COC1=CC=C(C=C1)C2=COC3=CC(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)=CC(O)=C3C2=O","spectrum_id":"CCMSLIB00000848980","spectrum_index":2628},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179796-02!5-[(E)-3-hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol","exact_mass":228.136,"inchikey":"KLZSJMCXTDLPSF-SNAWJCMRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":246.170074,"smiles":"CC(C)(O)\\C=C\\C1=CC(O)C(C)(O)CC1O","spectrum_id":"CCMSLIB00000848981","spectrum_index":2629},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380354-01!(4E,6E)-3-(4-formylanilino)-8-hydroxyocta-4,6-dienoic acid","exact_mass":275.116,"inchikey":"DRKWUQGWCYRVJI-ZPUQHVIOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.123291,"smiles":"OC\\C=C\\C=C\\C(CC(O)=O)NC1=CC=C(C=O)C=C1","spectrum_id":"CCMSLIB00000848982","spectrum_index":2630},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380355-01!(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione","exact_mass":342.131,"inchikey":"MJMMUATWVTYSFD-YDFGWWAZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.139465,"smiles":"CC1CC(=O)OC(C)C(O)\\C=C\\C(=O)OC(C)C(O)\\C=C\\C(=O)O1","spectrum_id":"CCMSLIB00000848983","spectrum_index":2631},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380355-01!(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione","exact_mass":342.131,"inchikey":"MJMMUATWVTYSFD-YDFGWWAZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":360.165863,"smiles":"CC1CC(=O)OC(C)C(O)\\C=C\\C(=O)OC(C)C(O)\\C=C\\C(=O)O1","spectrum_id":"CCMSLIB00000848984","spectrum_index":2632},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380357-01!7-[3,5-dihydroxy-4-(4-hydroxyphenyl)-2-methoxyphenyl]-3-methoxy-3,4-dihydrooxepine-2,5-dione","exact_mass":386.1,"inchikey":"PHJBAEPUTMLVER-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.107422,"smiles":"COC1CC(=O)C=C(OC1=O)C2=CC(O)=C(C3=CC=C(O)C=C3)C(O)=C2OC","spectrum_id":"CCMSLIB00000848987","spectrum_index":2633},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347672-02!N-[4,5-dihydroxy-2-[[4-[hydroxy(phenyl)methyl]-5-oxo-3-phenyl-2H-furan-2-yl]oxy]-6-(methoxymethyl)oxan-3-yl]acetamide","exact_mass":499.184,"inchikey":"UCFGUMMLHWLLKJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":500.191467,"smiles":"COCC1OC(OC2OC(=O)C(C(O)C3=CC=CC=C3)=C2C4=CC=CC=C4)C(NC(C)=O)C(O)C1O","spectrum_id":"CCMSLIB00000848988","spectrum_index":2634},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380356-01![2-[4-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":926.306,"inchikey":"YGVDLUVQOOJTBM-FNCQTZNRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":944.338745,"smiles":"CC1OC(OC2C(C)OC(OC3C(O)C(OC5(COC(=O)\\C=C\\C4=CC=C(O)C=C4)OC(CO)C(O)C5O)OC(CO)C3OC(=O)\\C=C\\C6=CC=C(O)C=C6)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000848989","spectrum_index":2635},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180776-02!2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one","exact_mass":254.094,"inchikey":"QIUYUYOXCGBABP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.10112,"smiles":"COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=CC=C3","spectrum_id":"CCMSLIB00000848990","spectrum_index":2636},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381149-01!methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate","exact_mass":362.1,"inchikey":"QVUUGDKCVIHHKR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.105957,"smiles":"COC(=O)C1=C(OC2=CC(C)=CC(O)=C2C(=O)OC)C(O)=CC(OC)=C1","spectrum_id":"CCMSLIB00000848992","spectrum_index":2637},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381149-01!methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate","exact_mass":362.1,"inchikey":"QVUUGDKCVIHHKR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":380.132874,"smiles":"COC(=O)C1=C(OC2=CC(C)=CC(O)=C2C(=O)OC)C(O)=CC(OC)=C1","spectrum_id":"CCMSLIB00000848993","spectrum_index":2638},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381149-01!methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate","exact_mass":362.1,"inchikey":"QVUUGDKCVIHHKR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.088654,"smiles":"COC(=O)C1=C(OC2=CC(C)=CC(O)=C2C(=O)OC)C(O)=CC(OC)=C1","spectrum_id":"CCMSLIB00000848994","spectrum_index":2639},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381153-01![4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] octanoate","exact_mass":412.282,"inchikey":"ROWCOMZNXJCEGO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.277222,"smiles":"CCCCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12","spectrum_id":"CCMSLIB00000848995","spectrum_index":2640},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381071-01!1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone","exact_mass":584.353,"inchikey":"ABHHIGWFFMCQOC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":585.357605,"smiles":"ON1CCCCCNC(=O)CCC(=O)NCCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00000848996","spectrum_index":2641},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381071-01!1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone","exact_mass":584.353,"inchikey":"ABHHIGWFFMCQOC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":607.338928,"smiles":"ON1CCCCCNC(=O)CCC(=O)NCCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00000848997","spectrum_index":2642},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347635-02![5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate","exact_mass":340.189,"inchikey":"MPXXSICHRNCHHK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.195282,"smiles":"CCC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O","spectrum_id":"CCMSLIB00000848998","spectrum_index":2643},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347635-02![5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate","exact_mass":340.189,"inchikey":"MPXXSICHRNCHHK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":358.221802,"smiles":"CCC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O","spectrum_id":"CCMSLIB00000848999","spectrum_index":2644},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380478-01!(3S,3aR,6S,6aR)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan","exact_mass":386.173,"inchikey":"PEUUVVGQIVMSAW-RZTYQLBFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.206665,"smiles":"COC1=C(OC)C=C(C=C1)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3C4=CC(OC)=C(OC)C=C4","spectrum_id":"CCMSLIB00000849000","spectrum_index":2645},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180690-03!2-[5,7-dihydroxy-3-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-isoindol-2-yl]pentanedioic acid","exact_mass":499.257,"inchikey":"LTEYADKCUWEHSA-ZYCAGONGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":500.262512,"smiles":"CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC1=C(O)C2=C(C=C1O)C(=O)N(C2)C(CCC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000849001","spectrum_index":2646},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180690-03!2-[5,7-dihydroxy-3-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-isoindol-2-yl]pentanedioic acid","exact_mass":499.257,"inchikey":"LTEYADKCUWEHSA-ZYCAGONGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.24408,"smiles":"CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC1=C(O)C2=C(C=C1O)C(=O)N(C2)C(CCC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000849002","spectrum_index":2647},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380583-01!(1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid","exact_mass":516.127,"inchikey":"YDDUMTOHNYZQPO-PSEXTPKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.132385,"smiles":"O[C@@H]1C[C@@](C[C@@H](OC(=O)\\C=C\\C2=CC=C(O)C(O)=C2)[C@@H]1O)(OC(=O)\\C=C\\C3=CC(O)=C(O)C=C3)C(O)=O","spectrum_id":"CCMSLIB00000849003","spectrum_index":2648},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180856-03!5,6,8-trihydroxy-2-methyl-9-(5,6,8-trihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one","exact_mass":518.121,"inchikey":"JGQBYBXYRUCBQY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.127441,"smiles":"CC1CC(=O)C2=C(O)C3=C(O)C=C(O)C(=C3C=C2O1)C4=C(O)C=C(O)C5=C(O)C6=C(OC(C)CC6=O)C=C45","spectrum_id":"CCMSLIB00000849004","spectrum_index":2649},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380582-01![(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":588.148,"inchikey":"YPFUHFNAEWURDN-ZKPBLSLZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":589.152832,"smiles":"O[C@@H]1[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H](OC3=CC(O)=C(C(=O)CCC4=CC=C(O)C=C4)C(O)=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849005","spectrum_index":2650},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380582-01![(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":588.148,"inchikey":"YPFUHFNAEWURDN-ZKPBLSLZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":606.179443,"smiles":"O[C@@H]1[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H](OC3=CC(O)=C(C(=O)CCC4=CC=C(O)C=C4)C(O)=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849006","spectrum_index":2651},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380457-01!","exact_mass":668.414,"inchikey":"SOOVMLNBEBDSMV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":686.445618,"smiles":"CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000849007","spectrum_index":2652},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380466-01!","exact_mass":948.493,"inchikey":"MKLSDOYALQNPMS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":949.495728,"smiles":"CC(C(O)CC(C)=C(C)C)C1CCC2C3C4OC4C5(O)CC(CC(O)C5(C)C3CCC12C)OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C6O","spectrum_id":"CCMSLIB00000849008","spectrum_index":2653},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380466-01!","exact_mass":948.493,"inchikey":"MKLSDOYALQNPMS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":966.522034,"smiles":"CC(C(O)CC(C)=C(C)C)C1CCC2C3C4OC4C5(O)CC(CC(O)C5(C)C3CCC12C)OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C6O","spectrum_id":"CCMSLIB00000849009","spectrum_index":2654},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016327-13!4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one","exact_mass":260.068,"inchikey":"HSMPDPBYAYSOBC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.076386,"smiles":"COC1=C2OC(C)=CC(=O)C2=C(OC)C3=C1OC=C3","spectrum_id":"CCMSLIB00000849010","spectrum_index":2655},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169144-02!7-hydroxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one","exact_mass":284.068,"inchikey":"YSINCDVRUMTOPK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.076294,"smiles":"COC1=C2C(=O)C(=COC2=CC(O)=C1)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000849011","spectrum_index":2656},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180838-02!(E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one","exact_mass":287.152,"inchikey":"QHWOFMXDKFORMO-XVNBXDOJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.16037,"smiles":"O=C(\\C=C\\CCC1=CC2=C(OCO2)C=C1)N3CCCCC3","spectrum_id":"CCMSLIB00000849012","spectrum_index":2657},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180245-03!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one","exact_mass":300.063,"inchikey":"VJJZJBUCDWKPLC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.07132,"smiles":"COC1=C(OC2=C(C1=O)C(O)=CC(O)=C2)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000849013","spectrum_index":2658},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163594-03!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one","exact_mass":316.058,"inchikey":"FHHSEFRSDKWJKJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.066406,"smiles":"COC1=C(O)C=C2OC(=CC(=O)C2=C1O)C3=CC=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000849014","spectrum_index":2659},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180655-02!5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one","exact_mass":480.09,"inchikey":"FOHXFLPXBUAOJM-MGMURXEASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.098053,"smiles":"OC[C@H]1O[C@@H](OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3)C4=CC(O)=C(O)C(O)=C4)[C@H](O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849015","spectrum_index":2660},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180655-02!5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one","exact_mass":480.09,"inchikey":"FOHXFLPXBUAOJM-MGMURXEASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.080414,"smiles":"OC[C@H]1O[C@@H](OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3)C4=CC(O)=C(O)C(O)=C4)[C@H](O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849016","spectrum_index":2661},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168820-02!5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one","exact_mass":578.164,"inchikey":"PUPKKEQDLNREIM-QNSQPKOQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.170898,"smiles":"C[C@@H]1O[C@@H](OC2=CC3=C(C(O)=C2)C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(O3)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849017","spectrum_index":2662},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163634-02![(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","exact_mass":594.137,"inchikey":"DVGGLGXQSFURLP-VWMSDXGPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.144775,"smiles":"O[C@@H]1[C@@H](COC(=O)\\C=C\\C2=CC=C(O)C=C2)O[C@@H](OC3=C(OC4=C(C3=O)C(O)=CC(O)=C4)C5=CC=C(O)C=C5)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849018","spectrum_index":2663},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00096070-07!7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one","exact_mass":298.157,"inchikey":"RSDDHGSKLOSQFK-RVDMUPIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.167358,"smiles":"CC(C)=CCC\\C(C)=C\\COC1=CC2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00000849019","spectrum_index":2664},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347366-03!2,4,6-trihydroxy-5-[1-(4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl)-3-methylbutyl]benzene-1,3-dicarbaldehyde","exact_mass":472.282,"inchikey":"IBLPTYJTKWQCDX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":473.294006,"smiles":"CC(C)CC(C1=C(O)C(C=O)=C(O)C(C=O)=C1O)C2(C)CCC3C2C4C(CCC3(C)O)C4(C)C","spectrum_id":"CCMSLIB00000849020","spectrum_index":2665},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347366-03!2,4,6-trihydroxy-5-[1-(4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl)-3-methylbutyl]benzene-1,3-dicarbaldehyde","exact_mass":472.282,"inchikey":"IBLPTYJTKWQCDX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.283478,"smiles":"CC(C)CC(C1=C(O)C(C=O)=C(O)C(C=O)=C1O)C2(C)CCC3C2C4C(CCC3(C)O)C4(C)C","spectrum_id":"CCMSLIB00000849021","spectrum_index":2666},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169327-02!3-(6-methoxy-1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","exact_mass":474.116,"inchikey":"GIWDXQUHEWOAQO-DODNOZFWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.127502,"smiles":"COC1=C(C=C2OCOC2=C1)C3=COC4=C(C=CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=C4)C3=O","spectrum_id":"CCMSLIB00000849024","spectrum_index":2667},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384759-01!5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methoxychromen-4-one","exact_mass":478.111,"inchikey":"VUGZODBTVLLVFQ-UKWZQOBBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.12262,"smiles":"COC1=C(OC2=CC(O)=CC(O)=C2C1=O)C3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(O)C=C3","spectrum_id":"CCMSLIB00000849025","spectrum_index":2668},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385100-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-2-methyl-4-oxochromen-7-yl)oxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate","exact_mass":520.194,"inchikey":"OUBDJJFZUQGQLU-ZHFYLPRNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.206299,"smiles":"CC1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](COC(=O)C4=CC[C@@H](CC4)C(C)(C)O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1","spectrum_id":"CCMSLIB00000849026","spectrum_index":2669},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385100-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-2-methyl-4-oxochromen-7-yl)oxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate","exact_mass":520.194,"inchikey":"OUBDJJFZUQGQLU-ZHFYLPRNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.195892,"smiles":"CC1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](COC(=O)C4=CC[C@@H](CC4)C(C)(C)O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1","spectrum_id":"CCMSLIB00000849027","spectrum_index":2670},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384841-01!2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":540.221,"inchikey":"NFUHNVZGHNEYRG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.221741,"smiles":"COC1=C(O)C=CC(=C1)C(O)C(CO)OC2=C(OC)C=C(CCCOC3OC(CO)C(O)C(O)C3O)C=C2","spectrum_id":"CCMSLIB00000849028","spectrum_index":2671},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384841-01!2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":540.221,"inchikey":"NFUHNVZGHNEYRG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":558.25946,"smiles":"COC1=C(O)C=CC(=C1)C(O)C(CO)OC2=C(OC)C=C(CCCOC3OC(CO)C(O)C(O)C3O)C=C2","spectrum_id":"CCMSLIB00000849029","spectrum_index":2672},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385164-01!5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","exact_mass":576.184,"inchikey":"NXVJTGLCCSFGAT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":594.2229,"smiles":"COC1=CC(=CC(OC)=C1OC)C2C3C(COC3=O)C(OC4OC(CO)C(O)C(O)C4O)C5=CC6=C(OCO6)C=C25","spectrum_id":"CCMSLIB00000849030","spectrum_index":2673},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168949-02!(2R,3R,4S,5S,6R)-2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":582.231,"inchikey":"PQQRNPDHSJDAGV-OVYNBQGTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":600.270996,"smiles":"COC1=CC(=CC(OC)=C1O)C2C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(CO)CC4=C2C(OC)=C(O)C(OC)=C4","spectrum_id":"CCMSLIB00000849031","spectrum_index":2674},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385188-01!5,7,8-trihydroxy-2-phenylchromen-4-one","exact_mass":270.053,"inchikey":"ZFKKRRMUPBBYRS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.063629,"smiles":"OC1=CC(O)=C2C(=O)C=C(OC2=C1O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000849032","spectrum_index":2675},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179884-02!4-(2,6-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid","exact_mass":282.147,"inchikey":"YCUWMGPYKGLQQF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.147156,"smiles":"CC(C)(O)CCCC(C)(O)C1=C(O)C=C(C=C1)C(O)=O","spectrum_id":"CCMSLIB00000849033","spectrum_index":2676},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180260-02!5,7-dihydroxy-2-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one","exact_mass":354.147,"inchikey":"ZTDRTMVBTLHQII-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.158783,"smiles":"COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(O)C(CC=C(C)C)=C3O","spectrum_id":"CCMSLIB00000849034","spectrum_index":2677},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385203-01!7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one","exact_mass":456.127,"inchikey":"FCJIWTZAADYCGI-LUFRPPBASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":474.165619,"smiles":"O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](OC3=CC=C4C=CC(=O)OC4=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849038","spectrum_index":2678},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169133-02![(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate","exact_mass":788.107,"inchikey":"RATQVALKDAUZBW-XPMKZLBQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":806.150757,"smiles":"O[C@@H]1[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@H]1OC(=O)C5=CC(O)=C(O)C(O)=C5","spectrum_id":"CCMSLIB00000849039","spectrum_index":2679},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169631-03!(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one","exact_mass":434.121,"inchikey":"QKPKGDDHOGIEOO-JVVVWQBKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.126984,"smiles":"OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C3=C(O[C@@H](CC3=O)C4=CC=C(O)C=C4)C=C2O","spectrum_id":"CCMSLIB00000849040","spectrum_index":2680},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169323-02!(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":518.179,"inchikey":"GRDZTDZJQRPNCN-YIANMRPHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.183166,"smiles":"CC(C)=CCC1=C2O[C@@H]([C@@H](O)C(=O)C2=C(O)C=C1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000849041","spectrum_index":2681},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169787-02!(2R,3R,4S,5S,6R)-2-[[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":522.21,"inchikey":"AHYOMNWKYGMYMB-CIEFDVMPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.214966,"smiles":"COC1=CC2=C(C=C1O)C(C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(CO)C2)C4=CC(OC)=C(O)C=C4","spectrum_id":"CCMSLIB00000849042","spectrum_index":2682},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169787-02!(2R,3R,4S,5S,6R)-2-[[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","exact_mass":522.21,"inchikey":"AHYOMNWKYGMYMB-CIEFDVMPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.242249,"smiles":"COC1=CC2=C(C=C1O)C(C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(CO)C2)C4=CC(OC)=C(O)C=C4","spectrum_id":"CCMSLIB00000849043","spectrum_index":2683},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384722-02!5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":610.19,"inchikey":"QUQPHWDTPGMPEX-LLHRBZKSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.194214,"smiles":"COC1=C(O)C=C(C=C1)C2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2","spectrum_id":"CCMSLIB00000849044","spectrum_index":2684},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384722-02!5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one","exact_mass":610.19,"inchikey":"QUQPHWDTPGMPEX-LLHRBZKSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":628.221313,"smiles":"COC1=C(O)C=C(C=C1)C2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2","spectrum_id":"CCMSLIB00000849045","spectrum_index":2685},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385303-01!(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[4-[(3R,6S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-2-(hydroxymethyl)oxane-3,4-diol","exact_mass":712.258,"inchikey":"BUBVKRMIMSPLND-YTDPHAJHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":730.28595,"smiles":"COC1=CC(=CC(OC)=C1O)[C@@H]2OCC3C2CO[C@@H]3C4=CC(OC)=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6OC[C@](O)(CO)[C@H]6O)C(OC)=C4","spectrum_id":"CCMSLIB00000849048","spectrum_index":2686},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Maribasin B  (NCGC00385300-01!3-[6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(10-methylundecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide)","exact_mass":1056.56,"inchikey":"VOKIDQKEGUPZBD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1057.558716,"smiles":"CC(C)CCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)N3CCCC3C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N1","spectrum_id":"CCMSLIB00000849049","spectrum_index":2687},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385300-01!3-[6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(10-methylundecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide","exact_mass":1056.56,"inchikey":"VOKIDQKEGUPZBD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1074.587402,"smiles":"CC(C)CCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)N3CCCC3C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N1","spectrum_id":"CCMSLIB00000849050","spectrum_index":2688},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385300-01!3-[6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(10-methylundecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide","exact_mass":1056.56,"inchikey":"VOKIDQKEGUPZBD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1079.53894,"smiles":"CC(C)CCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)N3CCCC3C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N1","spectrum_id":"CCMSLIB00000849051","spectrum_index":2689},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385014-01!(E)-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one","exact_mass":296.141,"inchikey":"IHZRLGRBBLFVBQ-JXMROGBWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.148926,"smiles":"OC1=CC=C(CCCCC(=O)\\C=C\\C2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00000849052","spectrum_index":2690},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169651-02!(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one","exact_mass":304.204,"inchikey":"LGZSMXJRMTYABD-MDZDMXLPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.211578,"smiles":"CCCCCCC\\C=C\\C(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00000849053","spectrum_index":2691},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169651-02!(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one","exact_mass":304.204,"inchikey":"LGZSMXJRMTYABD-MDZDMXLPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":322.238098,"smiles":"CCCCCCC\\C=C\\C(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00000849054","spectrum_index":2692},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00186665-03!2,3-dihydroxypropyl hexadecanoate","exact_mass":330.277,"inchikey":"QHZLMUACJMDIAE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.285065,"smiles":"CCCCCCCCCCCCCCCC(=O)OCC(O)CO","spectrum_id":"CCMSLIB00000849055","spectrum_index":2693},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00186665-03!2,3-dihydroxypropyl hexadecanoate","exact_mass":330.277,"inchikey":"QHZLMUACJMDIAE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.273987,"smiles":"CCCCCCCCCCCCCCCC(=O)OCC(O)CO","spectrum_id":"CCMSLIB00000849056","spectrum_index":2694},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00186665-03!2,3-dihydroxypropyl hexadecanoate","exact_mass":330.277,"inchikey":"QHZLMUACJMDIAE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":348.311676,"smiles":"CCCCCCCCCCCCCCCC(=O)OCC(O)CO","spectrum_id":"CCMSLIB00000849057","spectrum_index":2695},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385007-01!methyl 4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxybenzoate","exact_mass":378.131,"inchikey":"OMXHMQVMAFLCRB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.128784,"smiles":"COC(=O)C1=CC(OC)=C(OC(CO)C(O)C2=CC=C(O)C(OC)=C2)C=C1","spectrum_id":"CCMSLIB00000849058","spectrum_index":2696},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385007-01!methyl 4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxybenzoate","exact_mass":378.131,"inchikey":"OMXHMQVMAFLCRB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":396.166199,"smiles":"COC(=O)C1=CC(OC)=C(OC(CO)C(O)C2=CC=C(O)C(OC)=C2)C=C1","spectrum_id":"CCMSLIB00000849059","spectrum_index":2697},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095966-03!4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","exact_mass":414.131,"inchikey":"HLBPOYVRLSXWJJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.139465,"smiles":"COC1=CC(=CC(OC)=C1OC)C2C3C(COC3=O)CC4=C2C=C5OCOC5=C4O","spectrum_id":"CCMSLIB00000849060","spectrum_index":2698},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095966-03!4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","exact_mass":414.131,"inchikey":"HLBPOYVRLSXWJJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.128387,"smiles":"COC1=CC(=CC(OC)=C1OC)C2C3C(COC3=O)CC4=C2C=C5OCOC5=C4O","spectrum_id":"CCMSLIB00000849061","spectrum_index":2699},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095966-03!4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","exact_mass":414.131,"inchikey":"HLBPOYVRLSXWJJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.165588,"smiles":"COC1=CC(=CC(OC)=C1OC)C2C3C(COC3=O)CC4=C2C=C5OCOC5=C4O","spectrum_id":"CCMSLIB00000849062","spectrum_index":2700},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385025-01!2-[4-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid","exact_mass":538.111,"inchikey":"HHKGQYGYEDKXNE-XBXARRHUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":556.145569,"smiles":"OC(=O)\\C=C\\C1=C2C(C(OC2=C(O)C=C1)C3=CC(O)=C(O)C=C3)C(=O)OC(CC4=CC(O)=C(O)C=C4)C(O)=O","spectrum_id":"CCMSLIB00000849063","spectrum_index":2701},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384524-01!5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-3-methoxychromen-4-one","exact_mass":448.101,"inchikey":"ASKKBGQVSVTIAW-HVQFUZGHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.112213,"smiles":"COC1=C(OC2=CC(O)=CC(O)=C2C1=O)C3=CC(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)=C(O)C=C3","spectrum_id":"CCMSLIB00000849064","spectrum_index":2702},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347854-02!(3R,4S,5R)-4-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid","exact_mass":478.075,"inchikey":"GASRJYBPBZZTBO-IIDMSEBBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.086517,"smiles":"O[C@H]1[C@@H](CC(=C[C@H]1OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=O)OC(=O)C3=CC(O)=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000849065","spectrum_index":2703},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384835-01![4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoate","exact_mass":494.179,"inchikey":"FKMASXTUONWHBB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":512.217041,"smiles":"CC(O)C(O)(CC1=CC=C(O)C=C1)C(=O)OCC2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2","spectrum_id":"CCMSLIB00000849066","spectrum_index":2704},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384980-01!5-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid","exact_mass":494.273,"inchikey":"VQFBAKAPQDNJNU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":495.28479,"smiles":"CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(O)=O)C(C)CC)OC1OC(CO)C(O)C1O","spectrum_id":"CCMSLIB00000849068","spectrum_index":2705},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384980-01!5-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid","exact_mass":494.273,"inchikey":"VQFBAKAPQDNJNU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":477.274017,"smiles":"CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(O)=O)C(C)CC)OC1OC(CO)C(O)C1O","spectrum_id":"CCMSLIB00000849069","spectrum_index":2706},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384980-01!5-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid","exact_mass":494.273,"inchikey":"VQFBAKAPQDNJNU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":512.311279,"smiles":"CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(O)=O)C(C)CC)OC1OC(CO)C(O)C1O","spectrum_id":"CCMSLIB00000849070","spectrum_index":2707},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384690-01!","exact_mass":662.016,"inchikey":"GGRMGMVFFCJIEH-RHKSLXRLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":663.030029,"smiles":"COC1=C(OC2=CC(C=O)=CC=C2O)C=C(C=C1)C(=O)O[C@H]3C=COC=C4[C@@H](O)C56SSSS[C@H](N(C)C5=O)C(=O)N6[C@H]34","spectrum_id":"CCMSLIB00000849071","spectrum_index":2708},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384690-01!","exact_mass":662.016,"inchikey":"GGRMGMVFFCJIEH-RHKSLXRLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":680.055969,"smiles":"COC1=C(OC2=CC(C=O)=CC=C2O)C=C(C=C1)C(=O)O[C@H]3C=COC=C4[C@@H](O)C56SSSS[C@H](N(C)C5=O)C(=O)N6[C@H]34","spectrum_id":"CCMSLIB00000849072","spectrum_index":2709},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Tunicamycin V NCGC00180102-02!(E)-N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-13-methyltetradec-2-enamide","exact_mass":830.416,"inchikey":"MEYZYGMYMLNUHJ-WYMLVPIESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":831.433655,"smiles":"CC(C)CCCCCCCCC\\C=C\\C(=O)NC1C(OC2OC(CO)C(O)C(O)C2NC(C)=O)OC(CC(O)C3OC(C(O)C3O)N4C=CC(=O)NC4=O)C(O)C1O","spectrum_id":"CCMSLIB00000849073","spectrum_index":2710},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163568-03!7-hydroxy-2-phenylchromen-4-one","exact_mass":238.063,"inchikey":"MQGPSCMMNJKMHQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.072754,"smiles":"OC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000849074","spectrum_index":2711},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384644-01!(E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-phenylprop-2-en-1-one","exact_mass":344.126,"inchikey":"LETBAZLAGJPEIM-ZHACJKMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.136871,"smiles":"COC1=C(O)C(C(=O)\\C=C\\C2=CC=CC=C2)=C(OC)C(OC)=C1OC","spectrum_id":"CCMSLIB00000849076","spectrum_index":2712},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384644-01!(E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-phenylprop-2-en-1-one","exact_mass":344.126,"inchikey":"LETBAZLAGJPEIM-ZHACJKMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.126099,"smiles":"COC1=C(O)C(C(=O)\\C=C\\C2=CC=CC=C2)=C(OC)C(OC)=C1OC","spectrum_id":"CCMSLIB00000849077","spectrum_index":2713},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180546-03!","exact_mass":369.121,"inchikey":"XUYAYNRYVXHNOQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":370.13208,"smiles":"CN1CCC2=C(C=C3OCOC3=C2)C4OC(O)C5=C(C=CC6=C5OCO6)C14","spectrum_id":"CCMSLIB00000849078","spectrum_index":2714},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180451-03!(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol","exact_mass":578.215,"inchikey":"AVAQRWVGWWNBIN-CUAUGLLKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.216431,"smiles":"COC1=CC2=C(C3=C(CO[C@@H](C)[C@H]3O)C(O)=C2C(OC)=C1)C4=C5C=C(OC)C=C(OC)C5=C(O)C6=C4[C@H](O)[C@H](C)OC6","spectrum_id":"CCMSLIB00000849079","spectrum_index":2715},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384508-01!2-[2-[(5R,6R,7S,9S,11R,18S,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","exact_mass":721.388,"inchikey":"UVBUBMSSQKOIBE-SDFZSQMVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":722.39978,"smiles":"CCCC[C@@H](C)[C@@H](OC(=O)CC(CC(O)=O)C(O)=O)[C@H](C[C@@H](C)C[C@H](O)CCCCC(O)C[C@H](O)[C@H](C)N)OC(=O)CC(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000849080","spectrum_index":2716},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384651-01![(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","exact_mass":770.263,"inchikey":"IGQSSJMCEJLHAO-POHHJEECSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":788.300842,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](OCCC3=CC=C(O)C(O)=C3)O[C@H](CO)[C@@H](OC(=O)\\C=C\\C4=CC=C(O)C(O)=C4)[C@@H]2O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849081","spectrum_index":2717},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180534-02!(2R)-7-hydroxy-8-(2-hydroxyethyl)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one","exact_mass":252.1,"inchikey":"MFMBOHMTFYYVAI-SSDOTTSWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.110016,"smiles":"COC1=C2C(=O)C[C@@H](C)OC2=C(CCO)C(O)=C1","spectrum_id":"CCMSLIB00000849082","spectrum_index":2718},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380233-01!1,3,6-trihydroxy-4-methoxyxanthen-9-one","exact_mass":274.048,"inchikey":"HHHJANBAZIPBMQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.057922,"smiles":"COC1=C(O)C=C(O)C2=C1OC3=CC(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00000849083","spectrum_index":2719},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347618-02!3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide","exact_mass":321.194,"inchikey":"AZUKRZGSIRBRCH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":322.204773,"smiles":"CC(C)CC(CO)NC(=O)CC(O)CC(=O)CC1=CC=CC=C1","spectrum_id":"CCMSLIB00000849084","spectrum_index":2720},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347618-02!3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide","exact_mass":321.194,"inchikey":"AZUKRZGSIRBRCH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.187469,"smiles":"CC(C)CC(CO)NC(=O)CC(O)CC(=O)CC1=CC=CC=C1","spectrum_id":"CCMSLIB00000849085","spectrum_index":2721},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380292-01!3-(2,4-dihydroxyphenyl)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one","exact_mass":406.178,"inchikey":"DPJZYONMQLGZJE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.189392,"smiles":"CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OC=C(C(=O)C2=C1)C3=CC=C(O)C=C3O","spectrum_id":"CCMSLIB00000849086","spectrum_index":2722},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380232-01!(2S,3S,4S,5R,6R)-6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-5-[(2R,3R,4S,5R,6S)-6-carboxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid","exact_mass":1130.52,"inchikey":"SCYOPUASTLSBIC-ROLYLJTKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1131.528564,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@@H]3[C@@H](O)[C@@H](O)[C@H](O[C@H]3O[C@@H]4[C@@H](O)[C@H](O)[C@H](O[C@H]4OC5CCC6(C)C(CCC7(C)C6CC=C8C9CC(C)(CCC9(C)CCC78C)C(O)=O)C5(C)C)C(O)=O)C(O)=O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849087","spectrum_index":2723},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380231-01!5-[6-carboxy-3-[6-carboxy-4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-6-[[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxyoxane-2-carboxylic acid","exact_mass":1146.51,"inchikey":"MNGUOJFSPDEZLA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1147.524048,"smiles":"CC1OC(OC2C(O)C(O)C(OC2OC3C(O)C(O)C(OC3OC4C(O)C(O)C(OC4OC5CCC6(C)C(CCC7(C)C6CC=C8C9CC(C)(CCC9(C)CCC78C)C(O)=O)C5(C)CO)C(O)=O)C(O)=O)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000849088","spectrum_index":2724},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00096019-05!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one","exact_mass":288.063,"inchikey":"SBHXYTNGIZCORC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.069702,"smiles":"OC1=CC(O)=C2C(=O)CC(OC2=C1)C3=CC=C(O)C(O)=C3","spectrum_id":"CCMSLIB00000849089","spectrum_index":2725},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384961-01!2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methylchromen-4-one","exact_mass":316.058,"inchikey":"DTFXGVGIKNSCQQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.064453,"smiles":"CC1=C(O)C=C2OC(=C(O)C(=O)C2=C1O)C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00000849090","spectrum_index":2726},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384938-01!4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[g][1]benzofuran-6,9-dione","exact_mass":370.178,"inchikey":"GDSPWZDWUUGKIM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.184113,"smiles":"COC1=C(C)C(=O)C2=C(C=C(O)C3=C2OC(C)C3(C)CCC=C(C)C)C1=O","spectrum_id":"CCMSLIB00000849091","spectrum_index":2727},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384922-01!(2R,3R,4S,5S,6R)-2-octoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol","exact_mass":424.231,"inchikey":"IBSNNVHJJNLMJW-BMVMOQKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":442.26178,"smiles":"CCCCCCCCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849092","spectrum_index":2728},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180643-03!2-[(2S,3S,4S)-3-[(1S)-1-acetyloxyethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid","exact_mass":464.153,"inchikey":"OPKOYMHTMXJHRG-GUDQPSSMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.157288,"smiles":"COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]([C@H](C)OC(C)=O)[C@@H]1CC(O)=O","spectrum_id":"CCMSLIB00000849093","spectrum_index":2729},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180643-03!2-[(2S,3S,4S)-3-[(1S)-1-acetyloxyethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid","exact_mass":464.153,"inchikey":"OPKOYMHTMXJHRG-GUDQPSSMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":482.184479,"smiles":"COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]([C@H](C)OC(C)=O)[C@@H]1CC(O)=O","spectrum_id":"CCMSLIB00000849094","spectrum_index":2730},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170023-02!","exact_mass":482.121,"inchikey":"CYGIJEJDYJOUAN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":483.124603,"smiles":"COC1=C(O)C=CC(=C1)C2C3COC4(O)C3C(=CC2C4=O)C5OC6=C(C(=O)C5O)C(O)=CC(O)=C6","spectrum_id":"CCMSLIB00000849095","spectrum_index":2731},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170023-02!","exact_mass":482.121,"inchikey":"CYGIJEJDYJOUAN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":500.151123,"smiles":"COC1=C(O)C=CC(=C1)C2C3COC4(O)C3C(=CC2C4=O)C5OC6=C(C(=O)C5O)C(O)=CC(O)=C6","spectrum_id":"CCMSLIB00000849096","spectrum_index":2732},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384970-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one","exact_mass":564.148,"inchikey":"UXJMURXRQMFKJC-JEQMPJCPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.151978,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OC3=CC(O)=C4C(=O)C(=COC4=C3)C5=CC=C(O)C=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000849097","spectrum_index":2733},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017337-18_C18H27NO3_6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6E)-","exact_mass":305.199,"inchikey":"YKPUWZUDDOIDPM-SOFGYWHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":306.20694,"smiles":"COC1=C(O)C=CC(=C1)CNC(=O)CCCC\\C=C\\C(C)C","spectrum_id":"CCMSLIB00000849189","spectrum_index":2734},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017337-18_C18H27NO3_6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6E)-","exact_mass":305.199,"inchikey":"YKPUWZUDDOIDPM-SOFGYWHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":328.188263,"smiles":"COC1=C(O)C=CC(=C1)CNC(=O)CCCC\\C=C\\C(C)C","spectrum_id":"CCMSLIB00000849193","spectrum_index":2735},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169002-05_C14H16O3_(6S)-4-Methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one","exact_mass":232.11,"inchikey":"VOOYTQRREPYRIW-LBPRGKRZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.117477,"smiles":"CO\\C1=C\\C(=O)O[C@@H](CCC2=CC=CC=C2)C1","spectrum_id":"CCMSLIB00000849195","spectrum_index":2736},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169002-05_C14H16O3_(6S)-4-Methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one","exact_mass":232.11,"inchikey":"VOOYTQRREPYRIW-LBPRGKRZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.099258,"smiles":"CO\\C1=C\\C(=O)O[C@@H](CCC2=CC=CC=C2)C1","spectrum_id":"CCMSLIB00000849198","spectrum_index":2737},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385007-02_C19H22O8_Methyl 4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-propanyl]oxy}-3-methoxybenzoate","exact_mass":378.131,"inchikey":"OMXHMQVMAFLCRB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.128967,"smiles":"COC(=O)C1=CC(=C(OC(CO)C(O)C2=CC=C(O)C(=C2)OC)C=C1)OC","spectrum_id":"CCMSLIB00000849201","spectrum_index":2738},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385007-02_C19H22O8_Methyl 4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-propanyl]oxy}-3-methoxybenzoate","exact_mass":378.131,"inchikey":"OMXHMQVMAFLCRB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.120941,"smiles":"COC(=O)C1=CC(=C(OC(CO)C(O)C2=CC=C(O)C(=C2)OC)C=C1)OC","spectrum_id":"CCMSLIB00000849204","spectrum_index":2739},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385198-01_C37H50O9_","exact_mass":638.345,"inchikey":"BSGBVUOHKNZIES-AHUAPBNYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":656.376648,"smiles":"CCC(C)C(=O)O[C@@H]1[C@@H]2[C@H](C/C(=C1/[C@H](C)CCCO)C)OC(=O)[C@]23C[C@@]\\45[C@H](C)C[C@H]6OC(=O)C(=C)[C@@H]6CC4=C(C)/[C@H]3[C@H]5OC(C)=O","spectrum_id":"CCMSLIB00000849207","spectrum_index":2740},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385198-01_C37H50O9_","exact_mass":638.345,"inchikey":"BSGBVUOHKNZIES-AHUAPBNYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":661.332459,"smiles":"CCC(C)C(=O)O[C@@H]1[C@@H]2[C@H](C/C(=C1/[C@H](C)CCCO)C)OC(=O)[C@]23C[C@@]\\45[C@H](C)C[C@H]6OC(=O)C(=C)[C@@H]6CC4=C(C)/[C@H]3[C@H]5OC(C)=O","spectrum_id":"CCMSLIB00000849211","spectrum_index":2741},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385201-01_C45H76O19_(2alpha,3beta,5alpha,25S)-26-(beta-D-Glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":920.498,"inchikey":"WROHFEWGWYQNPP-UCDNYNMGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":903.489685,"smiles":"CC(CCC1(O)OC2CC3C4CCC5CC(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)C(O)CC5(C)C4CCC3(C)C2C1C)CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000849213","spectrum_index":2742},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385201-01_C45H76O19_(2alpha,3beta,5alpha,25S)-26-(beta-D-Glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":920.498,"inchikey":"WROHFEWGWYQNPP-UCDNYNMGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":943.482361,"smiles":"CC(CCC1(O)OC2CC3C4CCC5CC(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)C(O)CC5(C)C4CCC3(C)C2C1C)CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000849217","spectrum_index":2743},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385202-01_C21H28O9_","exact_mass":424.173,"inchikey":"BUHZTPLXMFRPCK-MBYZHAKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.180542,"smiles":"C[C@@H]1[C@@H]2CC\\C(=C3/[C@@H]([C@H]2OC1=O)\\C(=C/C3=O)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C","spectrum_id":"CCMSLIB00000849219","spectrum_index":2744},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385202-01_C21H28O9_","exact_mass":424.173,"inchikey":"BUHZTPLXMFRPCK-MBYZHAKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.162567,"smiles":"C[C@@H]1[C@@H]2CC\\C(=C3/[C@@H]([C@H]2OC1=O)\\C(=C/C3=O)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C","spectrum_id":"CCMSLIB00000849222","spectrum_index":2745},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385206-01_C20H26O7_(3aR,4S,10Z,11aR)-10-(Hydroxymethyl)-6-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 3,4-dihydroxy-2-methylenebutanoate","exact_mass":378.168,"inchikey":"ZTDFZLVUIVPZDU-VANIYDICSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.175751,"smiles":"CC/1=C\\CC\\C(=C\\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)C(O)CO)CO","spectrum_id":"CCMSLIB00000849225","spectrum_index":2746},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385206-01_C20H26O7_(3aR,4S,10Z,11aR)-10-(Hydroxymethyl)-6-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 3,4-dihydroxy-2-methylenebutanoate","exact_mass":378.168,"inchikey":"ZTDFZLVUIVPZDU-VANIYDICSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.157196,"smiles":"CC/1=C\\CC\\C(=C\\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)C(O)CO)CO","spectrum_id":"CCMSLIB00000849228","spectrum_index":2747},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385207-01_C32H40O16_(1aS,1bS,2S,5aR,6S,6aS)-6-({3-O-Acetyl-6-deoxy-4-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-L-glucopyranoside","exact_mass":680.232,"inchikey":"WUGDNVYHMVWTAP-GVBKEDSZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":698.263367,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(=O)/C=C/C6=CC=CC=C6","spectrum_id":"CCMSLIB00000849232","spectrum_index":2748},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385207-01_C32H40O16_(1aS,1bS,2S,5aR,6S,6aS)-6-({3-O-Acetyl-6-deoxy-4-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-L-glucopyranoside","exact_mass":680.232,"inchikey":"WUGDNVYHMVWTAP-GVBKEDSZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":703.218567,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(=O)/C=C/C6=CC=CC=C6","spectrum_id":"CCMSLIB00000849234","spectrum_index":2749},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384778-01_C26H38O8_(2E)-5-(3-Acetoxy-6-hydroxy-5,5,8a-trimethyl-2-methylene-4-oxodecahydro-1-naphthalenyl)-3-methyl-2-pentene-1,4-diyl diacetate","exact_mass":478.257,"inchikey":"GACFDZLPFMYBKT-GXDHUFHOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":496.29187,"smiles":"CC(=O)OC/C=C(C)/C(CC1C(=C)C(OC(C)=O)C(=O)C2C(C)(C)C(O)CCC12C)OC(C)=O","spectrum_id":"CCMSLIB00000849237","spectrum_index":2750},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384778-01_C26H38O8_(2E)-5-(3-Acetoxy-6-hydroxy-5,5,8a-trimethyl-2-methylene-4-oxodecahydro-1-naphthalenyl)-3-methyl-2-pentene-1,4-diyl diacetate","exact_mass":478.257,"inchikey":"GACFDZLPFMYBKT-GXDHUFHOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":501.246826,"smiles":"CC(=O)OC/C=C(C)/C(CC1C(=C)C(OC(C)=O)C(=O)C2C(C)(C)C(O)CCC12C)OC(C)=O","spectrum_id":"CCMSLIB00000849240","spectrum_index":2751},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384782-01_C36H56O11_2,23-Dihydroxy-29-methoxy-29-oxo-3-(pentopyranosyloxy)olean-12-en-28-oic acid","exact_mass":664.382,"inchikey":"SFZVDNKTWPZIJG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":665.388672,"smiles":"COC(=O)C1(C)CCC2(CCC3(C)\\C(=C/CC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O","spectrum_id":"CCMSLIB00000849243","spectrum_index":2752},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384782-01_C36H56O11_2,23-Dihydroxy-29-methoxy-29-oxo-3-(pentopyranosyloxy)olean-12-en-28-oic acid","exact_mass":664.382,"inchikey":"SFZVDNKTWPZIJG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":687.371094,"smiles":"COC(=O)C1(C)CCC2(CCC3(C)\\C(=C/CC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O","spectrum_id":"CCMSLIB00000849246","spectrum_index":2753},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384783-01_C17H25NO3_Azepino[3,2,1-hi]furo[3,2-e]indole-2,10-dione, 8-ethyldodecahydro-11-methyl-, (7aR,8R,8aS,11S,11aS,11bR,11cR)-","exact_mass":291.183,"inchikey":"HHVLDUXNKYSRDS-BKQRAYJDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":292.192108,"smiles":"CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@H](CC3=O)[C@H]4[C@H](C)C(=O)O[C@@H]14","spectrum_id":"CCMSLIB00000849249","spectrum_index":2754},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384788-01_C20H26O7_Butanoic acid, 2-methyl-, (10Z)-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-5-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester","exact_mass":378.168,"inchikey":"KZJNKSIORXDWKH-MHJUWLSHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.158539,"smiles":"CCC(C)C(=O)OC1C(O)\\C(=C\\CC\\C(=C\\C2OC(=O)C(=C)C12)CO)C=O","spectrum_id":"CCMSLIB00000849252","spectrum_index":2755},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384792-01_C16H20O9_2-Propenoic acid, 3-[2-(beta-D-glucopyranosyloxy)-4-methoxyphenyl]-, (2Z)-","exact_mass":356.111,"inchikey":"FQWZGEBZILOCET-QEQKPWIDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.14566,"smiles":"COC1=CC=C(\\C=C/C(O)=O)C(=C1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000849255","spectrum_index":2756},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384792-01_C16H20O9_2-Propenoic acid, 3-[2-(beta-D-glucopyranosyloxy)-4-methoxyphenyl]-, (2Z)-","exact_mass":356.111,"inchikey":"FQWZGEBZILOCET-QEQKPWIDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.101044,"smiles":"COC1=CC=C(\\C=C/C(O)=O)C(=C1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000849258","spectrum_index":2757},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384793-01_C32H52O14_(2E,6E,10E)-14-{[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-4-hydroxy-2,6,10,14-tetramethyl-2,6,10,15-hexadecatetraenoic acid","exact_mass":660.336,"inchikey":"ISQUNAAALVXWGI-PGEVILJJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":678.368347,"smiles":"CC(/CC/C=C(C)/CC(O)/C=C(C)/C(O)=O)=C\\CCC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C","spectrum_id":"CCMSLIB00000849261","spectrum_index":2758},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384793-01_C32H52O14_(2E,6E,10E)-14-{[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-4-hydroxy-2,6,10,14-tetramethyl-2,6,10,15-hexadecatetraenoic acid","exact_mass":660.336,"inchikey":"ISQUNAAALVXWGI-PGEVILJJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":683.323791,"smiles":"CC(/CC/C=C(C)/CC(O)/C=C(C)/C(O)=O)=C\\CCC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C","spectrum_id":"CCMSLIB00000849264","spectrum_index":2759},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169628-03_C23H36O6_1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, (betaR,deltaR,1S,2S,8S,8aR)-","exact_mass":408.251,"inchikey":"BOZILQFLQYBIIY-PJXHJHJJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.258301,"smiles":"CCC(C)C(=O)O[C@H]1CC\\C=C2\\C=C/[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12","spectrum_id":"CCMSLIB00000849268","spectrum_index":2760},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169628-03_C23H36O6_1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, (betaR,deltaR,1S,2S,8S,8aR)-","exact_mass":408.251,"inchikey":"BOZILQFLQYBIIY-PJXHJHJJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.247559,"smiles":"CCC(C)C(=O)O[C@H]1CC\\C=C2\\C=C/[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12","spectrum_id":"CCMSLIB00000849271","spectrum_index":2761},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169628-03_C23H36O6_1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, (betaR,deltaR,1S,2S,8S,8aR)-","exact_mass":408.251,"inchikey":"BOZILQFLQYBIIY-PJXHJHJJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.240265,"smiles":"CCC(C)C(=O)O[C@H]1CC\\C=C2\\C=C/[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12","spectrum_id":"CCMSLIB00000849273","spectrum_index":2762},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347538-02_C21H26O5_15,16-Dimethoxytricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,17-triol","exact_mass":358.178,"inchikey":"UTKZLHKWTSXNQI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.185486,"smiles":"COC1=C(O)C2=CC(=C1OC)CCCCC(O)CCC3=CC=C(O)C2=C3","spectrum_id":"CCMSLIB00000849276","spectrum_index":2763},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380405-01_C24H35NO5_1H-Cycloundec[d]isoindole-1,12,15-trione, 2,3,3a,4,6a,9,10,11,13,14-decahydro-11,13-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (7E)-","exact_mass":417.252,"inchikey":"KBJKWXDTUOJWAI-UKTHLTGXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.259094,"smiles":"CC(C)CC1NC(=O)C23C(/C=C(\\C)CCC(O)C(=O)C(O)CC2=O)\\C=C(C)/C(C)C13","spectrum_id":"CCMSLIB00000849279","spectrum_index":2764},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380405-01_C24H35NO5_1H-Cycloundec[d]isoindole-1,12,15-trione, 2,3,3a,4,6a,9,10,11,13,14-decahydro-11,13-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (7E)-","exact_mass":417.252,"inchikey":"KBJKWXDTUOJWAI-UKTHLTGXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.248199,"smiles":"CC(C)CC1NC(=O)C23C(/C=C(\\C)CCC(O)C(=O)C(O)CC2=O)\\C=C(C)/C(C)C13","spectrum_id":"CCMSLIB00000849282","spectrum_index":2765},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380409-01_C16H22O7_(4E)-7-Acetoxy-6-hydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl (2E)-2-butenoate","exact_mass":326.137,"inchikey":"GXBAKQFLYWSOJH-YTXTXJHMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.144226,"smiles":"C\\C=C\\C(=O)OC1/C=C/C(O)C(CCC(=O)OC1C)OC(C)=O","spectrum_id":"CCMSLIB00000849285","spectrum_index":2766},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380409-01_C16H22O7_(4E)-7-Acetoxy-6-hydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl (2E)-2-butenoate","exact_mass":326.137,"inchikey":"GXBAKQFLYWSOJH-YTXTXJHMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.170441,"smiles":"C\\C=C\\C(=O)OC1/C=C/C(O)C(CCC(=O)OC1C)OC(C)=O","spectrum_id":"CCMSLIB00000849288","spectrum_index":2767},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380409-01_C16H22O7_(4E)-7-Acetoxy-6-hydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl (2E)-2-butenoate","exact_mass":326.137,"inchikey":"GXBAKQFLYWSOJH-YTXTXJHMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.125916,"smiles":"C\\C=C\\C(=O)OC1/C=C/C(O)C(CCC(=O)OC1C)OC(C)=O","spectrum_id":"CCMSLIB00000849291","spectrum_index":2768},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380410-01_C15H20O5_(11xi)-4,7-Dihydroxy-12,13-epoxytrichothec-9-en-8-one","exact_mass":280.131,"inchikey":"RSFFUWNYMOEBFP-VYUPKBRNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.127533,"smiles":"CC/1=C/C2OC3CC(O)[C@](C)([C@@]2(C)C(O)C1=O)[C@]34CO4","spectrum_id":"CCMSLIB00000849295","spectrum_index":2769},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380410-01_C15H20O5_(11xi)-4,7-Dihydroxy-12,13-epoxytrichothec-9-en-8-one","exact_mass":280.131,"inchikey":"RSFFUWNYMOEBFP-VYUPKBRNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.120056,"smiles":"CC/1=C/C2OC3CC(O)[C@](C)([C@@]2(C)C(O)C1=O)[C@]34CO4","spectrum_id":"CCMSLIB00000849297","spectrum_index":2770},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380418-01_C30H46O8_(1alpha,2alpha,3beta,5xi,9xi,13xi,14xi,18xi)-1,2,3,22,23,29-Hexahydroxy-13,27-cycloolean-11-en-28-oic acid","exact_mass":534.319,"inchikey":"IXIMDUAPYHOVHL-QQQCTMDWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.325928,"smiles":"CC1(CO)CC(O)[C@@]2(CCC34CC3(\\C=C/C5[C@@]4(C)CCC6C(C)(CO)[C@@H](O)[C@H](O)[C@H](O)[C@]56C)C2C1)C(O)=O","spectrum_id":"CCMSLIB00000849300","spectrum_index":2771},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380418-01_C30H46O8_(1alpha,2alpha,3beta,5xi,9xi,13xi,14xi,18xi)-1,2,3,22,23,29-Hexahydroxy-13,27-cycloolean-11-en-28-oic acid","exact_mass":534.319,"inchikey":"IXIMDUAPYHOVHL-QQQCTMDWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.315186,"smiles":"CC1(CO)CC(O)[C@@]2(CCC34CC3(\\C=C/C5[C@@]4(C)CCC6C(C)(CO)[C@@H](O)[C@H](O)[C@H](O)[C@]56C)C2C1)C(O)=O","spectrum_id":"CCMSLIB00000849303","spectrum_index":2772},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380419-01_C19H24O8S_3-[(11,13-Dihydroxy-4-methyl-2,10-dioxo-1,4,5,6,7,8,9,10-octahydro-2H-3-benzoxacyclododecin-8-yl)sulfanyl]-2-hydroxypropanoic acid","exact_mass":412.119,"inchikey":"XQMZRINLFAOTEN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.126282,"smiles":"CC1CCCC(CC(=O)C2=C(O)C=C(O)C=C2CC(=O)O1)SCC(O)C(O)=O","spectrum_id":"CCMSLIB00000849306","spectrum_index":2773},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380419-01_C19H24O8S_3-[(11,13-Dihydroxy-4-methyl-2,10-dioxo-1,4,5,6,7,8,9,10-octahydro-2H-3-benzoxacyclododecin-8-yl)sulfanyl]-2-hydroxypropanoic acid","exact_mass":412.119,"inchikey":"XQMZRINLFAOTEN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":430.152863,"smiles":"CC1CCCC(CC(=O)C2=C(O)C=C(O)C=C2CC(=O)O1)SCC(O)C(O)=O","spectrum_id":"CCMSLIB00000849309","spectrum_index":2774},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380419-01_C19H24O8S_3-[(11,13-Dihydroxy-4-methyl-2,10-dioxo-1,4,5,6,7,8,9,10-octahydro-2H-3-benzoxacyclododecin-8-yl)sulfanyl]-2-hydroxypropanoic acid","exact_mass":412.119,"inchikey":"XQMZRINLFAOTEN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.107788,"smiles":"CC1CCCC(CC(=O)C2=C(O)C=C(O)C=C2CC(=O)O1)SCC(O)C(O)=O","spectrum_id":"CCMSLIB00000849312","spectrum_index":2775},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385750-01_C30H44O3_(22E,24E)-3-Oxo-9,19-cyclolanosta-22,24-dien-26-oic acid","exact_mass":452.329,"inchikey":"LGVFNUIOBMTGRA-GYZJEQCASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.338959,"smiles":"CC(\\C=C\\C=C(C)\\C(O)=O)C1CCC2(C)C3CCC4C(C)(C)C(=O)CCC45CC35CCC12C","spectrum_id":"CCMSLIB00000849317","spectrum_index":2776},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385750-01_C30H44O3_(22E,24E)-3-Oxo-9,19-cyclolanosta-22,24-dien-26-oic acid","exact_mass":452.329,"inchikey":"LGVFNUIOBMTGRA-GYZJEQCASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.328888,"smiles":"CC(\\C=C\\C=C(C)\\C(O)=O)C1CCC2(C)C3CCC4C(C)(C)C(=O)CCC45CC35CCC12C","spectrum_id":"CCMSLIB00000849318","spectrum_index":2777},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385751-01_C21H30O14_4-{[1-(Hexopyranosyloxy)-4-(methoxycarbonyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl]oxy}-3-hydroxy-4-oxobutanoic acid","exact_mass":506.164,"inchikey":"CTHCZGUSHSEEMA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":507.173096,"smiles":"COC(=O)C/1=C/OC(OC2OC(CO)C(O)C(O)C2O)C3C(C)C(CC13)OC(=O)C(O)CC(O)=O","spectrum_id":"CCMSLIB00000849321","spectrum_index":2778},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385751-01_C21H30O14_4-{[1-(Hexopyranosyloxy)-4-(methoxycarbonyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl]oxy}-3-hydroxy-4-oxobutanoic acid","exact_mass":506.164,"inchikey":"CTHCZGUSHSEEMA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":529.15448,"smiles":"COC(=O)C/1=C/OC(OC2OC(CO)C(O)C(O)C2O)C3C(C)C(CC13)OC(=O)C(O)CC(O)=O","spectrum_id":"CCMSLIB00000849324","spectrum_index":2779},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385753-01_C20H26N2O2_Cinchonan-9-ol, 10,11-dihydro-6'-methoxy-, (9S)-","exact_mass":326.199,"inchikey":"LJOQGZACKSYWCH-LHHVKLHASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.209564,"smiles":"CC[C@H]1C[N@@]2CC[C@H]1C[C@@H]2[C@@H](O)C3=C4C=C(OC)C=CC4=NC=C3","spectrum_id":"CCMSLIB00000849327","spectrum_index":2780},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385813-01_C25H30O12_(5E)-5-[2-(beta-D-Glucopyranosyloxy)ethylidene]-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}-2-methyl-1-cyclopentene-1-carboxylic acid","exact_mass":522.174,"inchikey":"DUNFAZHEVVYXGG-NZDLZCSJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.183228,"smiles":"COC1=C(O)C=CC(=C1)/C=C/C(=O)OC2C/C(=C(C(O)=O)\\C2=C/CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C","spectrum_id":"CCMSLIB00000849330","spectrum_index":2781},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385813-01_C25H30O12_(5E)-5-[2-(beta-D-Glucopyranosyloxy)ethylidene]-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}-2-methyl-1-cyclopentene-1-carboxylic acid","exact_mass":522.174,"inchikey":"DUNFAZHEVVYXGG-NZDLZCSJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.210144,"smiles":"COC1=C(O)C=CC(=C1)/C=C/C(=O)OC2C/C(=C(C(O)=O)\\C2=C/CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C","spectrum_id":"CCMSLIB00000849333","spectrum_index":2782},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385813-01_C25H30O12_(5E)-5-[2-(beta-D-Glucopyranosyloxy)ethylidene]-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}-2-methyl-1-cyclopentene-1-carboxylic acid","exact_mass":522.174,"inchikey":"DUNFAZHEVVYXGG-NZDLZCSJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.164978,"smiles":"COC1=C(O)C=CC(=C1)/C=C/C(=O)OC2C/C(=C(C(O)=O)\\C2=C/CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C","spectrum_id":"CCMSLIB00000849336","spectrum_index":2783},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385814-01_C21H30O10_(2E,4E)-5-{6-[(beta-D-Glucopyranosyloxy)methyl]-1-hydroxy-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl}-3-methyl-2,4-pentadienoic acid","exact_mass":442.184,"inchikey":"NDFUYJPVVCJYNZ-MVIFEUJBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.193878,"smiles":"CC(\\C=C\\C1(O)\\C(=C/C(=O)CC1(C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C)=C/C(O)=O","spectrum_id":"CCMSLIB00000849339","spectrum_index":2784},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385814-01_C21H30O10_(2E,4E)-5-{6-[(beta-D-Glucopyranosyloxy)methyl]-1-hydroxy-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl}-3-methyl-2,4-pentadienoic acid","exact_mass":442.184,"inchikey":"NDFUYJPVVCJYNZ-MVIFEUJBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.175842,"smiles":"CC(\\C=C\\C1(O)\\C(=C/C(=O)CC1(C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C)=C/C(O)=O","spectrum_id":"CCMSLIB00000849342","spectrum_index":2785},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385882-01_C19H28O5_Propanoic acid, 2-methyl-, (3aR,4S,7aR)-2,3,3a,4,7,7a-hexahydro-5-[(1S)-4-hydroxy-1-methylbutyl]-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester","exact_mass":336.194,"inchikey":"RIFCMNAQMNUNKD-ASTDHERZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.185516,"smiles":"CC(C)C(=O)O[C@H]\\1[C@H]2[C@@H](C\\C(=C1[C@@H](C)CCCO)C)OC(=O)C2=C","spectrum_id":"CCMSLIB00000849345","spectrum_index":2786},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169592-02_C29H46O4_3aH-Cyclopenta[a]chrysene-3a-carboxylic acid, 1-acetyleicosahydro-9-hydroxy-5a,5b,8,8,11a-pentamethyl-, (1R,3aS,5aR,5bR,9S,11aR)-","exact_mass":458.34,"inchikey":"RVMPLOSJMIQORE-XPDAHERZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":459.345947,"smiles":"CC(=O)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O","spectrum_id":"CCMSLIB00000849348","spectrum_index":2787},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169592-02_C29H46O4_3aH-Cyclopenta[a]chrysene-3a-carboxylic acid, 1-acetyleicosahydro-9-hydroxy-5a,5b,8,8,11a-pentamethyl-, (1R,3aS,5aR,5bR,9S,11aR)-","exact_mass":458.34,"inchikey":"RVMPLOSJMIQORE-XPDAHERZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.335938,"smiles":"CC(=O)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O","spectrum_id":"CCMSLIB00000849351","spectrum_index":2788},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347770-02_C23H32O4_Carda-5,20(22)-dienolide, 3,14-dihydroxy-, (3beta,9xi)-","exact_mass":372.23,"inchikey":"ZICGJBPBLVXOBM-XDZGWQDMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.236938,"smiles":"C[C@]\\12CC[C@H](O)CC1=C/C[C@@H]3C2CC[C@]4(C)[C@H](CC[C@]34O)\\C5=C\\C(=O)OC5","spectrum_id":"CCMSLIB00000849354","spectrum_index":2789},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384854-01_C23H34O4_Card-20(22)-enolide, 3,14-dihydroxy-, (3beta,5alpha)-","exact_mass":374.246,"inchikey":"XZTUSOXSLKTKJQ-CIXPXFMPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.252777,"smiles":"C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)/C5=C/C(=O)OC5","spectrum_id":"CCMSLIB00000849358","spectrum_index":2790},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384857-01_C25H33Cl2N5O6_17,18-Dichloro-3,13-diethyl-6-(hydroxymethyl)-9-phenyldodecahydropyrrolo[1,2-d][1,4,7,10,13]pentaazacyclohexadecine-1,4,7,11,14(8H)-pentone","exact_mass":569.181,"inchikey":"YWGAKIGNXGAAQR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":570.185913,"smiles":"CCC1NC(=O)C2C(Cl)C(Cl)CN2C(=O)C(CC)NC(=O)CC(NC(=O)C(CO)NC1=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000849360","spectrum_index":2791},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384857-01_C25H33Cl2N5O6_17,18-Dichloro-3,13-diethyl-6-(hydroxymethyl)-9-phenyldodecahydropyrrolo[1,2-d][1,4,7,10,13]pentaazacyclohexadecine-1,4,7,11,14(8H)-pentone","exact_mass":569.181,"inchikey":"YWGAKIGNXGAAQR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":592.167114,"smiles":"CCC1NC(=O)C2C(Cl)C(Cl)CN2C(=O)C(CC)NC(=O)CC(NC(=O)C(CO)NC1=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000849363","spectrum_index":2792},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384860-01_C16H14O5_6H-Benzofuro[3,2-c][1]benzopyran-4,9-diol, 6a,11a-dihydro-3-methoxy-, (6aR,11aR)-","exact_mass":286.084,"inchikey":"QDFJNOVWEADTGJ-NHYWBVRUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.091156,"smiles":"COC1=CC=C2[C@@H]3OC4=C(C=CC(=C4)O)[C@@H]3COC2=C1O","spectrum_id":"CCMSLIB00000849366","spectrum_index":2793},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384861-01_C16H22O9_Methyl 4-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-3,5-dimethoxybenzoate","exact_mass":358.126,"inchikey":"DNTCXDVSHGJREC-BEUGDGFMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.160187,"smiles":"COC(=O)C1=CC(=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(=C1)OC)OC","spectrum_id":"CCMSLIB00000849370","spectrum_index":2794},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168838-03_C30H46O5_(1R,2S,5aR,5bR,7aS,10R,12bR)-2-Hydroxy-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid","exact_mass":486.335,"inchikey":"WLCHQSHZHFLMJH-GAVPBTRYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343353,"smiles":"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@]5(C)C(CC[C@@]34C)C(C)(C)[C@@H](O)[C@@H]5C(O)=O)C12)C(O)=O","spectrum_id":"CCMSLIB00000849372","spectrum_index":2795},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380770-01_C20H22N2O10_Uridine, 2'-acetate 3'-(4-hydroxy-2-methoxy-6-methylbenzoate)","exact_mass":450.127,"inchikey":"ULPUBSPPYRXUOZ-BNEJOLLZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.137085,"smiles":"COC1=C(C(=CC(=C1)O)C)C(=O)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2OC(C)=O)N3\\C=C/C(=O)NC3=O","spectrum_id":"CCMSLIB00000849375","spectrum_index":2796},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380772-01_C60H96O28_","exact_mass":1264.61,"inchikey":"FXTXPMZATQSMSG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1265.610718,"smiles":"CC1OC(OC2C(O)C(O)C(OCC3OC(OC(=O)C45CCC(C)(C)CC4C/6=C/CC7C8(C)CCC(OC9OC(C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C(O)=O)C(C)(C)C8CCC7(C)C6(C)CC5)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000849378","spectrum_index":2797},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380772-01_C60H96O28_","exact_mass":1264.61,"inchikey":"FXTXPMZATQSMSG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1287.590698,"smiles":"CC1OC(OC2C(O)C(O)C(OCC3OC(OC(=O)C45CCC(C)(C)CC4C/6=C/CC7C8(C)CCC(OC9OC(C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C(O)=O)C(C)(C)C8CCC7(C)C6(C)CC5)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000849381","spectrum_index":2798},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380773-01_C20H25ClO6_","exact_mass":396.134,"inchikey":"GOQQRZOTZSUDEC-ANKZSMJWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.143707,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=C\\C2=C(Cl)\\C(=O)C(C)(O)C(=O)C2(O)C(OC)O1","spectrum_id":"CCMSLIB00000849384","spectrum_index":2799},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380773-01_C20H25ClO6_","exact_mass":396.134,"inchikey":"GOQQRZOTZSUDEC-ANKZSMJWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.125641,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=C\\C2=C(Cl)\\C(=O)C(C)(O)C(=O)C2(O)C(OC)O1","spectrum_id":"CCMSLIB00000849388","spectrum_index":2800},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380774-01_C22H27ClO7_","exact_mass":438.145,"inchikey":"QBTPSJBCRQLPLW-PEGOPYGQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.154388,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=C\\C2=C(Cl)\\C(=O)C(C)(OC(C)=O)C(=O)C2(O)C(OC)O1","spectrum_id":"CCMSLIB00000849391","spectrum_index":2801},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380774-01_C22H27ClO7_","exact_mass":438.145,"inchikey":"QBTPSJBCRQLPLW-PEGOPYGQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.135895,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=C\\C2=C(Cl)\\C(=O)C(C)(OC(C)=O)C(=O)C2(O)C(OC)O1","spectrum_id":"CCMSLIB00000849394","spectrum_index":2802},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380775-01_C13H15N3O5_","exact_mass":293.101,"inchikey":"GQSKRVQYDWZFKS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":294.110168,"smiles":"CC(NC(=O)CC(O)=O)C(=O)NC1=CC=CC=C1C(N)=O","spectrum_id":"CCMSLIB00000849397","spectrum_index":2803},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380775-01_C13H15N3O5_","exact_mass":293.101,"inchikey":"GQSKRVQYDWZFKS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.092651,"smiles":"CC(NC(=O)CC(O)=O)C(=O)NC1=CC=CC=C1C(N)=O","spectrum_id":"CCMSLIB00000849400","spectrum_index":2804},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380776-01_C16H24O7_","exact_mass":328.152,"inchikey":"OAWJOZQLMVETKE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.188263,"smiles":"CC1(C)C2CCC1(C)C(C2)OC(=O)C(O)(CC(O)=O)CC(O)=O","spectrum_id":"CCMSLIB00000849403","spectrum_index":2805},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380776-01_C16H24O7_","exact_mass":328.152,"inchikey":"OAWJOZQLMVETKE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.13797,"smiles":"CC1(C)C2CCC1(C)C(C2)OC(=O)C(O)(CC(O)=O)CC(O)=O","spectrum_id":"CCMSLIB00000849406","spectrum_index":2806},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347625-02_C24H34O7_{(1R,4aR,5S,6R,8S,8aR)-8-Acetoxy-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]octahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl}methyl acetate","exact_mass":434.23,"inchikey":"CNIWQELMLPUFOS-NVSXQWMQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.224213,"smiles":"C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@H](CCC[C@]23CO3)[C@@]1(C)[C@@H]4C[C@H]5\\C=C/O[C@H]5O4","spectrum_id":"CCMSLIB00000849409","spectrum_index":2807},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385495-01_C47H52O23_2H-Furo[3,2-b]naphtho[2,3-g][1,5]dioxonin-5,12-dione, 2-[[6-O-[(2E)-3-[4-[(6-deoxyhexopyranosyl)oxy]phenyl]-1-oxo-2-propen-1-yl]hexopyranosyl]oxy]-3,3a,5a,6,14,14a-hexahydro-3,8-dihydroxy-2-(hydroxymethyl)-6-(4-hydroxyphenyl)-7,9-dimethoxy-","exact_mass":984.29,"inchikey":"UJQFPCFWOKPURJ-AWNIVKPZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":985.300659,"smiles":"COC1=C(O)C(=C2C(C\\3C(=O)OC4C(O)C(CO)(OC4COC(=O)C3=C/C2=C1)OC5OC(COC(=O)/C=C/C6=CC=C(OC7OC(C)C(O)C(O)C7O)C=C6)C(O)C(O)C5O)C8=CC=C(O)C=C8)OC","spectrum_id":"CCMSLIB00000849412","spectrum_index":2808},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385495-01_C47H52O23_2H-Furo[3,2-b]naphtho[2,3-g][1,5]dioxonin-5,12-dione, 2-[[6-O-[(2E)-3-[4-[(6-deoxyhexopyranosyl)oxy]phenyl]-1-oxo-2-propen-1-yl]hexopyranosyl]oxy]-3,3a,5a,6,14,14a-hexahydro-3,8-dihydroxy-2-(hydroxymethyl)-6-(4-hydroxyphenyl)-7,9-dimethoxy-","exact_mass":984.29,"inchikey":"UJQFPCFWOKPURJ-AWNIVKPZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":967.289734,"smiles":"COC1=C(O)C(=C2C(C\\3C(=O)OC4C(O)C(CO)(OC4COC(=O)C3=C/C2=C1)OC5OC(COC(=O)/C=C/C6=CC=C(OC7OC(C)C(O)C(O)C7O)C=C6)C(O)C(O)C5O)C8=CC=C(O)C=C8)OC","spectrum_id":"CCMSLIB00000849415","spectrum_index":2809},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385495-01_C47H52O23_2H-Furo[3,2-b]naphtho[2,3-g][1,5]dioxonin-5,12-dione, 2-[[6-O-[(2E)-3-[4-[(6-deoxyhexopyranosyl)oxy]phenyl]-1-oxo-2-propen-1-yl]hexopyranosyl]oxy]-3,3a,5a,6,14,14a-hexahydro-3,8-dihydroxy-2-(hydroxymethyl)-6-(4-hydroxyphenyl)-7,9-dimethoxy-","exact_mass":984.29,"inchikey":"UJQFPCFWOKPURJ-AWNIVKPZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1007.280334,"smiles":"COC1=C(O)C(=C2C(C\\3C(=O)OC4C(O)C(CO)(OC4COC(=O)C3=C/C2=C1)OC5OC(COC(=O)/C=C/C6=CC=C(OC7OC(C)C(O)C(O)C7O)C=C6)C(O)C(O)C5O)C8=CC=C(O)C=C8)OC","spectrum_id":"CCMSLIB00000849418","spectrum_index":2810},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385500-01_C32H54O15_1,3,6-Tris-O-(3-methylbutanoyl)-beta-D-fructofuranosyl 2-O-(3-methylbutanoyl)-alpha-D-glucopyranoside","exact_mass":678.346,"inchikey":"WYZSLJFHERMCAN-VQXMZCCPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":696.385376,"smiles":"CC(C)CC(=O)OC[C@H]1O[C@@](COC(=O)CC(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H]1O","spectrum_id":"CCMSLIB00000849421","spectrum_index":2811},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385500-01_C32H54O15_1,3,6-Tris-O-(3-methylbutanoyl)-beta-D-fructofuranosyl 2-O-(3-methylbutanoyl)-alpha-D-glucopyranoside","exact_mass":678.346,"inchikey":"WYZSLJFHERMCAN-VQXMZCCPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":701.341064,"smiles":"CC(C)CC(=O)OC[C@H]1O[C@@](COC(=O)CC(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H]1O","spectrum_id":"CCMSLIB00000849424","spectrum_index":2812},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347384-02_C44H68O17_(1beta,3alpha,9xi,14xi)-1-Hydroxyspirosta-5,25(27)-dien-3-yl beta-D-glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-(3xi)-alpha-D-threo-pentopyranoside","exact_mass":868.446,"inchikey":"LBBBWHJWPKKHAK-ODVUEKKASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":869.452881,"smiles":"C[C@@H]1O[C@@H](O[C@H]2C(O)[C@H](O)CO[C@@H]2O[C@@H]3C[C@@H](O)[C@]4(C)C5CC[C@@]6(C)C(C[C@@H]7O[C@]8(CCC(=C)CO8)[C@@H](C)[C@H]67)[C@@H]5C\\C=C4\\C3)[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]1O","spectrum_id":"CCMSLIB00000849427","spectrum_index":2813},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347384-02_C44H68O17_(1beta,3alpha,9xi,14xi)-1-Hydroxyspirosta-5,25(27)-dien-3-yl beta-D-glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-(3xi)-alpha-D-threo-pentopyranoside","exact_mass":868.446,"inchikey":"LBBBWHJWPKKHAK-ODVUEKKASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":891.434326,"smiles":"C[C@@H]1O[C@@H](O[C@H]2C(O)[C@H](O)CO[C@@H]2O[C@@H]3C[C@@H](O)[C@]4(C)C5CC[C@@]6(C)C(C[C@@H]7O[C@]8(CCC(=C)CO8)[C@@H](C)[C@H]67)[C@@H]5C\\C=C4\\C3)[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]1O","spectrum_id":"CCMSLIB00000849430","spectrum_index":2814},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385368-01_C13H14O4_(2R)-2-[(1E,3E)-5-Hydroxy-1,3-pentadien-1-yl]-2,3-dihydro-1-benzofuran-5,7-diol","exact_mass":234.089,"inchikey":"NQXQVSUQVNEFEV-FDQVAWRBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.098648,"smiles":"OC\\C=C\\C=C\\[C@H]1CC2=C(O1)C(=CC(=C2)O)O","spectrum_id":"CCMSLIB00000849433","spectrum_index":2815},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385368-01_C13H14O4_(2R)-2-[(1E,3E)-5-Hydroxy-1,3-pentadien-1-yl]-2,3-dihydro-1-benzofuran-5,7-diol","exact_mass":234.089,"inchikey":"NQXQVSUQVNEFEV-FDQVAWRBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":217.087143,"smiles":"OC\\C=C\\C=C\\[C@H]1CC2=C(O1)C(=CC(=C2)O)O","spectrum_id":"CCMSLIB00000849436","spectrum_index":2816},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385369-01_C32H48O9_Card-20(22)-enolide, 16-(acetyloxy)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-, (3beta,5beta,8xi,9xi,16beta)-","exact_mass":576.33,"inchikey":"JLPDBLFIVFSOCC-JSUYUZTESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.340149,"smiles":"COC1CC(OC(C)C1O)O[C@H]2CC[C@@]3(C)[C@H](CCC4C3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(C)=O)\\C6=C\\C(=O)OC6)C2","spectrum_id":"CCMSLIB00000849439","spectrum_index":2817},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385369-01_C32H48O9_Card-20(22)-enolide, 16-(acetyloxy)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-, (3beta,5beta,8xi,9xi,16beta)-","exact_mass":576.33,"inchikey":"JLPDBLFIVFSOCC-JSUYUZTESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":599.321533,"smiles":"COC1CC(OC(C)C1O)O[C@H]2CC[C@@]3(C)[C@H](CCC4C3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(C)=O)\\C6=C\\C(=O)OC6)C2","spectrum_id":"CCMSLIB00000849442","spectrum_index":2818},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385372-01_C20H28O4_1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-9-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R,4aS,10aR)-","exact_mass":332.199,"inchikey":"ALGYTGOYQATWBA-FXICDCLBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.208679,"smiles":"CC(C)(O)C1=CC2=C(C=C1)[C@@]3(C)CCC[C@](C)([C@@H]3CC2O)C(O)=O","spectrum_id":"CCMSLIB00000849445","spectrum_index":2819},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385372-01_C20H28O4_1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-9-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R,4aS,10aR)-","exact_mass":332.199,"inchikey":"ALGYTGOYQATWBA-FXICDCLBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.197723,"smiles":"CC(C)(O)C1=CC2=C(C=C1)[C@@]3(C)CCC[C@](C)([C@@H]3CC2O)C(O)=O","spectrum_id":"CCMSLIB00000849448","spectrum_index":2820},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385373-01_C20H28O3_1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-9-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1S,9R)-","exact_mass":316.204,"inchikey":"GPFVBJYXFRIOFB-FQVATPOOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.202942,"smiles":"CC(C)C1=CC2=C(C=C1)[C@@]3(C)CCC[C@@](C)(C3C[C@H]2O)C(O)=O","spectrum_id":"CCMSLIB00000849451","spectrum_index":2821},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385373-01_C20H28O3_1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-9-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1S,9R)-","exact_mass":316.204,"inchikey":"GPFVBJYXFRIOFB-FQVATPOOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.196167,"smiles":"CC(C)C1=CC2=C(C=C1)[C@@]3(C)CCC[C@@](C)(C3C[C@H]2O)C(O)=O","spectrum_id":"CCMSLIB00000849454","spectrum_index":2822},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385374-01_C70H110O36_6-Deoxyhexopyranosyl-(1->3)-[pentopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->4)]-6-deoxy-1-O-[(3beta,5xi,9xi,16alpha)-3-{[beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranuronosyl]oxy}-16-hydroxy-23,28-dioxoolean-12-en-28-yl]-beta-D-galactopyranose","exact_mass":1526.68,"inchikey":"ODCQAZGUPKQTMK-GRXQUDFFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1509.659546,"smiles":"CC1OC(O[C@@H]2[C@@H](O)[C@@H](O[C@H](C)[C@@H]2OC3OC(C)C(OC4OCC(O)C(O)C4O)C(O)C3O)OC(=O)[C@]56CCC(C)(C)C[C@H]5C/7=C/CC8[C@@]9(C)CC[C@H](O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O)[C@H]%10O[C@@H]%12O[C@H](CO)[C@H](O)[C@H](O)[C@H]%12O)C(O)=O)[C@@](C)(C=O)C9CC[C@@]8(C)[C@]7(C)C[C@H]6O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000849457","spectrum_index":2823},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385376-01_C57H90O29_3-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,5xi,6beta,9xi,16alpha)-3-(beta-D-glucopyranuronosyloxy)-2,6,16,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-alpha-L-arabinofuranose","exact_mass":1238.56,"inchikey":"CLZUMLIVUFEQRJ-DMTNONPGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1221.548096,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2OC(=O)[C@]34CCC(C)(C)C[C@H]3C/5=C/CC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@@](C)(CO)C7[C@H](O)C[C@@]6(C)[C@]5(C)C[C@H]4O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O[C@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]9O","spectrum_id":"CCMSLIB00000849461","spectrum_index":2824},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385376-01_C57H90O29_3-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,5xi,6beta,9xi,16alpha)-3-(beta-D-glucopyranuronosyloxy)-2,6,16,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-alpha-L-arabinofuranose","exact_mass":1238.56,"inchikey":"CLZUMLIVUFEQRJ-DMTNONPGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1261.537598,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2OC(=O)[C@]34CCC(C)(C)C[C@H]3C/5=C/CC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@@](C)(CO)C7[C@H](O)C[C@@]6(C)[C@]5(C)C[C@H]4O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O[C@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]9O","spectrum_id":"CCMSLIB00000849463","spectrum_index":2825},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385377-01_C19H32O7_4-(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yl)-2-butanyl beta-D-glucopyranoside","exact_mass":372.215,"inchikey":"NYLNHNDMNOPWAZ-ZEGIJQCCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.22467,"smiles":"CC(CCC1\\C(=C/C(=O)CC1(C)C)C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000849466","spectrum_index":2826},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385377-01_C19H32O7_4-(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yl)-2-butanyl beta-D-glucopyranoside","exact_mass":372.215,"inchikey":"NYLNHNDMNOPWAZ-ZEGIJQCCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.207489,"smiles":"CC(CCC1\\C(=C/C(=O)CC1(C)C)C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000849469","spectrum_index":2827},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168819-02_C24H27N3O7_Prolinamide, N-(4-hydroxybenzoyl)valyl-N-(2-carboxy-6-hydroxyphenyl)-","exact_mass":469.185,"inchikey":"IVYXJYNRIKSGRV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":470.193237,"smiles":"CC(C)C(NC(=O)C1=CC=C(O)C=C1)C(=O)N2CCCC2C(=O)NC3=C(C=CC=C3O)C(O)=O","spectrum_id":"CCMSLIB00000849472","spectrum_index":2828},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168819-02_C24H27N3O7_Prolinamide, N-(4-hydroxybenzoyl)valyl-N-(2-carboxy-6-hydroxyphenyl)-","exact_mass":469.185,"inchikey":"IVYXJYNRIKSGRV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":452.183014,"smiles":"CC(C)C(NC(=O)C1=CC=C(O)C=C1)C(=O)N2CCCC2C(=O)NC3=C(C=CC=C3O)C(O)=O","spectrum_id":"CCMSLIB00000849475","spectrum_index":2829},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168819-02_C24H27N3O7_Prolinamide, N-(4-hydroxybenzoyl)valyl-N-(2-carboxy-6-hydroxyphenyl)-","exact_mass":469.185,"inchikey":"IVYXJYNRIKSGRV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":492.174835,"smiles":"CC(C)C(NC(=O)C1=CC=C(O)C=C1)C(=O)N2CCCC2C(=O)NC3=C(C=CC=C3O)C(O)=O","spectrum_id":"CCMSLIB00000849478","spectrum_index":2830},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381432-01_C58H103N3O18_Propanedioic acid, mono[(10E,20E)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-15-[(3Z)-9-[[imino(methylamino)methyl]amino]-1,3-dimethyl-3-nonen-1-yl]-8,10,14,18,22,26,30-heptamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,20-dien-3-yl] ester","exact_mass":1129.72,"inchikey":"YKXBRUJZXGRVCQ-SJYGTEHGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1130.723267,"smiles":"CNC(=N)NCCCCC\\C=C(C)/CC(C)C1OC(=O)C(C)C(O)/C=C/C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(O)C2O)CC(CC(O)CC(O)C(C)C(O)/C(=C/CCC1C)C)OC(=O)CC(O)=O","spectrum_id":"CCMSLIB00000849481","spectrum_index":2831},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381432-01_C58H103N3O18_Propanedioic acid, mono[(10E,20E)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-15-[(3Z)-9-[[imino(methylamino)methyl]amino]-1,3-dimethyl-3-nonen-1-yl]-8,10,14,18,22,26,30-heptamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,20-dien-3-yl] ester","exact_mass":1129.72,"inchikey":"YKXBRUJZXGRVCQ-SJYGTEHGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1112.713501,"smiles":"CNC(=N)NCCCCC\\C=C(C)/CC(C)C1OC(=O)C(C)C(O)/C=C/C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(O)C2O)CC(CC(O)CC(O)C(C)C(O)/C(=C/CCC1C)C)OC(=O)CC(O)=O","spectrum_id":"CCMSLIB00000849484","spectrum_index":2832},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381434-01_C20H22O4_2-Methoxy-4-{(2S,3R)-7-methoxy-3-methyl-5-[(1E)-1-propen-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol","exact_mass":326.152,"inchikey":"ITDOFWOJEDZPCF-SZJIHULOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.160706,"smiles":"COC1=CC(=CC=C1O)[C@H]2OC3=C(C=C(\\C=C\\C)C=C3OC)[C@H]2C","spectrum_id":"CCMSLIB00000849487","spectrum_index":2833},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381434-01_C20H22O4_2-Methoxy-4-{(2S,3R)-7-methoxy-3-methyl-5-[(1E)-1-propen-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol","exact_mass":326.152,"inchikey":"ITDOFWOJEDZPCF-SZJIHULOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.187256,"smiles":"COC1=CC(=CC=C1O)[C@H]2OC3=C(C=C(\\C=C\\C)C=C3OC)[C@H]2C","spectrum_id":"CCMSLIB00000849490","spectrum_index":2834},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381437-01_C22H24O7_6-Hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-7-yl 4-hydroxy-2-methoxy-6-methylbenzoate","exact_mass":400.152,"inchikey":"KFFKMHLZUAKCOH-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.160889,"smiles":"COC1=C(C(=CC(=C1)O)C)C(=O)OC2(C)C(O)CC\\3=C(COC(=C3)\\C=C\\C)/C2=O","spectrum_id":"CCMSLIB00000849493","spectrum_index":2835},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381437-01_C22H24O7_6-Hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-7-yl 4-hydroxy-2-methoxy-6-methylbenzoate","exact_mass":400.152,"inchikey":"KFFKMHLZUAKCOH-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.143005,"smiles":"COC1=C(C(=CC(=C1)O)C)C(=O)OC2(C)C(O)CC\\3=C(COC(=C3)\\C=C\\C)/C2=O","spectrum_id":"CCMSLIB00000849496","spectrum_index":2836},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381438-01_C29H48O22_alpha-D-Glucopyranoside, O-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-alpha-D-glucopyranosyl O-beta-D-glucopyranosyl-(1->2)-","exact_mass":748.264,"inchikey":"ZPKOPBUGDKNHJM-OXZZLBQESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":766.295654,"smiles":"C/C=C(C)/C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849499","spectrum_index":2837},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381438-01_C29H48O22_alpha-D-Glucopyranoside, O-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-alpha-D-glucopyranosyl O-beta-D-glucopyranosyl-(1->2)-","exact_mass":748.264,"inchikey":"ZPKOPBUGDKNHJM-OXZZLBQESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":771.251099,"smiles":"C/C=C(C)/C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849503","spectrum_index":2838},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381439-01_C15H24O3_1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-6-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-","exact_mass":252.173,"inchikey":"QXTBAOJTASJFAD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.180496,"smiles":"CC/1=C/C(=O)C2C(C)(C)CC(O)CC2(C)C1CO","spectrum_id":"CCMSLIB00000849505","spectrum_index":2839},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381443-01_C30H40O8_Androstan-16-one, 3,7-bis(acetyloxy)-14,15-epoxy-17-(3-furanyl)-1-hydroxy-4,4,8-trimethyl-","exact_mass":528.272,"inchikey":"PVCLMZBWMWIHKX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":529.280273,"smiles":"CC(=O)OC1CC(O)C2(C)C3CCC4(C)C(C(=O)C5OC45C3(C)C(CC2C1(C)C)OC(C)=O)C6=COC=C6","spectrum_id":"CCMSLIB00000849508","spectrum_index":2840},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381443-01_C30H40O8_Androstan-16-one, 3,7-bis(acetyloxy)-14,15-epoxy-17-(3-furanyl)-1-hydroxy-4,4,8-trimethyl-","exact_mass":528.272,"inchikey":"PVCLMZBWMWIHKX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":546.30719,"smiles":"CC(=O)OC1CC(O)C2(C)C3CCC4(C)C(C(=O)C5OC45C3(C)C(CC2C1(C)C)OC(C)=O)C6=COC=C6","spectrum_id":"CCMSLIB00000849511","spectrum_index":2841},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381448-01_C15H24O5_1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1,4-dihydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-","exact_mass":284.162,"inchikey":"LZNVQLZWBFBDBG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.159729,"smiles":"CC1(C)CCCC2(C)C1C(O)\\C=C(CO)/C2(O)C(O)=O","spectrum_id":"CCMSLIB00000849514","spectrum_index":2842},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179909-03_C42H66O14_Urs-12-ene-27,28-dioic acid, 3-[(6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-, (3beta,5xi,9xi,18xi)-","exact_mass":794.445,"inchikey":"IIIOQVDDEWZCEQ-YKQGQIHISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":817.438782,"smiles":"C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H]6O)C(C)(C)C5CC[C@@]34C)C2[C@H]1C)C(O)=O","spectrum_id":"CCMSLIB00000849517","spectrum_index":2843},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385527-01_C59H94O30_beta-D-Galactopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-[beta-D-glucopyranosyl-(1->3)]-1-O-[(3beta,5xi,9xi,16alpha)-16,23-dihydroxy-23,28-dioxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":1282.58,"inchikey":"SXWOFRLEPIYRBS-GWDZWKDSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1283.587158,"smiles":"CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]7O","spectrum_id":"CCMSLIB00000849520","spectrum_index":2844},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347608-02_C30H38O11_7,11-Methano-2H,4H-oxireno[1,8]cycloocta[1,2-f][2]benzopyran-8-acetic acid, 4-(3-furanyl)dodecahydro-alpha,11-dihydroxy-4a,7,9,9-tetramethyl-2,13-dioxo-10-(1-oxopropoxy)-, methyl ester, (alphaR,4R,4aR,7S,8S,10S,11S,11aR,12aS)-","exact_mass":574.241,"inchikey":"FZBGZDZLYSLJFE-MVAMGWTESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":575.24585,"smiles":"CCC(=O)O[C@H]1C(C)(C)[C@H]([C@@H](O)C(=O)OC)[C@@]2(C)C3CC[C@]4(C)C(CC(=O)O[C@H]4C5=COC=C5)[C@]36O[C@@H]6[C@]1(O)C2=O","spectrum_id":"CCMSLIB00000849523","spectrum_index":2845},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347608-02_C30H38O11_7,11-Methano-2H,4H-oxireno[1,8]cycloocta[1,2-f][2]benzopyran-8-acetic acid, 4-(3-furanyl)dodecahydro-alpha,11-dihydroxy-4a,7,9,9-tetramethyl-2,13-dioxo-10-(1-oxopropoxy)-, methyl ester, (alphaR,4R,4aR,7S,8S,10S,11S,11aR,12aS)-","exact_mass":574.241,"inchikey":"FZBGZDZLYSLJFE-MVAMGWTESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":592.272156,"smiles":"CCC(=O)O[C@H]1C(C)(C)[C@H]([C@@H](O)C(=O)OC)[C@@]2(C)C3CC[C@]4(C)C(CC(=O)O[C@H]4C5=COC=C5)[C@]36O[C@@H]6[C@]1(O)C2=O","spectrum_id":"CCMSLIB00000849526","spectrum_index":2846},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347608-02_C30H38O11_7,11-Methano-2H,4H-oxireno[1,8]cycloocta[1,2-f][2]benzopyran-8-acetic acid, 4-(3-furanyl)dodecahydro-alpha,11-dihydroxy-4a,7,9,9-tetramethyl-2,13-dioxo-10-(1-oxopropoxy)-, methyl ester, (alphaR,4R,4aR,7S,8S,10S,11S,11aR,12aS)-","exact_mass":574.241,"inchikey":"FZBGZDZLYSLJFE-MVAMGWTESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":597.230774,"smiles":"CCC(=O)O[C@H]1C(C)(C)[C@H]([C@@H](O)C(=O)OC)[C@@]2(C)C3CC[C@]4(C)C(CC(=O)O[C@H]4C5=COC=C5)[C@]36O[C@@H]6[C@]1(O)C2=O","spectrum_id":"CCMSLIB00000849529","spectrum_index":2847},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347774-02_C38H46O16_9,10-Diacetoxy-2-(3-furyl)-10b-methyl-4-oxododecahydro-2H-benzo[f]isochromen-7-yl (2E)-3-[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]acrylate","exact_mass":758.279,"inchikey":"PEIIVQGCRPEHQK-AKGVGRAASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":759.281616,"smiles":"COC1=CC(=CC=C1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\\C=C\\C(=O)OC3CC(OC(C)=O)C(OC(C)=O)C4C3CCC5C(=O)OC(CC45C)C6=COC=C6","spectrum_id":"CCMSLIB00000849532","spectrum_index":2848},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347774-02_C38H46O16_9,10-Diacetoxy-2-(3-furyl)-10b-methyl-4-oxododecahydro-2H-benzo[f]isochromen-7-yl (2E)-3-[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]acrylate","exact_mass":758.279,"inchikey":"PEIIVQGCRPEHQK-AKGVGRAASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":776.307678,"smiles":"COC1=CC(=CC=C1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\\C=C\\C(=O)OC3CC(OC(C)=O)C(OC(C)=O)C4C3CCC5C(=O)OC(CC45C)C6=COC=C6","spectrum_id":"CCMSLIB00000849535","spectrum_index":2849},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381207-01_C20H28O5_2(5H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]acetyl]-","exact_mass":348.194,"inchikey":"KPJIGLLMDBHXEB-XUMBOQAASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.200012,"smiles":"C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(=O)/C3=C/COC3=O)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00000849538","spectrum_index":2850},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381207-01_C20H28O5_2(5H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]acetyl]-","exact_mass":348.194,"inchikey":"KPJIGLLMDBHXEB-XUMBOQAASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.189423,"smiles":"C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(=O)/C3=C/COC3=O)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00000849542","spectrum_index":2851},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381208-01_C20H24O6_(3aR,4S,6E,9Z,11aS)-4-Hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-2,3,3a,4,5,8,11,11a-octahydrocyclodeca[b]furan-11-yl (2Z)-2-methyl-2-butenoate","exact_mass":360.157,"inchikey":"SCJIZBIZKYTHRQ-SYKXZPGESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.163544,"smiles":"C\\C=C(C)/C(=O)OC\\1[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C\\C(=C\\C(=O)\\C=C1C)C","spectrum_id":"CCMSLIB00000849544","spectrum_index":2852},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381208-01_C20H24O6_(3aR,4S,6E,9Z,11aS)-4-Hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-2,3,3a,4,5,8,11,11a-octahydrocyclodeca[b]furan-11-yl (2Z)-2-methyl-2-butenoate","exact_mass":360.157,"inchikey":"SCJIZBIZKYTHRQ-SYKXZPGESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.190063,"smiles":"C\\C=C(C)/C(=O)OC\\1[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C\\C(=C\\C(=O)\\C=C1C)C","spectrum_id":"CCMSLIB00000849547","spectrum_index":2853},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381210-01_C18H32O11_(2E)-4-Hydroxy-3,4-dimethyl-2-penten-1-yl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":424.194,"inchikey":"FEGXTMHRTZJSIG-MVXUSQBOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.18219,"smiles":"CC(=C/CO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)\\C(C)(C)O","spectrum_id":"CCMSLIB00000849550","spectrum_index":2854},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381210-01_C18H32O11_(2E)-4-Hydroxy-3,4-dimethyl-2-penten-1-yl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":424.194,"inchikey":"FEGXTMHRTZJSIG-MVXUSQBOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.158142,"smiles":"CC(=C/CO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)\\C(C)(C)O","spectrum_id":"CCMSLIB00000849553","spectrum_index":2855},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381214-01_C21H30O12_beta-D-Glucopyranoside, 2-hydroxy-4-(2-propen-1-yl)phenyl 6-O-beta-D-glucopyranosyl-","exact_mass":474.174,"inchikey":"JSQKCXPOJUGOCX-LWZURRPWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":492.205261,"smiles":"OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(O)C=C(CC=C)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849556","spectrum_index":2856},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381214-01_C21H30O12_beta-D-Glucopyranoside, 2-hydroxy-4-(2-propen-1-yl)phenyl 6-O-beta-D-glucopyranosyl-","exact_mass":474.174,"inchikey":"JSQKCXPOJUGOCX-LWZURRPWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":497.161133,"smiles":"OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(O)C=C(CC=C)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849559","spectrum_index":2857},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385645-01_C27H36O8_2-Butenoic acid, 2-methyl-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (2E)-","exact_mass":488.241,"inchikey":"PCASZNXKLGTEGB-MDWZMJQESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.240997,"smiles":"C/C=C(C)/C(=O)OC1C(C)C2(O)C(\\C=C(CO)/CC3(O)C2\\C=C(C)/C3=O)C4C(C)(C)C14OC(C)=O","spectrum_id":"CCMSLIB00000849562","spectrum_index":2858},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385645-01_C27H36O8_2-Butenoic acid, 2-methyl-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (2E)-","exact_mass":488.241,"inchikey":"PCASZNXKLGTEGB-MDWZMJQESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":506.27887,"smiles":"C/C=C(C)/C(=O)OC1C(C)C2(O)C(\\C=C(CO)/CC3(O)C2\\C=C(C)/C3=O)C4C(C)(C)C14OC(C)=O","spectrum_id":"CCMSLIB00000849565","spectrum_index":2859},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385647-01_C15H24O4_2-[(4aS,7R,8R)-7,8-Dihydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]acrylic acid","exact_mass":268.167,"inchikey":"SVUDFAVZLCGQAU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.203888,"smiles":"CC1(O)C(O)CCC2(C)CCC(CC12)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000849568","spectrum_index":2860},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385649-01_C15H22O4_5,8-Dihydroxy-3,5,8-trimethyl-4a,5,6,7,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2(4H)-one","exact_mass":266.152,"inchikey":"BQDXDGDOYPUUOD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.161194,"smiles":"CC\\1=C2/CC3C(CCC3(C)O)C(C)(O)CC2OC1=O","spectrum_id":"CCMSLIB00000849571","spectrum_index":2861},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385651-01_C23H32O7_","exact_mass":420.215,"inchikey":"ZFHBPZHOLGMDMW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.214569,"smiles":"COC(=O)C1(C)CCC(O)C2(C)C1C(OC(C)=O)C(O)C3=C2C=C(O)C(=C3)C(C)C","spectrum_id":"CCMSLIB00000849574","spectrum_index":2862},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385653-01_C36H40O8_","exact_mass":600.272,"inchikey":"IBMKFRJIFFORNR-QJRLKQHFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":618.309082,"smiles":"CC1CC2(OC(C)=O)C(\\C=C(C)/C(CC(=O)C(C)(C)/C=C/C(C)C2=O)OC(=O)C3=CC=CC=C3)C1OC(=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000849577","spectrum_index":2863},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385658-01_C50H82O22_","exact_mass":1034.53,"inchikey":"QXPYMYKHTLVJKY-ZGWAEBOBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1035.534424,"smiles":"C[C@H]1CC[C@@]2(OC1)O[C@H]3CC4[C@@H]5CC[C@@H]6C[C@H](CC[C@]6(C)C5CC[C@]4(C)[C@H]3[C@@H]2C)O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000849580","spectrum_index":2864},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385658-01_C50H82O22_","exact_mass":1034.53,"inchikey":"QXPYMYKHTLVJKY-ZGWAEBOBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1052.561279,"smiles":"C[C@H]1CC[C@@]2(OC1)O[C@H]3CC4[C@@H]5CC[C@@H]6C[C@H](CC[C@]6(C)C5CC[C@]4(C)[C@H]3[C@@H]2C)O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000849583","spectrum_index":2865},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385658-01_C50H82O22_","exact_mass":1034.53,"inchikey":"QXPYMYKHTLVJKY-ZGWAEBOBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1057.515625,"smiles":"C[C@H]1CC[C@@]2(OC1)O[C@H]3CC4[C@@H]5CC[C@@H]6C[C@H](CC[C@]6(C)C5CC[C@]4(C)[C@H]3[C@@H]2C)O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000849587","spectrum_index":2866},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385091-01_C20H22O8_3-Hydroxy-5-[(E)-2-(4-hydroxyphenyl)vinyl]phenyl hexopyranoside","exact_mass":390.131,"inchikey":"HSTZMXCBWJGKHG-OWOJBTEDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.139404,"smiles":"OCC1OC(OC2=CC(=CC(=C2)O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000849589","spectrum_index":2867},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385093-01_C18H17NO5_L-Tyrosine, N-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-","exact_mass":327.111,"inchikey":"LEEDEKWKJVUWGA-YKXBDCQTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":328.118652,"smiles":"OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)\\C=C\\C2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000849592","spectrum_index":2868},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385093-01_C18H17NO5_L-Tyrosine, N-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-","exact_mass":327.111,"inchikey":"LEEDEKWKJVUWGA-YKXBDCQTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":350.1008,"smiles":"OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)\\C=C\\C2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000849595","spectrum_index":2869},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385095-01_C50H78O24_(2alpha,3beta,5alpha,8xi,14xi,25S)-2-Hydroxy-12-oxospirost-9(11)-en-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside","exact_mass":1062.49,"inchikey":"LELLSYYSZQISHN-VHUPQKCGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1063.486572,"smiles":"C[C@H]1CC[C@@]2(OC1)O[C@H]3CC4C5CC[C@H]6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]7O)[C@H](O)C[C@]6(C)/C5=C/C(=O)[C@]4(C)[C@H]3[C@@H]2C","spectrum_id":"CCMSLIB00000849598","spectrum_index":2870},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385095-01_C50H78O24_(2alpha,3beta,5alpha,8xi,14xi,25S)-2-Hydroxy-12-oxospirost-9(11)-en-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside","exact_mass":1062.49,"inchikey":"LELLSYYSZQISHN-VHUPQKCGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1080.512695,"smiles":"C[C@H]1CC[C@@]2(OC1)O[C@H]3CC4C5CC[C@H]6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]7O)[C@H](O)C[C@]6(C)/C5=C/C(=O)[C@]4(C)[C@H]3[C@@H]2C","spectrum_id":"CCMSLIB00000849601","spectrum_index":2871},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385095-01_C50H78O24_(2alpha,3beta,5alpha,8xi,14xi,25S)-2-Hydroxy-12-oxospirost-9(11)-en-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside","exact_mass":1062.49,"inchikey":"LELLSYYSZQISHN-VHUPQKCGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1085.467163,"smiles":"C[C@H]1CC[C@@]2(OC1)O[C@H]3CC4C5CC[C@H]6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]7O)[C@H](O)C[C@]6(C)/C5=C/C(=O)[C@]4(C)[C@H]3[C@@H]2C","spectrum_id":"CCMSLIB00000849604","spectrum_index":2872},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385101-01_C26H40O10_1,6-Bis-O-{[4-(2-hydroxy-2-propanyl)-1-cyclohexen-1-yl]carbonyl}-beta-D-glucopyranose","exact_mass":512.262,"inchikey":"JOLLIDAUJSAZHE-NXLZJJLUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":513.268677,"smiles":"CC(C)(O)C1CCC(=C/C1)\\C(=O)OC[C@H]2O[C@@H](OC(=O)\\C3=C\\CC(CC3)C(C)(C)O)[C@H](O)[C@@H](O)[C@@H]2O","spectrum_id":"CCMSLIB00000849607","spectrum_index":2873},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385102-01_C18H16O5_2(5H)-Furanone, 4-(2-hydroxy-4-methoxyphenyl)-5-[(4-hydroxyphenyl)methyl]-","exact_mass":312.1,"inchikey":"KGPYRSBJENOECL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.107361,"smiles":"COC1=CC(=C(C=C1)C/2=C/C(=O)OC2CC3=CC=C(O)C=C3)O","spectrum_id":"CCMSLIB00000849609","spectrum_index":2874},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385103-01_C53H88O22_(3beta,5xi,9xi,16alpha,18xi)-16,30-Dihydroxy-13,28-epoxyoleanan-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-alpha-L-arabinopyranoside","exact_mass":1076.58,"inchikey":"LTTSWSWZQNISIB-OSLZBDPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1077.574341,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]3CO[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@]78OC[C@@]9(CC[C@](C)(CO)CC79)[C@H](O)C[C@@]68C)C4(C)C)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849613","spectrum_index":2875},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385103-01_C53H88O22_(3beta,5xi,9xi,16alpha,18xi)-16,30-Dihydroxy-13,28-epoxyoleanan-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-alpha-L-arabinopyranoside","exact_mass":1076.58,"inchikey":"LTTSWSWZQNISIB-OSLZBDPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1099.555054,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]3CO[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@]78OC[C@@]9(CC[C@](C)(CO)CC79)[C@H](O)C[C@@]68C)C4(C)C)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849616","spectrum_index":2876},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385507-01_C14H17NO9_(2S)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside","exact_mass":343.09,"inchikey":"VUFDXOACUHDTLI-PUOUXSMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.0979,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2OC3=CC(=CC=C3NC2=O)O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849619","spectrum_index":2877},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385507-01_C14H17NO9_(2S)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside","exact_mass":343.09,"inchikey":"VUFDXOACUHDTLI-PUOUXSMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.080109,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2OC3=CC(=CC=C3NC2=O)O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849622","spectrum_index":2878},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384912-01_C38H61NO9_(3beta,9xi,16alpha)-3-[(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid","exact_mass":675.435,"inchikey":"ZZVZUHRMTUSANL-ZCPAVAOISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":676.443665,"smiles":"CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)C3C\\C=C/5[C@@H]6CC(C)(C)CC[C@@]6([C@H](O)C[C@@]45C)C(O)=O)C2(C)C","spectrum_id":"CCMSLIB00000849624","spectrum_index":2879},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384912-01_C38H61NO9_(3beta,9xi,16alpha)-3-[(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid","exact_mass":675.435,"inchikey":"ZZVZUHRMTUSANL-ZCPAVAOISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":698.425659,"smiles":"CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)C3C\\C=C/5[C@@H]6CC(C)(C)CC[C@@]6([C@H](O)C[C@@]45C)C(O)=O)C2(C)C","spectrum_id":"CCMSLIB00000849628","spectrum_index":2880},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384914-01_C53H88O22_(3beta,5xi,9xi,16beta)-16-Hydroxy-3-{[beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl]oxy}olean-12-en-28-yl beta-D-glucopyranoside","exact_mass":1076.58,"inchikey":"OWRMMXDXVOHFNG-LLJXEUITSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1077.579956,"smiles":"CC1(C)CC[C@]2(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)C[C@]4(C)\\C(=C/CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)C6CC[C@@]45C)[C@@H]2C1","spectrum_id":"CCMSLIB00000849630","spectrum_index":2881},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384914-01_C53H88O22_(3beta,5xi,9xi,16beta)-16-Hydroxy-3-{[beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl]oxy}olean-12-en-28-yl beta-D-glucopyranoside","exact_mass":1076.58,"inchikey":"OWRMMXDXVOHFNG-LLJXEUITSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1094.606201,"smiles":"CC1(C)CC[C@]2(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)C[C@]4(C)\\C(=C/CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)C6CC[C@@]45C)[C@@H]2C1","spectrum_id":"CCMSLIB00000849634","spectrum_index":2882},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384918-01_C29H40O9_(1R,3aS,3bR,6aR,7aS,9R,11R,11aS,12aR,13aR,15aR)-3a,11,11a-Trihydroxy-9,15a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)icosahydro-7aH,13aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxine-13a-carbaldehyde","exact_mass":532.267,"inchikey":"OWPWFVVPBYFKBG-YJUZHQNUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":533.2771,"smiles":"C[C@@H]1C[C@@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)C(CC[C@@H]5C4CC[C@]6(C)[C@H](CC[C@]56O)\\C7=C\\C(=O)OC7)C[C@H]3O[C@@H]2O1","spectrum_id":"CCMSLIB00000849636","spectrum_index":2883},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384918-01_C29H40O9_(1R,3aS,3bR,6aR,7aS,9R,11R,11aS,12aR,13aR,15aR)-3a,11,11a-Trihydroxy-9,15a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)icosahydro-7aH,13aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxine-13a-carbaldehyde","exact_mass":532.267,"inchikey":"OWPWFVVPBYFKBG-YJUZHQNUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":515.266479,"smiles":"C[C@@H]1C[C@@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)C(CC[C@@H]5C4CC[C@]6(C)[C@H](CC[C@]56O)\\C7=C\\C(=O)OC7)C[C@H]3O[C@@H]2O1","spectrum_id":"CCMSLIB00000849640","spectrum_index":2884},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384919-01_C19H26O3S_2-Propenoic acid, 3-(methylthio)-, (1R,2R,8aR)-1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl ester, (2E)-","exact_mass":334.16,"inchikey":"YGBHBIXCSYCCOR-IJIKXCSASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.169952,"smiles":"CS/C=C/C(=O)O[C@@H]1CC\\C2=C\\C(=O)C(C[C@]2(C)[C@H]1C)=C(C)C","spectrum_id":"CCMSLIB00000849642","spectrum_index":2885},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384975-01_C21H36O11_beta-D-Glucopyranoside, (1R,2S,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":464.226,"inchikey":"BVEVSYQMQABMQM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":482.26236,"smiles":"CC1(C)C2CC(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C1(C)CC2O","spectrum_id":"CCMSLIB00000849645","spectrum_index":2886},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384975-01_C21H36O11_beta-D-Glucopyranoside, (1R,2S,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":464.226,"inchikey":"BVEVSYQMQABMQM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.217957,"smiles":"CC1(C)C2CC(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C1(C)CC2O","spectrum_id":"CCMSLIB00000849649","spectrum_index":2887},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384977-01_C21H28O10_2-Hydroxycyclohexyl 2-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside","exact_mass":440.168,"inchikey":"GYBMMZYCUFIKJQ-NHCPJIJJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":458.205139,"smiles":"OC[C@H]1O[C@@H](OC2CCCCC2O)[C@H](OC(=O)\\C=C\\C3=CC(=C(O)C=C3)O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849651","spectrum_index":2888},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384977-01_C21H28O10_2-Hydroxycyclohexyl 2-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside","exact_mass":440.168,"inchikey":"GYBMMZYCUFIKJQ-NHCPJIJJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.160156,"smiles":"OC[C@H]1O[C@@H](OC2CCCCC2O)[C@H](OC(=O)\\C=C\\C3=CC(=C(O)C=C3)O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849656","spectrum_index":2889},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384884-01_C22H36O4_","exact_mass":364.261,"inchikey":"NJMFZDTYMRZXER-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.250671,"smiles":"CC(CCC1C(=C)CCC2C(C)(CCCC12C)COC(C)=O)CC(O)=O","spectrum_id":"CCMSLIB00000849658","spectrum_index":2890},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384888-01_C21H32O9_","exact_mass":428.205,"inchikey":"HYMAKZYMIDUXML-BTUKQMCYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.209961,"smiles":"CC(CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C/2=C(C)/CC3OC(=O)C(=C)C3C2O","spectrum_id":"CCMSLIB00000849660","spectrum_index":2891},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384888-01_C21H32O9_","exact_mass":428.205,"inchikey":"HYMAKZYMIDUXML-BTUKQMCYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":446.237793,"smiles":"CC(CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C/2=C(C)/CC3OC(=O)C(=C)C3C2O","spectrum_id":"CCMSLIB00000849665","spectrum_index":2892},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384888-01_C21H32O9_","exact_mass":428.205,"inchikey":"HYMAKZYMIDUXML-BTUKQMCYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.193024,"smiles":"CC(CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C/2=C(C)/CC3OC(=O)C(=C)C3C2O","spectrum_id":"CCMSLIB00000849666","spectrum_index":2893},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384889-01_C21H28O10_","exact_mass":440.168,"inchikey":"ZEMSXERQBUSFBA-KMYOWJDCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.175323,"smiles":"C[C@@H]1[C@@H]2[C@@H](O)C\\C(=C3/[C@@H]([C@H]2OC1=O)\\C(=C/C3=O)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C","spectrum_id":"CCMSLIB00000849670","spectrum_index":2894},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384893-01_C35H56O9_","exact_mass":620.392,"inchikey":"XGWYBQCOZNQQHX-AOPWNUPJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":643.379578,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000849675","spectrum_index":2895},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169258-03_C23H28O12_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-1-[[6-O-(4-hydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-7-methyl-, (1S,4aS,7S,7aS)-","exact_mass":496.158,"inchikey":"IUXOFSAPFXGQID-KLZCBZFCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.151855,"smiles":"C[C@]1(O)CC[C@H]\\2[C@@H]1[C@@H](O\\C=C2C(O)=O)O[C@@H]3O[C@H](COC(=O)C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000849678","spectrum_index":2896},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384881-02_C42H64O18_(3beta,5beta,9xi)-3-{[beta-D-Glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolide","exact_mass":856.409,"inchikey":"SETOMNSAVMFIPE-ZGZVZRAASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":857.420349,"smiles":"COC1CC(OC(C)C1O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@H]4CC[C@@]5(C=O)[C@H](CC[C@@H]6C5CC[C@]7(C)[C@H](CC[C@]67O)/C8=C/C(=O)OC8)C4","spectrum_id":"CCMSLIB00000849682","spectrum_index":2897},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384881-02_C42H64O18_(3beta,5beta,9xi)-3-{[beta-D-Glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolide","exact_mass":856.409,"inchikey":"SETOMNSAVMFIPE-ZGZVZRAASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":879.400208,"smiles":"COC1CC(OC(C)C1O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@H]4CC[C@@]5(C=O)[C@H](CC[C@@H]6C5CC[C@]7(C)[C@H](CC[C@]67O)/C8=C/C(=O)OC8)C4","spectrum_id":"CCMSLIB00000849685","spectrum_index":2898},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385323-01_C58H94O27_6-Deoxyhexopyranosyl-(1->3)pentopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,5xi,6beta,9xi,18xi)-3-(hexopyranosyloxy)-2,6,23-trihydroxy-28-oxoolean-12-en-28-yl]pentopyranose","exact_mass":1222.6,"inchikey":"CQUSHZSCDGSFBF-WQCRFNKMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1205.592041,"smiles":"CC1OC(OC2C(O)COC(O[C@H]3[C@H](C)O[C@@H](OC4C(O)C(O)COC4OC(=O)[C@]56CCC(C)(C)CC5C/7=C/CC8[C@@]9(C)C[C@H](O)[C@H](OC%10OC(CO)C(O)C(O)C%10O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)CC6)[C@H](O)[C@@H]3O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000849687","spectrum_index":2899},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385323-01_C58H94O27_6-Deoxyhexopyranosyl-(1->3)pentopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,5xi,6beta,9xi,18xi)-3-(hexopyranosyloxy)-2,6,23-trihydroxy-28-oxoolean-12-en-28-yl]pentopyranose","exact_mass":1222.6,"inchikey":"CQUSHZSCDGSFBF-WQCRFNKMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1245.584351,"smiles":"CC1OC(OC2C(O)COC(O[C@H]3[C@H](C)O[C@@H](OC4C(O)C(O)COC4OC(=O)[C@]56CCC(C)(C)CC5C/7=C/CC8[C@@]9(C)C[C@H](O)[C@H](OC%10OC(CO)C(O)C(O)C%10O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)CC6)[C@H](O)[C@@H]3O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000849690","spectrum_index":2900},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385325-01_C36H54O13_Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-xylo-hexopyranosyl)oxy]-14-hydroxy-19-oxo-, (3beta,5alpha,17alpha)-","exact_mass":694.356,"inchikey":"CSVNMGCNZRUZHN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":717.349609,"smiles":"COC1CC(OC(C)C1OC2OC(CO)C(O)C(O)C2O)OC3CCC4(C=O)C(CCC5C4CCC6(C)C(CCC56O)/C7=C/C(=O)OC7)C3","spectrum_id":"CCMSLIB00000849694","spectrum_index":2901},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385326-01_C66H102O33_","exact_mass":1422.63,"inchikey":"BRAWHUQNAZTSAF-DARDIFBWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1423.629639,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](C)[C@H](OC(C)=O)[C@@H]2O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)OC(=O)[C@]45CCC(C)(C)C[C@H]4C/6=C/CC7[C@@]8(C)CC[C@H](O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)C(O)=O)[C@@](C)(C=O)C8CC[C@@]7(C)[C@]6(C)C[C@H]5O)[C@H](O)[C@H](O)[C@H]1O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O","spectrum_id":"CCMSLIB00000849697","spectrum_index":2902},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385326-01_C66H102O33_","exact_mass":1422.63,"inchikey":"BRAWHUQNAZTSAF-DARDIFBWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1445.610596,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](C)[C@H](OC(C)=O)[C@@H]2O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)OC(=O)[C@]45CCC(C)(C)C[C@H]4C/6=C/CC7[C@@]8(C)CC[C@H](O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)C(O)=O)[C@@](C)(C=O)C8CC[C@@]7(C)[C@]6(C)C[C@H]5O)[C@H](O)[C@H](O)[C@H]1O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O","spectrum_id":"CCMSLIB00000849701","spectrum_index":2903},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385328-01_C30H48O6_(1alpha,2alpha,3beta,5xi,9xi,18xi)-1,2,3,19-Tetrahydroxyurs-12-en-28-oic acid","exact_mass":504.345,"inchikey":"VULLSLYDWNGNKZ-WSUAMRMCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":505.3573,"smiles":"C[C@@H]1CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]3(C)CCC5C(C)(C)[C@@H](O)[C@H](O)[C@H](O)[C@]45C)C2[C@]1(C)O)C(O)=O","spectrum_id":"CCMSLIB00000849703","spectrum_index":2904},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168826-02_C48H76O19_beta-D-Glucopyranose, 1-O-[(3beta,5xi,9xi,18xi)-3-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranuronosyl)oxy]-28-oxoolean-12-en-28-yl]-","exact_mass":956.498,"inchikey":"VQIUANBMNYRFDG-KKWQFPQQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":957.503357,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000849705","spectrum_index":2905},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168826-02_C48H76O19_beta-D-Glucopyranose, 1-O-[(3beta,5xi,9xi,18xi)-3-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranuronosyl)oxy]-28-oxoolean-12-en-28-yl]-","exact_mass":956.498,"inchikey":"VQIUANBMNYRFDG-KKWQFPQQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":979.484497,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000849708","spectrum_index":2906},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169053-03_C30H46O4_Dicyclopenta[a,i]phenanthrene-3a(1H)-carboxylic acid, 10-formyloctadecahydro-9-hydroxy-5a,5b,8,8,10a-pentamethyl-1-(1-methylethenyl)-","exact_mass":470.34,"inchikey":"SLWJVQQNDGLXTK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.349823,"smiles":"CC(=C)C1CCC2(CCC3(C)C(CCC4C3(C)CCC5C(C)(C)C(O)C(C=O)C45C)C12)C(O)=O","spectrum_id":"CCMSLIB00000849712","spectrum_index":2907},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169053-03_C30H46O4_Dicyclopenta[a,i]phenanthrene-3a(1H)-carboxylic acid, 10-formyloctadecahydro-9-hydroxy-5a,5b,8,8,10a-pentamethyl-1-(1-methylethenyl)-","exact_mass":470.34,"inchikey":"SLWJVQQNDGLXTK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.338226,"smiles":"CC(=C)C1CCC2(CCC3(C)C(CCC4C3(C)CCC5C(C)(C)C(O)C(C=O)C45C)C12)C(O)=O","spectrum_id":"CCMSLIB00000849714","spectrum_index":2908},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180745-02_C28H36O5_2-Picenecarboxylic acid, 1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydro-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-, (2R,4aS,6aS,12bR,14aS,14bR)-","exact_mass":452.256,"inchikey":"MEUCDRGPRSOAHE-BRUCSKOJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.265533,"smiles":"C[C@]12CC[C@](C)(C[C@H]1[C@]3(C)CC[C@@]4(C)C5=C(C=C(O)C(=C5)O)C(=O)/C=C4/[C@@]3(C)CC2)C(O)=O","spectrum_id":"CCMSLIB00000849718","spectrum_index":2909},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384497-01_C23H26N2O4_2,3-Dimethoxystrychnidin-10-one","exact_mass":394.189,"inchikey":"RRKTZKIUPZVBMF-IBTVXLQLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.198914,"smiles":"COC1=CC2=C(C=C1OC)[C@@]34CC[N@]5CC/6=C/CO[C@H]7CC(=O)N2[C@H]3[C@H]7[C@H]6C[C@@H]45","spectrum_id":"CCMSLIB00000849726","spectrum_index":2910},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384498-01_C38H58O12_(1beta,3beta,9xi,14xi)-3-Hydroxyspirosta-5,25(27)-dien-1-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranoside","exact_mass":706.393,"inchikey":"URTQATADKAKTAX-ZCTCYJARSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":707.400635,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@@H]3C[C@H](O)C\\C4=C\\C[C@@H]5C(CC[C@@]6(C)C5C[C@@H]7O[C@]8(CCC(=C)CO8)[C@@H](C)[C@H]67)[C@@]34C)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849730","spectrum_index":2911},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384498-01_C38H58O12_(1beta,3beta,9xi,14xi)-3-Hydroxyspirosta-5,25(27)-dien-1-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranoside","exact_mass":706.393,"inchikey":"URTQATADKAKTAX-ZCTCYJARSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":724.427429,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@@H]3C[C@H](O)C\\C4=C\\C[C@@H]5C(CC[C@@]6(C)C5C[C@@H]7O[C@]8(CCC(=C)CO8)[C@@H](C)[C@H]67)[C@@]34C)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849732","spectrum_index":2912},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169672-02_C26H28N2O9_14H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-11,14(3H)-dione, 4-ethenyl-3-(beta-D-glucopyranosyloxy)-4,4a,5,5a,6,12-hexahydro-, (3S,4R,4aS,5aS)-","exact_mass":512.18,"inchikey":"ODQBQUXGRYBRTP-FWMZWJSFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":513.18988,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C3/[C@@H](C[C@@H]4N(CC5=C(O)C6=CC=CC=C6N=C45)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849736","spectrum_index":2913},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179890-03_C22H28N2O5_Methyl (16Z)-9-hydroxy-16-(methoxymethylene)-2-oxocorynoxan-17-oate","exact_mass":400.2,"inchikey":"IXWWTVSMMIIIFZ-QINSGFPZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.21051,"smiles":"CCC1CN2CCC3(C2CC1\\C(=C\\OC)C(=O)OC)C(=O)NC4=C3C(=CC=C4)O","spectrum_id":"CCMSLIB00000849739","spectrum_index":2914},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347389-02_C42H72O14_beta-D-Glucopyranoside, (3beta,6alpha,9xi,12beta)-3,12,20-trihydroxydammar-24-en-6-yl 2-O-beta-D-glucopyranosyl-","exact_mass":800.492,"inchikey":"UZIOUZHBUYLDHW-KIOKIGKZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":783.490417,"smiles":"CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)CC3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@H](C[C@@]23C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000849741","spectrum_index":2915},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385808-01_C21H22O5_4-[4,6-Dimethoxy-5-(3-methyl-2-buten-1-yl)-1-benzofuran-2-yl]-1,3-benzenediol","exact_mass":354.147,"inchikey":"DKVBYQAVNNRVNN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.156219,"smiles":"COC1=CC2=C(C=C(O2)C3=C(O)C=C(O)C=C3)C(=C1CC=C(C)C)OC","spectrum_id":"CCMSLIB00000849744","spectrum_index":2916},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385809-01_C15H20O5_4,6-Dihydroxy-5a-methyl-3-methylene-2-oxododecahydronaphtho[1,2-b]furan-9-carbaldehyde","exact_mass":280.131,"inchikey":"PJDABWGWSDUIAM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.167358,"smiles":"CC12CC(O)C3C(OC(=O)C3=C)C1C(CCC2O)C=O","spectrum_id":"CCMSLIB00000849748","spectrum_index":2917},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385812-01_C21H36O10_(2E)-3,7-Dimethyl-2,6-octadien-1-yl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside","exact_mass":448.231,"inchikey":"AWDKYYYAAQQLEF-XRSPUIAPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":466.268036,"smiles":"CC(C)=CCC\\C(C)=C\\CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849750","spectrum_index":2918},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385812-01_C21H36O10_(2E)-3,7-Dimethyl-2,6-octadien-1-yl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside","exact_mass":448.231,"inchikey":"AWDKYYYAAQQLEF-XRSPUIAPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.223053,"smiles":"CC(C)=CCC\\C(C)=C\\CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849754","spectrum_index":2919},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385822-01_C21H34O10_[(1S,5R)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside","exact_mass":446.215,"inchikey":"ZNYZPDGJGQZDPM-RGKUPXSSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":464.252167,"smiles":"CC1(C)[C@@H]2C\\C=C(CO[C@@H]3O[C@H](CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)/[C@H]1C2","spectrum_id":"CCMSLIB00000849756","spectrum_index":2920},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385822-01_C21H34O10_[(1S,5R)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside","exact_mass":446.215,"inchikey":"ZNYZPDGJGQZDPM-RGKUPXSSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.207733,"smiles":"CC1(C)[C@@H]2C\\C=C(CO[C@@H]3O[C@H](CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)/[C@H]1C2","spectrum_id":"CCMSLIB00000849760","spectrum_index":2921},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385823-01_C22H30O6_(6beta)-11,12-Dihydroxy-7,14-dimethoxy-6,20-epoxyabieta-8,11,13-trien-20-one","exact_mass":390.204,"inchikey":"DHNUPRDARUHAJK-HGPVUJHPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.214935,"smiles":"COC1[C@H]2OC(=O)[C@@]3(CCCC(C)(C)[C@H]23)C4=C1C(=C(C(C)C)C(=C4O)O)OC","spectrum_id":"CCMSLIB00000849763","spectrum_index":2922},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169648-02_C17H20O9_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-","exact_mass":368.111,"inchikey":"OHMWGMHIZWOKHV-USACIQFYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":386.146301,"smiles":"OC[C@H]1O[C@@H](OC2=C(CCC(O)=O)C=C3C=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849766","spectrum_index":2923},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169648-02_C17H20O9_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-","exact_mass":368.111,"inchikey":"OHMWGMHIZWOKHV-USACIQFYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.10144,"smiles":"OC[C@H]1O[C@@H](OC2=C(CCC(O)=O)C=C3C=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849769","spectrum_index":2924},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380154-02_C24H21N5O4_2,17'-Dimethyl-1,9a-dihydro-3'H,16'H-spiro[imidazo[1,2-a]indole-9,14'-[13]oxa[2,10,17]triazatetracyclo[10.3.2.0~2,11~.0~4,9~]heptadeca[4,6,8,10]tetraene]-3,3',16'(2H)-trione","exact_mass":443.159,"inchikey":"BOZGEGDMHAOPIQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.168427,"smiles":"CC1NC2N(C1=O)C3=CC=CC=C3C24CC5N\\6C(=O)C7=C(C=CC=C7)\\N=C6C(O4)N(C)C5=O","spectrum_id":"CCMSLIB00000849771","spectrum_index":2925},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380154-02_C24H21N5O4_2,17'-Dimethyl-1,9a-dihydro-3'H,16'H-spiro[imidazo[1,2-a]indole-9,14'-[13]oxa[2,10,17]triazatetracyclo[10.3.2.0~2,11~.0~4,9~]heptadeca[4,6,8,10]tetraene]-3,3',16'(2H)-trione","exact_mass":443.159,"inchikey":"BOZGEGDMHAOPIQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":426.157928,"smiles":"CC1NC2N(C1=O)C3=CC=CC=C3C24CC5N\\6C(=O)C7=C(C=CC=C7)\\N=C6C(O4)N(C)C5=O","spectrum_id":"CCMSLIB00000849775","spectrum_index":2926},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380752-01_C17H30O12_alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 2-(2-methylbutanoate)","exact_mass":426.174,"inchikey":"FNVXTGOURNXUCQ-NVGKCVISSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.164825,"smiles":"CCC(C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000849778","spectrum_index":2927},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380753-01_C16H28O12_6-O-Isobutyryl-alpha-D-glucopyranosyl alpha-D-glucopyranoside","exact_mass":412.158,"inchikey":"FUUXIPLOLSVADM-MMEOWKKZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.14859,"smiles":"CC(C)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849780","spectrum_index":2928},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380754-01_C59H92O30_6-Deoxy-2-O-{6-deoxy-3-O-[(2S,3R,4R)-3-(beta-D-glucopyranosyloxy)-4-hydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-alpha-L-altropyranosyl}-1-O-[3-(beta-D-glucopyranuronosyloxy)-2,22,23-trihydroxy-23,28-dioxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":1280.57,"inchikey":"GYDFFKXZDJBBTA-GVOGRTGSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1281.567017,"smiles":"C[C@H]1O[C@@H](OC(=O)C23CCC4(C)\\C(=C/CC5C6(C)CC(O)C(O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O)C(C)(C6CCC45C)C(O)=O)C2CC(C)(C)CC3O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@H](O[C@@H]9OC[C@](O)(CO)[C@H]9O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]8O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849784","spectrum_index":2929},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380754-01_C59H92O30_6-Deoxy-2-O-{6-deoxy-3-O-[(2S,3R,4R)-3-(beta-D-glucopyranosyloxy)-4-hydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-alpha-L-altropyranosyl}-1-O-[3-(beta-D-glucopyranuronosyloxy)-2,22,23-trihydroxy-23,28-dioxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":1280.57,"inchikey":"GYDFFKXZDJBBTA-GVOGRTGSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1298.595337,"smiles":"C[C@H]1O[C@@H](OC(=O)C23CCC4(C)\\C(=C/CC5C6(C)CC(O)C(O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O)C(C)(C6CCC45C)C(O)=O)C2CC(C)(C)CC3O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@H](O[C@@H]9OC[C@](O)(CO)[C@H]9O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]8O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849787","spectrum_index":2930},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380754-01_C59H92O30_6-Deoxy-2-O-{6-deoxy-3-O-[(2S,3R,4R)-3-(beta-D-glucopyranosyloxy)-4-hydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-alpha-L-altropyranosyl}-1-O-[3-(beta-D-glucopyranuronosyloxy)-2,22,23-trihydroxy-23,28-dioxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":1280.57,"inchikey":"GYDFFKXZDJBBTA-GVOGRTGSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1303.551392,"smiles":"C[C@H]1O[C@@H](OC(=O)C23CCC4(C)\\C(=C/CC5C6(C)CC(O)C(O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O)C(C)(C6CCC45C)C(O)=O)C2CC(C)(C)CC3O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@H](O[C@@H]9OC[C@](O)(CO)[C@H]9O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]8O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849790","spectrum_index":2931},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380757-01_C22H28O13_3-[6-({6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranosyl}oxy)-1-benzofuran-5-yl]propanoic acid","exact_mass":500.153,"inchikey":"NOCZJUUWDACQEY-XWOUNRCYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":501.161987,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=CO4)C=C3CCC(O)=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000849792","spectrum_index":2932},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380757-01_C22H28O13_3-[6-({6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranosyl}oxy)-1-benzofuran-5-yl]propanoic acid","exact_mass":500.153,"inchikey":"NOCZJUUWDACQEY-XWOUNRCYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":518.188721,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=CO4)C=C3CCC(O)=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000849795","spectrum_index":2933},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380757-01_C22H28O13_3-[6-({6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranosyl}oxy)-1-benzofuran-5-yl]propanoic acid","exact_mass":500.153,"inchikey":"NOCZJUUWDACQEY-XWOUNRCYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.143738,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=CO4)C=C3CCC(O)=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000849799","spectrum_index":2934},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380759-01_C23H34O6_","exact_mass":406.236,"inchikey":"VARCUXZWTHLZBR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.244537,"smiles":"CCC(C)CC(=O)OC1C2C(C/C(=C1/C(C)CCCOC(C)=O)C)OC(=O)C2=C","spectrum_id":"CCMSLIB00000849803","spectrum_index":2935},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380759-01_C23H34O6_","exact_mass":406.236,"inchikey":"VARCUXZWTHLZBR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":424.271515,"smiles":"CCC(C)CC(=O)OC1C2C(C/C(=C1/C(C)CCCOC(C)=O)C)OC(=O)C2=C","spectrum_id":"CCMSLIB00000849805","spectrum_index":2936},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380759-01_C23H34O6_","exact_mass":406.236,"inchikey":"VARCUXZWTHLZBR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.226776,"smiles":"CCC(C)CC(=O)OC1C2C(C/C(=C1/C(C)CCCOC(C)=O)C)OC(=O)C2=C","spectrum_id":"CCMSLIB00000849807","spectrum_index":2937},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380760-01_C17H24O7_(3beta,4alpha,8alpha)-3,4,8-Trihydroxy-12,13-epoxytrichothec-9-en-15-yl acetate","exact_mass":340.152,"inchikey":"FCLYQYOJLQDQNA-BNWDXEGFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":358.187866,"smiles":"CC(=O)OC[C@]12C[C@H](O)\\C(=C/[C@H]1O[C@@H]3[C@H](O)[C@@H](O)[C@@]2(C)[C@]34CO4)C","spectrum_id":"CCMSLIB00000849811","spectrum_index":2938},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381271-01_C18H24O4_7-Butyl-6,8-dihydroxy-3-[(3E)-3-penten-1-yl]-3,4-dihydro-1H-isochromen-1-one","exact_mass":304.167,"inchikey":"RNIKQZXKWIZFHL-HWKANZROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.177643,"smiles":"CCCCC1=C(O)C=C2CC(CC\\C=C\\C)OC(=O)C2=C1O","spectrum_id":"CCMSLIB00000849814","spectrum_index":2939},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381271-01_C18H24O4_7-Butyl-6,8-dihydroxy-3-[(3E)-3-penten-1-yl]-3,4-dihydro-1H-isochromen-1-one","exact_mass":304.167,"inchikey":"RNIKQZXKWIZFHL-HWKANZROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.159576,"smiles":"CCCCC1=C(O)C=C2CC(CC\\C=C\\C)OC(=O)C2=C1O","spectrum_id":"CCMSLIB00000849817","spectrum_index":2940},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381274-01_C18H34O12_3-Hydroxy-3-(hydroxymethyl)-4-methylpentyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":442.205,"inchikey":"MHJYRHBCBPGGHL-IFTGIQGKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.215393,"smiles":"CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849820","spectrum_index":2941},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"[1 major product ion, might result in less than ideal matching] NCGC00381274-01_C18H34O12_3-Hydroxy-3-(hydroxymethyl)-4-methylpentyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":442.205,"inchikey":"MHJYRHBCBPGGHL-IFTGIQGKSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.196442,"smiles":"CC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000849822","spectrum_index":2942},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381276-01_C22H34O14_Hexitol, 2,6-anhydro-, 5-[4-(beta-D-glucopyranosyloxy)-2-methylenebutanoate] 1-(4-hydroxy-2-methylenebutanoate)","exact_mass":522.195,"inchikey":"MBPFTSPFFNRGLA-BJXFZFHDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.2052,"smiles":"OCCC(=C)C(=O)OCC1OCC(OC(=O)C(=C)CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)C1O","spectrum_id":"CCMSLIB00000849826","spectrum_index":2943},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381276-01_C22H34O14_Hexitol, 2,6-anhydro-, 5-[4-(beta-D-glucopyranosyloxy)-2-methylenebutanoate] 1-(4-hydroxy-2-methylenebutanoate)","exact_mass":522.195,"inchikey":"MBPFTSPFFNRGLA-BJXFZFHDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.231934,"smiles":"OCCC(=C)C(=O)OCC1OCC(OC(=O)C(=C)CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)C1O","spectrum_id":"CCMSLIB00000849828","spectrum_index":2944},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381276-01_C22H34O14_Hexitol, 2,6-anhydro-, 5-[4-(beta-D-glucopyranosyloxy)-2-methylenebutanoate] 1-(4-hydroxy-2-methylenebutanoate)","exact_mass":522.195,"inchikey":"MBPFTSPFFNRGLA-BJXFZFHDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.186829,"smiles":"OCCC(=C)C(=O)OCC1OCC(OC(=O)C(=C)CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)C1O","spectrum_id":"CCMSLIB00000849832","spectrum_index":2945},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381279-01_C46H74O17_(3beta,5xi,9xi)-23-Hydroxy-16-oxo-13,28-epoxyoleanan-3-yl beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)-alpha-L-arabinopyranoside","exact_mass":898.493,"inchikey":"IYIIGIDPFTYYCU-KGOMWEDNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":899.501404,"smiles":"CC1(C)CC[C@]23CO[C@@]4(CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)CC2=O)[C@@H]3C1","spectrum_id":"CCMSLIB00000849834","spectrum_index":2946},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381280-01_C17H24O10_Phenyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":388.137,"inchikey":"YORZZUYHPOREJM-DCSNAHRYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.173431,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000849838","spectrum_index":2947},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381280-01_C17H24O10_Phenyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":388.137,"inchikey":"YORZZUYHPOREJM-DCSNAHRYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.129181,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000849841","spectrum_index":2948},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381132-01_C23H38O17_","exact_mass":586.211,"inchikey":"IHDCTQODJUDCDH-FPYGCLRLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":604.241028,"smiles":"C/C=C(C)/C(=O)OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000849843","spectrum_index":2949},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381132-01_C23H38O17_","exact_mass":586.211,"inchikey":"IHDCTQODJUDCDH-FPYGCLRLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.196472,"smiles":"C/C=C(C)/C(=O)OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000849846","spectrum_index":2950},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381133-01_C17H28O12_","exact_mass":424.158,"inchikey":"ZMIQCOSRPMWYLS-ZZXKWVIFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.163269,"smiles":"C/C=C(C)/C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000849850","spectrum_index":2951},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381133-01_C17H28O12_","exact_mass":424.158,"inchikey":"ZMIQCOSRPMWYLS-ZZXKWVIFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.153198,"smiles":"C/C=C(C)/C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000849853","spectrum_index":2952},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381133-01_C17H28O12_","exact_mass":424.158,"inchikey":"ZMIQCOSRPMWYLS-ZZXKWVIFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.145172,"smiles":"C/C=C(C)/C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000849856","spectrum_index":2953},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381135-01_C36H50O12_(1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-4,5-bis[(2-methylbutanoyl)oxy]-11-oxatricyclo[7.2.1.0~1,6~]dodec-7-yl benzoate","exact_mass":674.33,"inchikey":"QVQZNEIQAZVOQQ-VCRSAMFGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":657.324097,"smiles":"CCC(C)C(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)C4=CC=CC=C4)[C@]2(COC(C)=O)[C@H]1OC(=O)C(C)CC)[C@H]3OC(C)=O","spectrum_id":"CCMSLIB00000849860","spectrum_index":2954},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381135-01_C36H50O12_(1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-4,5-bis[(2-methylbutanoyl)oxy]-11-oxatricyclo[7.2.1.0~1,6~]dodec-7-yl benzoate","exact_mass":674.33,"inchikey":"QVQZNEIQAZVOQQ-VCRSAMFGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":692.360535,"smiles":"CCC(C)C(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)C4=CC=CC=C4)[C@]2(COC(C)=O)[C@H]1OC(=O)C(C)CC)[C@H]3OC(C)=O","spectrum_id":"CCMSLIB00000849861","spectrum_index":2955},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381138-01_C20H30O5_Oxacyclotetradeca-7,11-diene-2,6,10-trione, 14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-, (7E,11E)-","exact_mass":350.209,"inchikey":"BIGBTKXKWUHWLH-PEGOPYGQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.21579,"smiles":"CCC1OC(=O)C(C)CC(C)C(=O)/C(=C/C(C)C(=O)\\C=C\\C1(C)O)C","spectrum_id":"CCMSLIB00000849864","spectrum_index":2956},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381138-01_C20H30O5_Oxacyclotetradeca-7,11-diene-2,6,10-trione, 14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-, (7E,11E)-","exact_mass":350.209,"inchikey":"BIGBTKXKWUHWLH-PEGOPYGQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.205322,"smiles":"CCC1OC(=O)C(C)CC(C)C(=O)/C(=C/C(C)C(=O)\\C=C\\C1(C)O)C","spectrum_id":"CCMSLIB00000849868","spectrum_index":2957},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381138-01_C20H30O5_Oxacyclotetradeca-7,11-diene-2,6,10-trione, 14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-, (7E,11E)-","exact_mass":350.209,"inchikey":"BIGBTKXKWUHWLH-PEGOPYGQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":368.242096,"smiles":"CCC1OC(=O)C(C)CC(C)C(=O)/C(=C/C(C)C(=O)\\C=C\\C1(C)O)C","spectrum_id":"CCMSLIB00000849871","spectrum_index":2958},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381138-01_C20H30O5_Oxacyclotetradeca-7,11-diene-2,6,10-trione, 14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-, (7E,11E)-","exact_mass":350.209,"inchikey":"BIGBTKXKWUHWLH-PEGOPYGQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.199615,"smiles":"CCC1OC(=O)C(C)CC(C)C(=O)/C(=C/C(C)C(=O)\\C=C\\C1(C)O)C","spectrum_id":"CCMSLIB00000849875","spectrum_index":2959},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381141-01_C26H28N4O5_1H-Imidazo[1,2-a]indole-9-propanoic acid, 2,3,9,9a-tetrahydro-9-hydroxy-2-(2-methylpropyl)-3-oxo-alpha-(4-oxo-3(4H)-quinazolinyl)-, methyl ester","exact_mass":476.206,"inchikey":"XSMFFOWECZCAFL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":477.211731,"smiles":"COC(=O)C(CC1(O)C2NC(CC(C)C)C(=O)N2C3=CC=CC=C13)N4\\C=N/C5=C(C=CC=C5)C4=O","spectrum_id":"CCMSLIB00000849877","spectrum_index":2960},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381152-01_C26H34O7_8,12-Methanocycloocta[3,4]benz[1,2-c]oxepin-8(5H)-carboxylic acid, 3,5a,6,7,7a,9,10,11,12,13,13a,13b-dodecahydro-10-hydroxy-5,5,7a,10,12,13b-hexamethyl-14-methylene-3,9,11-trioxo-, methyl ester","exact_mass":458.23,"inchikey":"SGTJQTPUMKGFFZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":459.235992,"smiles":"COC(=O)C12C(=C)C(C)(CC3C1(C)CCC4C(C)(C)OC(=O)\\C=C/C34C)C(=O)C(C)(O)C2=O","spectrum_id":"CCMSLIB00000849879","spectrum_index":2961},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381154-01_C27H35ClN2O6_6-{7-Acetoxy-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-2(6H)-isoquinolinyl}norleucine","exact_mass":518.218,"inchikey":"QTKJPFQTRUDUFR-DWLYSLLYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.223694,"smiles":"CCC(C)/C=C(C)/C=C/C1=C/C/2=C(Cl)/C(=O)C(C)(OC(C)=O)C(=O)C2=C\\N1CCCCC(N)C(O)=O","spectrum_id":"CCMSLIB00000849883","spectrum_index":2962},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385006-01_C25H36O2_Dicyclopenta[a,d]cycloocten-3(3aH)-one, 7-[(2Z)-1,5-dimethyl-2,4-hexadien-1-yl]-6,6a,7,8,9,9a,10,10a-octahydro-4-(hydroxymethyl)-1,9a-dimethyl-, (4E,6aS,7R,9aR,10aS)-","exact_mass":368.272,"inchikey":"GUXDHNIKRQCWIE-WMZUYDDLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.27829,"smiles":"C[C@@H](\\C=C/C=C(C)C)[C@H]1CC[C@]2(C)C[C@H]\\3C(C(=O)\\C=C3C)\\C(=C/C[C@@H]12)CO","spectrum_id":"CCMSLIB00000849886","spectrum_index":2963},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385006-01_C25H36O2_Dicyclopenta[a,d]cycloocten-3(3aH)-one, 7-[(2Z)-1,5-dimethyl-2,4-hexadien-1-yl]-6,6a,7,8,9,9a,10,10a-octahydro-4-(hydroxymethyl)-1,9a-dimethyl-, (4E,6aS,7R,9aR,10aS)-","exact_mass":368.272,"inchikey":"GUXDHNIKRQCWIE-WMZUYDDLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.268066,"smiles":"C[C@@H](\\C=C/C=C(C)C)[C@H]1CC[C@]2(C)C[C@H]\\3C(C(=O)\\C=C3C)\\C(=C/C[C@@H]12)CO","spectrum_id":"CCMSLIB00000849888","spectrum_index":2964},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385006-01_C25H36O2_Dicyclopenta[a,d]cycloocten-3(3aH)-one, 7-[(2Z)-1,5-dimethyl-2,4-hexadien-1-yl]-6,6a,7,8,9,9a,10,10a-octahydro-4-(hydroxymethyl)-1,9a-dimethyl-, (4E,6aS,7R,9aR,10aS)-","exact_mass":368.272,"inchikey":"GUXDHNIKRQCWIE-WMZUYDDLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.260406,"smiles":"C[C@@H](\\C=C/C=C(C)C)[C@H]1CC[C@]2(C)C[C@H]\\3C(C(=O)\\C=C3C)\\C(=C/C[C@@H]12)CO","spectrum_id":"CCMSLIB00000849892","spectrum_index":2965},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385010-01_C22H29NO12_","exact_mass":499.169,"inchikey":"GUROHWQMGNHVRS-WOBGRXBASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.201721,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2[N]3C=C(CC(O)=O)C4=CC=CC=C34)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849894","spectrum_index":2966},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385010-01_C22H29NO12_","exact_mass":499.169,"inchikey":"GUROHWQMGNHVRS-WOBGRXBASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.156677,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2[N]3C=C(CC(O)=O)C4=CC=CC=C34)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849897","spectrum_index":2967},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385011-01_C27H37NO16_","exact_mass":631.211,"inchikey":"JEKOGXYPZLTPCU-DBSPAIGJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":649.242615,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2CO[C@H]([C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[N]4C=C(CC(O)=O)C5=CC=CC=C45)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849901","spectrum_index":2968},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385011-01_C27H37NO16_","exact_mass":631.211,"inchikey":"JEKOGXYPZLTPCU-DBSPAIGJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":654.197327,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2CO[C@H]([C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[N]4C=C(CC(O)=O)C5=CC=CC=C45)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000849903","spectrum_index":2969},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385012-01_C22H32O8_(1S,4aS,6S,7R,7aS)-6-Acetoxy-4-{[(3-methylbutanoyl)oxy]methyl}-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-1-yl 3-methylbutanoate","exact_mass":424.21,"inchikey":"PHHROXLDZHUIGO-QBOCEEODSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.216553,"smiles":"CC(C)CC(=O)OCC/1=C/O[C@@H](OC(=O)CC(C)C)C2C1C[C@H](OC(C)=O)[C@@]23CO3","spectrum_id":"CCMSLIB00000849907","spectrum_index":2970},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385012-01_C22H32O8_(1S,4aS,6S,7R,7aS)-6-Acetoxy-4-{[(3-methylbutanoyl)oxy]methyl}-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-1-yl 3-methylbutanoate","exact_mass":424.21,"inchikey":"PHHROXLDZHUIGO-QBOCEEODSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.198273,"smiles":"CC(C)CC(=O)OCC/1=C/O[C@@H](OC(=O)CC(C)C)C2C1C[C@H](OC(C)=O)[C@@]23CO3","spectrum_id":"CCMSLIB00000849911","spectrum_index":2971},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385013-01_C16H14O4_1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-(4-methoxyphenyl)-, (3R)-","exact_mass":270.089,"inchikey":"DEFIJGJJJKEYGS-CQSZACIVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.096375,"smiles":"COC1=CC=C(C=C1)[C@H]2CC3=CC=CC(=C3C(=O)O2)O","spectrum_id":"CCMSLIB00000849912","spectrum_index":2972},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385017-01_C26H30O13_1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-4a-hydroxy-6-[[3-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-, (4aR,5R,6S)-","exact_mass":550.169,"inchikey":"GWTQDEWQHCDBEI-FBFHUZFZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":533.16394,"smiles":"COC1=C(O)C=CC(=C1)/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3O\\C=C/4C(=O)OCC[C@@]4(O)[C@H]3C=C)[C@@H]2O","spectrum_id":"CCMSLIB00000849915","spectrum_index":2973},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385019-01_C24H30O13_2H-Pyran-4-acetic acid, 5-carboxy-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-, alpha-[2-(4-hydroxyphenyl)ethyl] ester, (2S,3Z,4S)-","exact_mass":526.169,"inchikey":"JORLYMGTWNNOMY-CRIIYPOOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":527.174377,"smiles":"OC\\C=C1/[C@@H](O\\C=C([C@H]1CC(=O)OCCC2=CC=C(O)C=C2)\\C(O)=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000849918","spectrum_index":2974},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385019-01_C24H30O13_2H-Pyran-4-acetic acid, 5-carboxy-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-, alpha-[2-(4-hydroxyphenyl)ethyl] ester, (2S,3Z,4S)-","exact_mass":526.169,"inchikey":"JORLYMGTWNNOMY-CRIIYPOOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":549.156311,"smiles":"OC\\C=C1/[C@@H](O\\C=C([C@H]1CC(=O)OCCC2=CC=C(O)C=C2)\\C(O)=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000849922","spectrum_index":2975},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384815-01_C32H40O18_","exact_mass":712.221,"inchikey":"QQRZPCAYYGRGJD-WITGCONHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":735.206116,"smiles":"COC1=CC(=C(C=C1)C2C(C(C2C3=CC=C(OC)C=C3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O","spectrum_id":"CCMSLIB00000849924","spectrum_index":2976},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384817-01_C20H28O10_2-Phenylethyl 3-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside","exact_mass":428.168,"inchikey":"WGMNBGJQXOIVGA-HJVQXQJGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.175049,"smiles":"CC(O)(CC(O)=O)CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OCCC2=CC=CC=C2)[C@@H]1O","spectrum_id":"CCMSLIB00000849927","spectrum_index":2977},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384817-01_C20H28O10_2-Phenylethyl 3-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside","exact_mass":428.168,"inchikey":"WGMNBGJQXOIVGA-HJVQXQJGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.156494,"smiles":"CC(O)(CC(O)=O)CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OCCC2=CC=CC=C2)[C@@H]1O","spectrum_id":"CCMSLIB00000849931","spectrum_index":2978},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384818-01_C27H30O11_","exact_mass":530.179,"inchikey":"NNCVVPLZMBGDIK-FQABINTDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":531.184265,"smiles":"OC1CC\\C=C/C1(O)C(=O)OCC2=CC=CC=C2O[C@@H]3O[C@H](COC(=O)C4=CC=CC=C4)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000849933","spectrum_index":2979},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384818-01_C27H30O11_","exact_mass":530.179,"inchikey":"NNCVVPLZMBGDIK-FQABINTDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.166138,"smiles":"OC1CC\\C=C/C1(O)C(=O)OCC2=CC=CC=C2O[C@@H]3O[C@H](COC(=O)C4=CC=CC=C4)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000849937","spectrum_index":2980},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384819-01_C30H36O14_","exact_mass":620.211,"inchikey":"HOBUOCPDAWXJKO-NSMGHZEOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":643.196899,"smiles":"COC1=CC(=CC=C1O)C2OC3=C(OC)C=C(\\C=C\\C(=O)OC[C@H]4O[C@@H](OC(C)(C)C(O)=O)[C@H](O)[C@@H](O)[C@@H]4O)C=C3C2CO","spectrum_id":"CCMSLIB00000849939","spectrum_index":2981},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384820-01_C29H36O10_2-Propenoic acid, 3-[5-(acetyloxy)-9-(3-furanyl)dodecahydro-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxofuro[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-11b(1H)-yl]-, methyl ester, (2E)-","exact_mass":544.231,"inchikey":"XWOZTQQJYJMHSX-DHZHZOJOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.235596,"smiles":"COC(=O)/C=C/C12COC(C)(C)C1C(O)C(OC(C)=O)C3(C)C2CCC4(C)C(OC(=O)C5OC345)C6=COC=C6","spectrum_id":"CCMSLIB00000849942","spectrum_index":2982},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384820-01_C29H36O10_2-Propenoic acid, 3-[5-(acetyloxy)-9-(3-furanyl)dodecahydro-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxofuro[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-11b(1H)-yl]-, methyl ester, (2E)-","exact_mass":544.231,"inchikey":"XWOZTQQJYJMHSX-DHZHZOJOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":527.225281,"smiles":"COC(=O)/C=C/C12COC(C)(C)C1C(O)C(OC(C)=O)C3(C)C2CCC4(C)C(OC(=O)C5OC345)C6=COC=C6","spectrum_id":"CCMSLIB00000849946","spectrum_index":2983},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384820-01_C29H36O10_2-Propenoic acid, 3-[5-(acetyloxy)-9-(3-furanyl)dodecahydro-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxofuro[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-11b(1H)-yl]-, methyl ester, (2E)-","exact_mass":544.231,"inchikey":"XWOZTQQJYJMHSX-DHZHZOJOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":562.262878,"smiles":"COC(=O)/C=C/C12COC(C)(C)C1C(O)C(OC(C)=O)C3(C)C2CCC4(C)C(OC(=O)C5OC345)C6=COC=C6","spectrum_id":"CCMSLIB00000849949","spectrum_index":2984},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384820-01_C29H36O10_2-Propenoic acid, 3-[5-(acetyloxy)-9-(3-furanyl)dodecahydro-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxofuro[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-11b(1H)-yl]-, methyl ester, (2E)-","exact_mass":544.231,"inchikey":"XWOZTQQJYJMHSX-DHZHZOJOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":567.217468,"smiles":"COC(=O)/C=C/C12COC(C)(C)C1C(O)C(OC(C)=O)C3(C)C2CCC4(C)C(OC(=O)C5OC345)C6=COC=C6","spectrum_id":"CCMSLIB00000849951","spectrum_index":2985},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384821-01_C16H18O8_Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3R,4S,5R)-","exact_mass":338.1,"inchikey":"BMRSEYFENKXDIS-QHAYPTCMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.107239,"smiles":"O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\\C=C\\C2=CC=C(O)C=C2)[C@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000849955","spectrum_index":2986},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384821-01_C16H18O8_Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3R,4S,5R)-","exact_mass":338.1,"inchikey":"BMRSEYFENKXDIS-QHAYPTCMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.089111,"smiles":"O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\\C=C\\C2=CC=C(O)C=C2)[C@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000849957","spectrum_index":2987},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384823-01_C25H32O11_","exact_mass":508.194,"inchikey":"MJPYNCPSXRTGEE-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":509.200195,"smiles":"CC/1=C/OC(OC2OC(CO)C(O)C(O)C2O)C3C(CO)CC(OC(=O)\\C=C\\C4=CC=C(O)C=C4)C13","spectrum_id":"CCMSLIB00000849961","spectrum_index":2988},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347530-02_C20H30O8_Picras-4-en-16-one, 1,2,11,12,14,15-hexahydroxy-, (1beta,2alpha,9xi,11beta,12alpha,15beta)-","exact_mass":398.194,"inchikey":"KHGBORGCCDJDRD-RLFHBHCYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.203217,"smiles":"C[C@H]1[C@@H](O)[C@H](O)C2[C@@]\\3(C)[C@H](O)[C@@H](O)C\\C(=C3C[C@H]4OC(=O)[C@H](O)[C@]1(O)[C@@]24C)C","spectrum_id":"CCMSLIB00000849966","spectrum_index":2989},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347850-02_C26H42O6_2-(4a-Methyl-8-methylenedecahydro-2-naphthalenyl)-2-propanyl 6-deoxy-2-O-[(2E)-2-methyl-2-butenoyl]hexopyranoside","exact_mass":450.298,"inchikey":"QKRNXYDUTFTSBG-NVNXTCNLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":468.333099,"smiles":"C\\C=C(\\C)C(=O)OC1C(O)C(O)C(C)OC1OC(C)(C)C2CCC3(C)CCCC(=C)C3C2","spectrum_id":"CCMSLIB00000849970","spectrum_index":2990},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347850-02_C26H42O6_2-(4a-Methyl-8-methylenedecahydro-2-naphthalenyl)-2-propanyl 6-deoxy-2-O-[(2E)-2-methyl-2-butenoyl]hexopyranoside","exact_mass":450.298,"inchikey":"QKRNXYDUTFTSBG-NVNXTCNLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":473.289124,"smiles":"C\\C=C(\\C)C(=O)OC1C(O)C(O)C(C)OC1OC(C)(C)C2CCC3(C)CCCC(=C)C3C2","spectrum_id":"CCMSLIB00000849973","spectrum_index":2991},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384763-01_C54H86O24_1-O-(3-{[Hexopyranosyl-(1->3)-[hexopyranosyl-(1->4)]hexopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl)hexopyranose","exact_mass":1118.55,"inchikey":"PXGJYJGHNZFNDH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1119.550537,"smiles":"CC1(C)CCC2(CCC3(C)\\C(=C/CC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(OC8OC(CO)C(O)C(O)C8O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC9OC(CO)C(O)C(O)C9O","spectrum_id":"CCMSLIB00000849975","spectrum_index":2992},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384763-01_C54H86O24_1-O-(3-{[Hexopyranosyl-(1->3)-[hexopyranosyl-(1->4)]hexopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl)hexopyranose","exact_mass":1118.55,"inchikey":"PXGJYJGHNZFNDH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1141.532227,"smiles":"CC1(C)CCC2(CCC3(C)\\C(=C/CC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(OC8OC(CO)C(O)C(O)C8O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC9OC(CO)C(O)C(O)C9O","spectrum_id":"CCMSLIB00000849978","spectrum_index":2993},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384765-01_C20H32O9_(1beta,2alpha,4xi,5xi,9xi,11alpha,12alpha,13xi,15beta)-1,2,4,11,12,14,15-Heptahydroxypicrasan-16-one","exact_mass":416.205,"inchikey":"BILZREJNQHDKIP-STQAIURBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.213776,"smiles":"CC1[C@@H](O)[C@@H](O)C2[C@@]3(C)[C@H](O)[C@@H](O)CC(C)(O)C3C[C@H]4OC(=O)[C@H](O)[C@]1(O)[C@@]24C","spectrum_id":"CCMSLIB00000849981","spectrum_index":2994},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384770-01_C19H28O13_5-Hydroxy-2,3-dimethoxyphenyl 4-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":464.153,"inchikey":"BQJJPVDDTHRUBT-DGBPOTMESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.16217,"smiles":"COC1=C(OC)C(=CC(=C1)O)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000849988","spectrum_index":2995},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384770-01_C19H28O13_5-Hydroxy-2,3-dimethoxyphenyl 4-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":464.153,"inchikey":"BQJJPVDDTHRUBT-DGBPOTMESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.143799,"smiles":"COC1=C(OC)C(=CC(=C1)O)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000849991","spectrum_index":2996},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384772-01_C23H26O12_6-Hydroxy-1-{[6-O-(4-hydroxybenzoyl)-beta-D-glucopyranosyl]oxy}-7-methylene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":494.142,"inchikey":"AEYUKLGVHVHAGC-LBOYDTAGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":495.151123,"smiles":"OC1CC\\2C(C(O\\C=C2C(O)=O)O[C@@H]3O[C@H](COC(=O)C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)C1=C","spectrum_id":"CCMSLIB00000849993","spectrum_index":2997},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384772-01_C23H26O12_6-Hydroxy-1-{[6-O-(4-hydroxybenzoyl)-beta-D-glucopyranosyl]oxy}-7-methylene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":494.142,"inchikey":"AEYUKLGVHVHAGC-LBOYDTAGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":477.140259,"smiles":"OC1CC\\2C(C(O\\C=C2C(O)=O)O[C@@H]3O[C@H](COC(=O)C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)C1=C","spectrum_id":"CCMSLIB00000849996","spectrum_index":2998},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384772-01_C23H26O12_6-Hydroxy-1-{[6-O-(4-hydroxybenzoyl)-beta-D-glucopyranosyl]oxy}-7-methylene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":494.142,"inchikey":"AEYUKLGVHVHAGC-LBOYDTAGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.132507,"smiles":"OC1CC\\2C(C(O\\C=C2C(O)=O)O[C@@H]3O[C@H](COC(=O)C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)C1=C","spectrum_id":"CCMSLIB00000849999","spectrum_index":2999},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384773-01_C21H28O9_2-Hydroxycyclohexyl 2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside","exact_mass":424.173,"inchikey":"ZTMPDTJBTNGZJH-CBUJGKTRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.164368,"smiles":"OC[C@H]1O[C@@H](OC2CCCCC2O)[C@H](OC(=O)\\C=C\\C3=CC=C(O)C=C3)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000850003","spectrum_index":3000},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00161642-03_C30H48O5_Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, (2alpha,3beta,5xi,9xi,18xi)-","exact_mass":488.35,"inchikey":"JXSVIVRDWWRQRT-BEELBYNOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.346619,"smiles":"C[C@@H]1CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2[C@H]1C)C(O)=O","spectrum_id":"CCMSLIB00000850005","spectrum_index":3001},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168812-02_C30H48O3_Olean-12-en-28-oic acid, 3-hydroxy-, (3beta,5xi,9xi,18xi)-","exact_mass":456.36,"inchikey":"MIJYXULNPSFWEK-FQRDBSNUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.356415,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O","spectrum_id":"CCMSLIB00000850008","spectrum_index":3002},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168953-02_C47H76O17_(3beta,5xi,9xi,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid","exact_mass":912.508,"inchikey":"IBZLICPLPYSFNZ-HDKBWNSDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":913.50885,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C7\\[C@@H]8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@@]67C)[C@@]4(C)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000850011","spectrum_index":3003},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347399-02_C48H76O19_beta-D-Glucopyranose, 1-O-[(3beta,5xi,9xi,18xi)-3-[(3-O-beta-D-galactopyranosyl-beta-D-glucopyranuronosyl)oxy]-28-oxoolean-12-en-28-yl]-","exact_mass":956.498,"inchikey":"QZMAEZWZCGBZFK-VPQYALDZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":957.498901,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(O)=O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000850015","spectrum_index":3004},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347399-02_C48H76O19_beta-D-Glucopyranose, 1-O-[(3beta,5xi,9xi,18xi)-3-[(3-O-beta-D-galactopyranosyl-beta-D-glucopyranuronosyl)oxy]-28-oxoolean-12-en-28-yl]-","exact_mass":956.498,"inchikey":"QZMAEZWZCGBZFK-VPQYALDZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":979.48053,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(O)=O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000850018","spectrum_index":3005},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385160-01_C19H26O11_1,5-Anhydro-2-O-(6-O-benzoyl-alpha-D-galactopyranosyl)-D-glucitol","exact_mass":430.148,"inchikey":"RXRSNDCGNOOFLH-VZNNHAMSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.154968,"smiles":"OC[C@H]1OC[C@H](O[C@H]2O[C@H](COC(=O)C3=CC=CC=C3)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000850020","spectrum_index":3006},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385160-01_C19H26O11_1,5-Anhydro-2-O-(6-O-benzoyl-alpha-D-galactopyranosyl)-D-glucitol","exact_mass":430.148,"inchikey":"RXRSNDCGNOOFLH-VZNNHAMSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":448.181335,"smiles":"OC[C@H]1OC[C@H](O[C@H]2O[C@H](COC(=O)C3=CC=CC=C3)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000850024","spectrum_index":3007},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385160-01_C19H26O11_1,5-Anhydro-2-O-(6-O-benzoyl-alpha-D-galactopyranosyl)-D-glucitol","exact_mass":430.148,"inchikey":"RXRSNDCGNOOFLH-VZNNHAMSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.136322,"smiles":"OC[C@H]1OC[C@H](O[C@H]2O[C@H](COC(=O)C3=CC=CC=C3)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000850026","spectrum_index":3008},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179819-03_C25H30O9_(4R,6aR,9S,9aR,9bR)-9-Methyl-3,6-bis(methylene)-2,8-dioxododecahydroazuleno[4,5-b]furan-4-yl (2E)-4-hydroxy-2-({[(2E)-4-hydroxy-2-methyl-2-butenoyl]oxy}methyl)-2-butenoate","exact_mass":474.189,"inchikey":"VUJFFBGJRUFEKJ-OVPBRRTDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.197845,"smiles":"C[C@H]1[C@@H]2[C@H]3OC(=O)C(=C)C3[C@@H](CC(=C)[C@@H]2CC1=O)OC(=O)\\C(COC(=O)\\C(C)=C\\CO)=C\\CO","spectrum_id":"CCMSLIB00000850030","spectrum_index":3009},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179819-03_C25H30O9_(4R,6aR,9S,9aR,9bR)-9-Methyl-3,6-bis(methylene)-2,8-dioxododecahydroazuleno[4,5-b]furan-4-yl (2E)-4-hydroxy-2-({[(2E)-4-hydroxy-2-methyl-2-butenoyl]oxy}methyl)-2-butenoate","exact_mass":474.189,"inchikey":"VUJFFBGJRUFEKJ-OVPBRRTDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.186829,"smiles":"C[C@H]1[C@@H]2[C@H]3OC(=O)C(=C)C3[C@@H](CC(=C)[C@@H]2CC1=O)OC(=O)\\C(COC(=O)\\C(C)=C\\CO)=C\\CO","spectrum_id":"CCMSLIB00000850033","spectrum_index":3010},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380454-01_C17H24O11_2H-Pyran-4-acetic acid, 3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, (2S,3R,4S)-","exact_mass":404.132,"inchikey":"MQLSOVRLZHTATK-PEYNGXJCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.140503,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1CC(O)=O","spectrum_id":"CCMSLIB00000850036","spectrum_index":3011},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380454-01_C17H24O11_2H-Pyran-4-acetic acid, 3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, (2S,3R,4S)-","exact_mass":404.132,"inchikey":"MQLSOVRLZHTATK-PEYNGXJCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.122009,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1CC(O)=O","spectrum_id":"CCMSLIB00000850039","spectrum_index":3012},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380455-01_C54H88O22_beta-D-Glucopyranoside, (3beta,5xi,9xi,16beta)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->3)]-","exact_mass":1088.58,"inchikey":"QKBNQKFVZBEPIH-FXLKGUOQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1089.581787,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5\\C=C/[C@]78OC[C@@]9(CCC(C)(C)C[C@@H]79)[C@@H](O)C[C@@]68C)[C@]4(C)CO)[C@@H]3O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000850042","spectrum_index":3013},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380455-01_C54H88O22_beta-D-Glucopyranoside, (3beta,5xi,9xi,16beta)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->3)]-","exact_mass":1088.58,"inchikey":"QKBNQKFVZBEPIH-FXLKGUOQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1111.562378,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5\\C=C/[C@]78OC[C@@]9(CCC(C)(C)C[C@@H]79)[C@@H](O)C[C@@]68C)[C@]4(C)CO)[C@@H]3O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000850045","spectrum_index":3014},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380456-01_C36H58O11_Hexopyranose, 1-O-(20,24-epoxy-1,3,25-trihydroxy-28-oxo-9,19-cyclolanostan-28-yl)-","exact_mass":666.398,"inchikey":"YAJZEISZRAKFLZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":684.43219,"smiles":"CC(C)(O)C1CCC(C)(O1)C2CCC3(C)C4CCC5C(C)(C(O)CC(O)C56CC46CCC23C)C(=O)OC7OC(CO)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000850047","spectrum_index":3015},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380456-01_C36H58O11_Hexopyranose, 1-O-(20,24-epoxy-1,3,25-trihydroxy-28-oxo-9,19-cyclolanostan-28-yl)-","exact_mass":666.398,"inchikey":"YAJZEISZRAKFLZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":689.388428,"smiles":"CC(C)(O)C1CCC(C)(O1)C2CCC3(C)C4CCC5C(C)(C(O)CC(O)C56CC46CCC23C)C(=O)OC7OC(CO)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000850051","spectrum_index":3016},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380458-01_C30H42O10_Butanoic acid, (1R,3aR,3bS,4aR,6S,7S,7aR,8R,8aR,9aR)-1,4a,8-tris(acetyloxy)tetradecahydro-2,2,3b,6,8a-pentamethyl-4,9-dioxo-1H-cyclopent[a]-s-indacen-7-yl ester","exact_mass":562.278,"inchikey":"JQCBBCVOQHOGTI-HROOPKDASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.286377,"smiles":"CCCC(=O)O[C@H]1[C@@H](C)C[C@@]2(OC(C)=O)[C@H]1[C@@H](OC(C)=O)[C@]3(C)C(=O)[C@@H]4[C@@H](CC(C)(C)[C@@H]4OC(C)=O)[C@]3(C)C2=O","spectrum_id":"CCMSLIB00000850053","spectrum_index":3017},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380458-01_C30H42O10_Butanoic acid, (1R,3aR,3bS,4aR,6S,7S,7aR,8R,8aR,9aR)-1,4a,8-tris(acetyloxy)tetradecahydro-2,2,3b,6,8a-pentamethyl-4,9-dioxo-1H-cyclopent[a]-s-indacen-7-yl ester","exact_mass":562.278,"inchikey":"JQCBBCVOQHOGTI-HROOPKDASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":580.312561,"smiles":"CCCC(=O)O[C@H]1[C@@H](C)C[C@@]2(OC(C)=O)[C@H]1[C@@H](OC(C)=O)[C@]3(C)C(=O)[C@@H]4[C@@H](CC(C)(C)[C@@H]4OC(C)=O)[C@]3(C)C2=O","spectrum_id":"CCMSLIB00000850056","spectrum_index":3018},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380458-01_C30H42O10_Butanoic acid, (1R,3aR,3bS,4aR,6S,7S,7aR,8R,8aR,9aR)-1,4a,8-tris(acetyloxy)tetradecahydro-2,2,3b,6,8a-pentamethyl-4,9-dioxo-1H-cyclopent[a]-s-indacen-7-yl ester","exact_mass":562.278,"inchikey":"JQCBBCVOQHOGTI-HROOPKDASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":585.2677,"smiles":"CCCC(=O)O[C@H]1[C@@H](C)C[C@@]2(OC(C)=O)[C@H]1[C@@H](OC(C)=O)[C@]3(C)C(=O)[C@@H]4[C@@H](CC(C)(C)[C@@H]4OC(C)=O)[C@]3(C)C2=O","spectrum_id":"CCMSLIB00000850060","spectrum_index":3019},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380465-01_C38H64O17_Hexopyranoside, 1-[7-[[4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-2,4b,8,8-tetramethyl-2-phenanthrenyl]-2-hydroxyethyl","exact_mass":792.414,"inchikey":"IYTSQVVPSDQONH-BINIWEQPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":793.420898,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC3CCC4(C)C\\5CCC(C)(CC5=C/CC4C3(C)C)C(CO)OC6OC(CO)C(O)C(O)C6O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000850063","spectrum_index":3020},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380465-01_C38H64O17_Hexopyranoside, 1-[7-[[4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-2,4b,8,8-tetramethyl-2-phenanthrenyl]-2-hydroxyethyl","exact_mass":792.414,"inchikey":"IYTSQVVPSDQONH-BINIWEQPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":810.446899,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC3CCC4(C)C\\5CCC(C)(CC5=C/CC4C3(C)C)C(CO)OC6OC(CO)C(O)C(O)C6O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000850066","spectrum_index":3021},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380465-01_C38H64O17_Hexopyranoside, 1-[7-[[4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-2,4b,8,8-tetramethyl-2-phenanthrenyl]-2-hydroxyethyl","exact_mass":792.414,"inchikey":"IYTSQVVPSDQONH-BINIWEQPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":815.403381,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC3CCC4(C)C\\5CCC(C)(CC5=C/CC4C3(C)C)C(CO)OC6OC(CO)C(O)C(O)C6O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000850069","spectrum_index":3022},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380467-01_C26H30O13_2H-Pyran-4-acetic acid, 5-carboxy-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-[2-[[(2Z)-1-oxo-3-phenyl-2-propen-1-yl]oxy]ethylidene]-, alpha-methyl ester, (2S,3Z,4S)-","exact_mass":550.169,"inchikey":"JGHUOJAZXGSFRI-YRSKKGSUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.177124,"smiles":"COC(=O)C[C@H]\\1C(=C/COC(=O)\\C=C/C2=CC=CC=C2)/[C@@H](O\\C=C1C(O)=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000850072","spectrum_index":3023},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380467-01_C26H30O13_2H-Pyran-4-acetic acid, 5-carboxy-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-[2-[[(2Z)-1-oxo-3-phenyl-2-propen-1-yl]oxy]ethylidene]-, alpha-methyl ester, (2S,3Z,4S)-","exact_mass":550.169,"inchikey":"JGHUOJAZXGSFRI-YRSKKGSUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":568.20459,"smiles":"COC(=O)C[C@H]\\1C(=C/COC(=O)\\C=C/C2=CC=CC=C2)/[C@@H](O\\C=C1C(O)=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000850074","spectrum_index":3024},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380467-01_C26H30O13_2H-Pyran-4-acetic acid, 5-carboxy-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-[2-[[(2Z)-1-oxo-3-phenyl-2-propen-1-yl]oxy]ethylidene]-, alpha-methyl ester, (2S,3Z,4S)-","exact_mass":550.169,"inchikey":"JGHUOJAZXGSFRI-YRSKKGSUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":573.159119,"smiles":"COC(=O)C[C@H]\\1C(=C/COC(=O)\\C=C/C2=CC=CC=C2)/[C@@H](O\\C=C1C(O)=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000850078","spectrum_index":3025},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380468-01_C27H36O14_1,3-Cyclohexanedione, 5-hydroxy-6-(2-hydroxy-2-methylpropylidene)-2,2,4,4-tetramethyl-5-[[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-, (6Z)-","exact_mass":584.211,"inchikey":"XYLREKXEZFHHSV-VSIUDGCKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":567.208435,"smiles":"CC(C)(O)/C=C1/C(=O)C(C)(C)C(=O)C(C)(C)C1(O)O[C@@H]2O[C@H](COC(=O)C3=CC(=C(O)C(=C3)O)O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000850080","spectrum_index":3026},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381099-01_C15H17NO5_Benzoic acid, 4-[[tetrahydro-2-[(2E)-1-hydroxy-2-buten-1-yl]-5-oxo-3-furanyl]amino]-","exact_mass":291.111,"inchikey":"BYCOQXVBFQHWPL-NSCUHMNNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":292.117371,"smiles":"C/C=C/C(O)C1OC(=O)CC1NC2=CC=C(C=C2)C(O)=O","spectrum_id":"CCMSLIB00000850083","spectrum_index":3027},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381099-01_C15H17NO5_Benzoic acid, 4-[[tetrahydro-2-[(2E)-1-hydroxy-2-buten-1-yl]-5-oxo-3-furanyl]amino]-","exact_mass":291.111,"inchikey":"BYCOQXVBFQHWPL-NSCUHMNNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.106781,"smiles":"C/C=C/C(O)C1OC(=O)CC1NC2=CC=C(C=C2)C(O)=O","spectrum_id":"CCMSLIB00000850087","spectrum_index":3028},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381101-01_C22H40O11_(3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":480.257,"inchikey":"VUGMGEQWBOCMAV-QLEKUEJFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.263489,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCC/C(C)=C/CCC(C)(C)O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000850090","spectrum_index":3029},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381101-01_C22H40O11_(3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":480.257,"inchikey":"VUGMGEQWBOCMAV-QLEKUEJFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.252533,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCC/C(C)=C/CCC(C)(C)O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000850092","spectrum_index":3030},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381101-01_C22H40O11_(3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":480.257,"inchikey":"VUGMGEQWBOCMAV-QLEKUEJFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.244446,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCC/C(C)=C/CCC(C)(C)O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000850096","spectrum_index":3031},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381102-01_C52H82O22_","exact_mass":1058.53,"inchikey":"WOXFKHSZHQXBRF-FTRRJRRLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1059.528564,"smiles":"CC1OC(OC2C(O)C(CO)OC2OC(=O)[C@]34CCC(C)(C)C[C@H]3C/5=C/CC6[C@@]7(C)CC[C@H](OC8OC(C(O)C(O)C8O)C(O)=O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)CC4O)C(O)C(O)C1OC9OCC(O)C(O)C9O","spectrum_id":"CCMSLIB00000850098","spectrum_index":3032},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381102-01_C52H82O22_","exact_mass":1058.53,"inchikey":"WOXFKHSZHQXBRF-FTRRJRRLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1081.509155,"smiles":"CC1OC(OC2C(O)C(CO)OC2OC(=O)[C@]34CCC(C)(C)C[C@H]3C/5=C/CC6[C@@]7(C)CC[C@H](OC8OC(C(O)C(O)C8O)C(O)=O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)CC4O)C(O)C(O)C1OC9OCC(O)C(O)C9O","spectrum_id":"CCMSLIB00000850101","spectrum_index":3033},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381105-01_C15H24O4_2-(4,8-Dihydroxy-4a,8-dimethyldecahydro-2-naphthalenyl)acrylic acid","exact_mass":268.167,"inchikey":"MQVIVQPBSOYUPI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.156219,"smiles":"CC1(O)CCCC2(C)C(O)CC(CC12)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000850105","spectrum_index":3034},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381107-01_C42H72O13_beta-D-Glucopyranoside, (3beta,12beta)-12,20-dihydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-","exact_mass":784.497,"inchikey":"RWXIFXNRCLMQCD-FGRCLSQZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":785.49939,"smiles":"CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)CC3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]4CC[C@@]23C","spectrum_id":"CCMSLIB00000850108","spectrum_index":3035},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381107-01_C42H72O13_beta-D-Glucopyranoside, (3beta,12beta)-12,20-dihydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-","exact_mass":784.497,"inchikey":"RWXIFXNRCLMQCD-FGRCLSQZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":767.489624,"smiles":"CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)CC3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]4CC[C@@]23C","spectrum_id":"CCMSLIB00000850110","spectrum_index":3036},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381107-01_C42H72O13_beta-D-Glucopyranoside, (3beta,12beta)-12,20-dihydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-","exact_mass":784.497,"inchikey":"RWXIFXNRCLMQCD-FGRCLSQZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":807.481873,"smiles":"CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)CC3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]4CC[C@@]23C","spectrum_id":"CCMSLIB00000850114","spectrum_index":3037},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381108-01_C22H24O4_1,2-Cyclohexanediol, 3,6-diphenyl-, diacetate","exact_mass":352.167,"inchikey":"FUSHLLXGTXLRMJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":370.200348,"smiles":"CC(=O)OC1C(CCC(C1OC(C)=O)C2=CC=CC=C2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000850117","spectrum_index":3038},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381108-01_C22H24O4_1,2-Cyclohexanediol, 3,6-diphenyl-, diacetate","exact_mass":352.167,"inchikey":"FUSHLLXGTXLRMJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.155945,"smiles":"CC(=O)OC1C(CCC(C1OC(C)=O)C2=CC=CC=C2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000850119","spectrum_index":3039},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381111-01_C23H38N4O6_1-[(2E,4E)-6,7-Dihydroxy-2,4-octadienoyl]prolyl-N-methylvalyl-N~2~-methylalaninamide","exact_mass":466.279,"inchikey":"YHEIGYJZSXWHJB-MKICQXMISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":467.285248,"smiles":"CC(C)C(N(C)C(=O)C1CCCN1C(=O)\\C=C\\C=C\\C(O)C(C)O)C(=O)N(C)C(C)C(N)=O","spectrum_id":"CCMSLIB00000850123","spectrum_index":3040},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381111-01_C23H38N4O6_1-[(2E,4E)-6,7-Dihydroxy-2,4-octadienoyl]prolyl-N-methylvalyl-N~2~-methylalaninamide","exact_mass":466.279,"inchikey":"YHEIGYJZSXWHJB-MKICQXMISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.266602,"smiles":"CC(C)C(N(C)C(=O)C1CCCN1C(=O)\\C=C\\C=C\\C(O)C(C)O)C(=O)N(C)C(C)C(N)=O","spectrum_id":"CCMSLIB00000850126","spectrum_index":3041},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381113-01_C19H20O6_11-Methyl-2,7-bis(methylene)-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradec-1(13)-en-9-yl methacrylate","exact_mass":344.126,"inchikey":"FDLLEBFMOIHMNM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.132507,"smiles":"CC(=C)C(=O)OC1CC2(C)OC(=C/C2=O)/C(=C)CC3OC(=O)C(=C)C13","spectrum_id":"CCMSLIB00000850129","spectrum_index":3042},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381113-01_C19H20O6_11-Methyl-2,7-bis(methylene)-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradec-1(13)-en-9-yl methacrylate","exact_mass":344.126,"inchikey":"FDLLEBFMOIHMNM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.158997,"smiles":"CC(=C)C(=O)OC1CC2(C)OC(=C/C2=O)/C(=C)CC3OC(=O)C(=C)C13","spectrum_id":"CCMSLIB00000850132","spectrum_index":3043},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169062-04_C16H18O6_3H-Oxireno[h][3]benzoxacyclododecin-7,13(2H,8H)-dione, 1a,4,5,13a-tetrahydro-10,12-dihydroxy-5-methyl-","exact_mass":306.11,"inchikey":"BVDHPBILFRQGEC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.118103,"smiles":"CC1CCCC2OC2C(=O)C3=C(CC(=O)O1)C=C(O)C=C3O","spectrum_id":"CCMSLIB00000850135","spectrum_index":3044},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169062-04_C16H18O6_3H-Oxireno[h][3]benzoxacyclododecin-7,13(2H,8H)-dione, 1a,4,5,13a-tetrahydro-10,12-dihydroxy-5-methyl-","exact_mass":306.11,"inchikey":"BVDHPBILFRQGEC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.100159,"smiles":"CC1CCCC2OC2C(=O)C3=C(CC(=O)O1)C=C(O)C=C3O","spectrum_id":"CCMSLIB00000850138","spectrum_index":3045},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169336-02_C24H28O12_2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-glucopyranosyloxy)-1b,5a,6,6a-tetrahydro-6-hydroxyoxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl ester, (2E)-","exact_mass":508.158,"inchikey":"MVTLXFDHKDVAIC-LQQBYVAQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":509.164642,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3[C@H](O)[C@@H]4O[C@]4(COC(=O)\\C=C\\C5=CC=C(O)C=C5)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000850141","spectrum_index":3046},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169336-02_C24H28O12_2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-glucopyranosyloxy)-1b,5a,6,6a-tetrahydro-6-hydroxyoxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl ester, (2E)-","exact_mass":508.158,"inchikey":"MVTLXFDHKDVAIC-LQQBYVAQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":531.145935,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3[C@H](O)[C@@H]4O[C@]4(COC(=O)\\C=C\\C5=CC=C(O)C=C5)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000850144","spectrum_index":3047},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169820-03_C42H66O14_Hexopyranose, 1-O-[3-[(6-deoxyhexopyranosyl)oxy]-27-hydroxy-27,28-dioxoolean-12-en-28-yl]-","exact_mass":794.445,"inchikey":"ZCBRYYRPNSHPER-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":817.42926,"smiles":"CC1OC(OC2CCC3(C)C(CCC4(C)C3C\\C=C5\\C6CC(C)(C)CCC6(CCC45C(O)=O)C(=O)OC7OC(CO)C(O)C(O)C7O)C2(C)C)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000850147","spectrum_index":3048},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180485-03_C21H32O4_(5beta,8alpha,9beta,10alpha,13alpha)-18-Methoxy-18-oxokauran-17-oic acid","exact_mass":348.23,"inchikey":"YDAVVXOXSSFVPF-BBBHLOGDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.237823,"smiles":"COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]34C[C@@H](CC[C@@H]23)[C@@H](C4)C(O)=O","spectrum_id":"CCMSLIB00000850149","spectrum_index":3049},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180485-03_C21H32O4_(5beta,8alpha,9beta,10alpha,13alpha)-18-Methoxy-18-oxokauran-17-oic acid","exact_mass":348.23,"inchikey":"YDAVVXOXSSFVPF-BBBHLOGDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.226746,"smiles":"COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]34C[C@@H](CC[C@@H]23)[C@@H](C4)C(O)=O","spectrum_id":"CCMSLIB00000850153","spectrum_index":3050},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180485-03_C21H32O4_(5beta,8alpha,9beta,10alpha,13alpha)-18-Methoxy-18-oxokauran-17-oic acid","exact_mass":348.23,"inchikey":"YDAVVXOXSSFVPF-BBBHLOGDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.219879,"smiles":"COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]34C[C@@H](CC[C@@H]23)[C@@H](C4)C(O)=O","spectrum_id":"CCMSLIB00000850155","spectrum_index":3051},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384683-01_C30H50O_Lup-20(29)-en-3-ol, (3alpha)-","exact_mass":426.386,"inchikey":"MQYXUWHLBZFQQO-ISZJTHHZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.38327,"smiles":"CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12","spectrum_id":"CCMSLIB00000850158","spectrum_index":3052},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384684-01_C12H16O4_4-Pentene-2,3-diol, 5-[3-hydroxy-2-(hydroxymethyl)phenyl]-, (2S,3R,4E)-","exact_mass":224.105,"inchikey":"MCAIMPGCWVIODY-PHTUBKJSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.094299,"smiles":"C[C@H](O)[C@H](O)/C=C/C1=CC=CC(=C1CO)O","spectrum_id":"CCMSLIB00000850161","spectrum_index":3053},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384692-01_C32H42O17_beta-D-Glucopyranoside, 6-[[6-deoxy-3-O-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl","exact_mass":698.242,"inchikey":"ATVXWIBQUWJBAT-USTGJSRQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":699.246155,"smiles":"COC1=CC=C(\\C=C\\C(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OC3C4\\C=C/OC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4C6(CO)OC36)[C@@H]2O)C=C1OC","spectrum_id":"CCMSLIB00000850164","spectrum_index":3054},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384692-01_C32H42O17_beta-D-Glucopyranoside, 6-[[6-deoxy-3-O-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl","exact_mass":698.242,"inchikey":"ATVXWIBQUWJBAT-USTGJSRQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":721.228577,"smiles":"COC1=CC=C(\\C=C\\C(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OC3C4\\C=C/OC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4C6(CO)OC36)[C@@H]2O)C=C1OC","spectrum_id":"CCMSLIB00000850168","spectrum_index":3055},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384694-01_C19H36O11_beta-D-Glucopyranoside, 3-ethyl-4-hydroxy-4-methylpentyl 6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":440.226,"inchikey":"ZHOUHFMRWBOCFO-RPIGWSNLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.233185,"smiles":"CCC(CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O","spectrum_id":"CCMSLIB00000850170","spectrum_index":3056},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384694-01_C19H36O11_beta-D-Glucopyranoside, 3-ethyl-4-hydroxy-4-methylpentyl 6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":440.226,"inchikey":"ZHOUHFMRWBOCFO-RPIGWSNLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.214722,"smiles":"CCC(CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O","spectrum_id":"CCMSLIB00000850174","spectrum_index":3057},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386056-01_C20H30O3_(5xi,9xi)-12-Hydroxyabieta-7,13-dien-18-oic acid","exact_mass":318.219,"inchikey":"DYNISIGUMYFVJW-BKXYZSJASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.218201,"smiles":"CC(C)C/1=C/C2=C/CC3[C@](C)(CCC[C@@]3(C)C(O)=O)C2CC1O","spectrum_id":"CCMSLIB00000850178","spectrum_index":3058},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386057-01_C19H28N2O6_1-{5-O-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]pentofuranosyl}-2,4(1H,3H)-pyrimidinedione","exact_mass":380.195,"inchikey":"AXWLJQKHNCEKHK-MDWZMJQESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.204346,"smiles":"CC(C)=CCC/C(C)=C/COCC1OC(C(O)C1O)N2\\C=C/C(=O)NC2=O","spectrum_id":"CCMSLIB00000850181","spectrum_index":3059},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386058-01_C24H35NO4_(1S,2R,3R,6S,7R,8S,11S,14S,15S,18R)-18-Hydroxy-8-isobutyl-5,6,15-trimethyl-19-oxa-9-azapentacyclo[13.3.1.0~2,14~.0~3,11~.0~7,11~]nonadec-4-ene-10,12-dione","exact_mass":401.257,"inchikey":"JFTWBBIGLDALDG-WVQOHNCUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.265961,"smiles":"CC(C)C[C@@H]1NC(=O)[C@@]23[C@H](\\C=C(C)/[C@@H](C)[C@@H]12)[C@@H]4[C@H](CC3=O)[C@]5(C)CC[C@@H](O)[C@H]4O5","spectrum_id":"CCMSLIB00000850182","spectrum_index":3060},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386059-01_C20H28O3_(5xi,9xi)-12-Oxoabieta-7,13-dien-18-oic acid","exact_mass":316.204,"inchikey":"MRGKHDWUXCFJLK-LYBGUNNDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.213196,"smiles":"CC(C)C/1=C/C2=C/CC3[C@](C)(CCC[C@@]3(C)C(O)=O)C2CC1=O","spectrum_id":"CCMSLIB00000850186","spectrum_index":3061},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386060-01_C31H44N4O6_(3S,6R,9S,15aS)-6-Benzyl-9-isobutyl-3-[6-(2-oxiranyl)-6-oxohexyl]octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone","exact_mass":568.326,"inchikey":"DYQZJCUKWTVTLH-ZFMBJHPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":569.335571,"smiles":"CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C(CCCCCC(=O)C3CO3)NC(=O)[C@@H]4CCCCN4C1=O","spectrum_id":"CCMSLIB00000850189","spectrum_index":3062},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386060-01_C31H44N4O6_(3S,6R,9S,15aS)-6-Benzyl-9-isobutyl-3-[6-(2-oxiranyl)-6-oxohexyl]octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone","exact_mass":568.326,"inchikey":"DYQZJCUKWTVTLH-ZFMBJHPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":591.317078,"smiles":"CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C(CCCCCC(=O)C3CO3)NC(=O)[C@@H]4CCCCN4C1=O","spectrum_id":"CCMSLIB00000850192","spectrum_index":3063},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386061-01_C29H37NO5_4bH-1-Benzopyrano[5',6':6,7]indeno[1,2-b]indole-3,4b-diol, 2,3,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, 3-acetate, (2S,3R,4bS,6aS,12bS,12cR,14aS)-","exact_mass":479.267,"inchikey":"IMABPJDBODVJSN-HKZMUHMQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":480.27713,"smiles":"CC(=O)O[C@@H]1\\C=C\\2[C@H](CC[C@@]3(C)[C@@]2(O)CC[C@H]4CC5=C([NH]C6=C5C=CC=C6)[C@]34C)O[C@@H]1C(C)(C)O","spectrum_id":"CCMSLIB00000850195","spectrum_index":3064},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386063-01_C21H28O4_","exact_mass":344.199,"inchikey":"LDVSKUDVSXXLAQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.208374,"smiles":"CC1CC(=O)C/2=C(O1)/OC3(C)CCC4C(C)(C)\\C=C/C(=O)C4(C)C3C2","spectrum_id":"CCMSLIB00000850198","spectrum_index":3065},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386063-01_C21H28O4_","exact_mass":344.199,"inchikey":"LDVSKUDVSXXLAQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.190186,"smiles":"CC1CC(=O)C/2=C(O1)/OC3(C)CCC4C(C)(C)\\C=C/C(=O)C4(C)C3C2","spectrum_id":"CCMSLIB00000850200","spectrum_index":3066},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168813-03_C20H24O8_1H-2-Benzopyran-6-acetic acid, 8a-ethenyloctahydro-5-hydroxy-7-[[2-(hydroxymethyl)-1-oxo-2-propen-1-yl]oxy]-alpha,4-bis(methylene)-3-oxo-, methyl ester, (5R,6S,7S,8aR)-","exact_mass":392.147,"inchikey":"FZALQGCQQJLGKE-ZBUWNZDNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.158295,"smiles":"COC(=O)C(=C)[C@H]1[C@H](O)C2C(=C)C(=O)OC[C@]2(C[C@@H]1OC(=O)C(=C)CO)C=C","spectrum_id":"CCMSLIB00000850203","spectrum_index":3067},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169274-03_C22H26O7_6(2H)-Benzofuranone, 3,3a,4,5-tetrahydro-5,7-dimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-3a-(2-propen-1-yl)-, (2R,3R,3aR,5R)-","exact_mass":402.168,"inchikey":"HUPGTAGQEXENPN-QIUKOVNNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.179077,"smiles":"CO[C@@H]1C[C@]\\2(CC=C)[C@@H](C)[C@@H](OC2=C(\\OC)C1=O)C3=CC(=C4OCOC4=C3)OC","spectrum_id":"CCMSLIB00000850206","spectrum_index":3068},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169274-03_C22H26O7_6(2H)-Benzofuranone, 3,3a,4,5-tetrahydro-5,7-dimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-3a-(2-propen-1-yl)-, (2R,3R,3aR,5R)-","exact_mass":402.168,"inchikey":"HUPGTAGQEXENPN-QIUKOVNNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.167725,"smiles":"CO[C@@H]1C[C@]\\2(CC=C)[C@@H](C)[C@@H](OC2=C(\\OC)C1=O)C3=CC(=C4OCOC4=C3)OC","spectrum_id":"CCMSLIB00000850209","spectrum_index":3069},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169274-03_C22H26O7_6(2H)-Benzofuranone, 3,3a,4,5-tetrahydro-5,7-dimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-3a-(2-propen-1-yl)-, (2R,3R,3aR,5R)-","exact_mass":402.168,"inchikey":"HUPGTAGQEXENPN-QIUKOVNNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.161194,"smiles":"CO[C@@H]1C[C@]\\2(CC=C)[C@@H](C)[C@@H](OC2=C(\\OC)C1=O)C3=CC(=C4OCOC4=C3)OC","spectrum_id":"CCMSLIB00000850213","spectrum_index":3070},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384978-01_C44H68O16_(2S,3R)-3-[(2'R,3S,4b'R,7'S,10a'R)-7'-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]-1-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-2-butanyl acetate","exact_mass":852.451,"inchikey":"ODNHLYCLMUNJRG-BRNLWSAQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":853.459717,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC[C@H]([C@@H](C)[C@H](C[C@H]\\6OC(=O)\\C(=C6)C)OC(C)=O)[C@]57COC(=O)C7)C3(C)C)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000850216","spectrum_index":3071},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384978-01_C44H68O16_(2S,3R)-3-[(2'R,3S,4b'R,7'S,10a'R)-7'-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]-1-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-2-butanyl acetate","exact_mass":852.451,"inchikey":"ODNHLYCLMUNJRG-BRNLWSAQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":875.44104,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC[C@H]([C@@H](C)[C@H](C[C@H]\\6OC(=O)\\C(=C6)C)OC(C)=O)[C@]57COC(=O)C7)C3(C)C)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000850219","spectrum_index":3072},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384979-01_C47H62O27_3-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-beta-D-fructofuranosyl 6-deoxy-4-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-alpha-L-mannopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-alpha-D-glucopyranoside","exact_mass":1058.35,"inchikey":"ABORWESIKJVKBN-NNTCGQASSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1059.353882,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H](CO)[C@H]2OC(=O)\\C=C\\C3=CC=C(O)C=C3)O[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4OC(=O)\\C=C\\C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O[C@@H]6O[C@@H](C)[C@H](O[C@@H]7OC[C@](O)(CO)[C@H]7O)[C@@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000850221","spectrum_index":3073},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384979-01_C47H62O27_3-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-beta-D-fructofuranosyl 6-deoxy-4-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-alpha-L-mannopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-alpha-D-glucopyranoside","exact_mass":1058.35,"inchikey":"ABORWESIKJVKBN-NNTCGQASSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1081.333984,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H](CO)[C@H]2OC(=O)\\C=C\\C3=CC=C(O)C=C3)O[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4OC(=O)\\C=C\\C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O[C@@H]6O[C@@H](C)[C@H](O[C@@H]7OC[C@](O)(CO)[C@H]7O)[C@@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000850225","spectrum_index":3074},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385049-01_C24H32O4_2-Propenoic acid, 3-phenyl-, (1R,2R,3S,4R,6E,10S)-2-hydroxy-6,10-dimethyl-3-(1-methylethyl)-11-oxabicyclo[8.1.0]undec-6-en-4-yl ester, (2E)-","exact_mass":384.23,"inchikey":"JBAYXBWJNDAHDZ-DXAOZSIRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.241089,"smiles":"CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC/C=C(C)/C[C@H]1OC(=O)\\C=C\\C3=CC=CC=C3","spectrum_id":"CCMSLIB00000850228","spectrum_index":3075},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385049-01_C24H32O4_2-Propenoic acid, 3-phenyl-, (1R,2R,3S,4R,6E,10S)-2-hydroxy-6,10-dimethyl-3-(1-methylethyl)-11-oxabicyclo[8.1.0]undec-6-en-4-yl ester, (2E)-","exact_mass":384.23,"inchikey":"JBAYXBWJNDAHDZ-DXAOZSIRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.223083,"smiles":"CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC/C=C(C)/C[C@H]1OC(=O)\\C=C\\C3=CC=CC=C3","spectrum_id":"CCMSLIB00000850231","spectrum_index":3076},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385050-01_C22H28O8_2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6E,9S,10Z,11aR)-9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)-","exact_mass":420.178,"inchikey":"XYPJAWWDSQFSQA-RTZOPMFNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":438.21579,"smiles":"CC(=O)O[C@H]\\1C/C=C(C)/C[C@@H](OC(=O)\\C(CO)=C\\CO)[C@@H]2[C@H](OC(=O)C2=C)\\C=C1C","spectrum_id":"CCMSLIB00000850233","spectrum_index":3077},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169980-03_C22H22O10_beta-D-Glucopyranoside, (6aR,12aR)-6a,12a-dihydro-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-3-yl","exact_mass":446.121,"inchikey":"VGSYCWGXBYZLLE-QEEQPWONSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.127472,"smiles":"OC[C@H]1O[C@@H](OC2=CC3=C(C=C2)[C@@H]4OC5=C(C=C6OCOC6=C5)[C@@H]4CO3)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000850236","spectrum_index":3078},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179701-03_C30H46O4_Lup-20(29)-en-28-oic acid, 6-hydroxy-3-oxo-, (5xi,9xi,18xi)-","exact_mass":470.34,"inchikey":"FIADIPXEFYWJQV-POYRUVRTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.345459,"smiles":"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(=O)C(C)(C)C5C(O)C[C@@]34C)C12)C(O)=O","spectrum_id":"CCMSLIB00000850239","spectrum_index":3079},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179701-03_C30H46O4_Lup-20(29)-en-28-oic acid, 6-hydroxy-3-oxo-, (5xi,9xi,18xi)-","exact_mass":470.34,"inchikey":"FIADIPXEFYWJQV-POYRUVRTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.335907,"smiles":"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(=O)C(C)(C)C5C(O)C[C@@]34C)C12)C(O)=O","spectrum_id":"CCMSLIB00000850243","spectrum_index":3080},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180796-02_C28H38O6_(4beta,5beta,6beta,22R)-4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione","exact_mass":470.267,"inchikey":"DBRXOUCRJQVYJQ-CKNDUULBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.272766,"smiles":"C[C@H]([C@H]1C\\C(=C(CO)/C(=O)O1)C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)\\C=C/C(=O)[C@]6(C)[C@H]4CC[C@]23C","spectrum_id":"CCMSLIB00000850246","spectrum_index":3081},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180796-02_C28H38O6_(4beta,5beta,6beta,22R)-4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione","exact_mass":470.267,"inchikey":"DBRXOUCRJQVYJQ-CKNDUULBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.299561,"smiles":"C[C@H]([C@H]1C\\C(=C(CO)/C(=O)O1)C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)\\C=C/C(=O)[C@]6(C)[C@H]4CC[C@]23C","spectrum_id":"CCMSLIB00000850250","spectrum_index":3082},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180796-02_C28H38O6_(4beta,5beta,6beta,22R)-4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione","exact_mass":470.267,"inchikey":"DBRXOUCRJQVYJQ-CKNDUULBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.254303,"smiles":"C[C@H]([C@H]1C\\C(=C(CO)/C(=O)O1)C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)\\C=C/C(=O)[C@]6(C)[C@H]4CC[C@]23C","spectrum_id":"CCMSLIB00000850252","spectrum_index":3083},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00253541-03_C27H40O2_(2R)-2,8-Dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-6-chromanol","exact_mass":396.303,"inchikey":"ODADKLYLWWCHNB-LDYBVBFYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.290314,"smiles":"CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCC2=CC(=CC(=C2O1)C)O","spectrum_id":"CCMSLIB00000850254","spectrum_index":3084},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385061-01_C36H54O12_Estr-5-ene-3,11-dione, 17-[(1R,3E)-1,5-dihydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2-(beta-D-glucopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl-, (2beta,9beta,10alpha,16alpha,17beta)-","exact_mass":678.362,"inchikey":"GOWXUGYRPHOTEQ-QYNXQQORSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":679.365051,"smiles":"CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C/C=C/4[C@@H](C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000850257","spectrum_index":3085},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385061-01_C36H54O12_Estr-5-ene-3,11-dione, 17-[(1R,3E)-1,5-dihydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2-(beta-D-glucopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl-, (2beta,9beta,10alpha,16alpha,17beta)-","exact_mass":678.362,"inchikey":"GOWXUGYRPHOTEQ-QYNXQQORSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":696.392639,"smiles":"CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C/C=C/4[C@@H](C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000850262","spectrum_index":3086},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385062-01_C38H56O13_(2S,4R,9beta,16alpha,17xi,23E)-2-(beta-D-Glucopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate","exact_mass":720.372,"inchikey":"PQOVWWZVVIGRPP-DPXQNDTBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":721.373413,"smiles":"CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)[C@@H]3C\\C=C4/[C@@H](C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000850263","spectrum_index":3087},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385062-01_C38H56O13_(2S,4R,9beta,16alpha,17xi,23E)-2-(beta-D-Glucopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate","exact_mass":720.372,"inchikey":"PQOVWWZVVIGRPP-DPXQNDTBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":738.400574,"smiles":"CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)[C@@H]3C\\C=C4/[C@@H](C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000850267","spectrum_index":3088},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385062-01_C38H56O13_(2S,4R,9beta,16alpha,17xi,23E)-2-(beta-D-Glucopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate","exact_mass":720.372,"inchikey":"PQOVWWZVVIGRPP-DPXQNDTBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":743.355469,"smiles":"CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)[C@@H]3C\\C=C4/[C@@H](C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000850270","spectrum_index":3089},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169963-02_C15H26O_(3,3,7-Trimethyltricyclo[5.4.0.0~2,9~]undec-8-yl)methanol","exact_mass":222.198,"inchikey":"VZJHQHUOVIDRCF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":205.196335,"smiles":"CC1(C)CCCC2(C)C(CO)C3CCC2C13","spectrum_id":"CCMSLIB00000850272","spectrum_index":3090},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385871-01_C15H22O4_2,8-Dihydroxy-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.0~1,9~.0~3,7~]tridecan-10-one","exact_mass":266.152,"inchikey":"VXHVLJHZFYIFJE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.161255,"smiles":"CC1(C)CC2C(O)C34COC(=O)C3(C4)C(C)(O)C2C1","spectrum_id":"CCMSLIB00000850276","spectrum_index":3091},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385871-01_C15H22O4_2,8-Dihydroxy-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.0~1,9~.0~3,7~]tridecan-10-one","exact_mass":266.152,"inchikey":"VXHVLJHZFYIFJE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.149811,"smiles":"CC1(C)CC2C(O)C34COC(=O)C3(C4)C(C)(O)C2C1","spectrum_id":"CCMSLIB00000850278","spectrum_index":3092},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385871-01_C15H22O4_2,8-Dihydroxy-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.0~1,9~.0~3,7~]tridecan-10-one","exact_mass":266.152,"inchikey":"VXHVLJHZFYIFJE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.143524,"smiles":"CC1(C)CC2C(O)C34COC(=O)C3(C4)C(C)(O)C2C1","spectrum_id":"CCMSLIB00000850282","spectrum_index":3093},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385874-01_C15H18O4_Ethanone, 1-(5,8-dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-","exact_mass":262.121,"inchikey":"KDHNUTVJWLXEHG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.130005,"smiles":"COC1=C2OC(C)(C)\\C=C/C2=C(OC)C(=C1)C(C)=O","spectrum_id":"CCMSLIB00000850293","spectrum_index":3094},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385874-01_C15H18O4_Ethanone, 1-(5,8-dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-","exact_mass":262.121,"inchikey":"KDHNUTVJWLXEHG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.119095,"smiles":"COC1=C2OC(C)(C)\\C=C/C2=C(OC)C(=C1)C(C)=O","spectrum_id":"CCMSLIB00000850297","spectrum_index":3095},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385874-01_C15H18O4_Ethanone, 1-(5,8-dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-","exact_mass":262.121,"inchikey":"KDHNUTVJWLXEHG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.112244,"smiles":"COC1=C2OC(C)(C)\\C=C/C2=C(OC)C(=C1)C(C)=O","spectrum_id":"CCMSLIB00000850300","spectrum_index":3096},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385875-01_C15H22O2_(1R,4Z,9S)-4-(Hydroxymethyl)-11,11-dimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one","exact_mass":234.162,"inchikey":"GVUHIWDAWNDBKR-RLLAQXBXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":217.160202,"smiles":"CC1(C)C[C@H]2[C@H]1CC(=O)\\C(=C/CCC2=C)CO","spectrum_id":"CCMSLIB00000850303","spectrum_index":3097},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385875-01_C15H22O2_(1R,4Z,9S)-4-(Hydroxymethyl)-11,11-dimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one","exact_mass":234.162,"inchikey":"GVUHIWDAWNDBKR-RLLAQXBXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":257.15271,"smiles":"CC1(C)C[C@H]2[C@H]1CC(=O)\\C(=C/CCC2=C)CO","spectrum_id":"CCMSLIB00000850305","spectrum_index":3098},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385876-01_C18H21NO5_Tazettine","exact_mass":331.142,"inchikey":"YLWAQARRNQVEHD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":332.152496,"smiles":"COC\\1CC2N(C)CC3(O)OCC4=CC5=C(OCO5)C=C4C23\\C=C1","spectrum_id":"CCMSLIB00000850309","spectrum_index":3099},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385876-01_C18H21NO5_Tazettine","exact_mass":331.142,"inchikey":"YLWAQARRNQVEHD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.141205,"smiles":"COC\\1CC2N(C)CC3(O)OCC4=CC5=C(OCO5)C=C4C23\\C=C1","spectrum_id":"CCMSLIB00000850312","spectrum_index":3100},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385877-01_C12H20O8_(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl beta-D-glucopyranoside","exact_mass":292.116,"inchikey":"BFCZPWYLRHFBNO-DTJAAUDXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.12558,"smiles":"CC1(C)COC(=O)[C@@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000850315","spectrum_index":3101},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385877-01_C12H20O8_(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl beta-D-glucopyranoside","exact_mass":292.116,"inchikey":"BFCZPWYLRHFBNO-DTJAAUDXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.152191,"smiles":"CC1(C)COC(=O)[C@@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000850317","spectrum_index":3102},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385877-01_C12H20O8_(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl beta-D-glucopyranoside","exact_mass":292.116,"inchikey":"BFCZPWYLRHFBNO-DTJAAUDXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.107574,"smiles":"CC1(C)COC(=O)[C@@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000850321","spectrum_index":3103},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385717-01_C26H40O12_7-Hydroxy-1-({3-O-[(2E)-8-hydroxy-2,6-dimethyl-2-octenoyl]-beta-D-glucopyranosyl}oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":544.252,"inchikey":"CBJQFIAJZLMMPW-CGQFJPMCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.264221,"smiles":"CC(CCO)CC/C=C(C)/C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC2O\\C=C(/C3CCC(C)(O)C23)C(O)=O)[C@@H]1O","spectrum_id":"CCMSLIB00000850323","spectrum_index":3104},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385717-01_C26H40O12_7-Hydroxy-1-({3-O-[(2E)-8-hydroxy-2,6-dimethyl-2-octenoyl]-beta-D-glucopyranosyl}oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":544.252,"inchikey":"CBJQFIAJZLMMPW-CGQFJPMCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":567.246094,"smiles":"CC(CCO)CC/C=C(C)/C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC2O\\C=C(/C3CCC(C)(O)C23)C(O)=O)[C@@H]1O","spectrum_id":"CCMSLIB00000850327","spectrum_index":3105},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385718-01_C29H38O6_(7alpha,9xi,13alpha,17alpha)-17-(5-Methoxy-2-oxo-2,5-dihydro-3-furanyl)-4,4,8-trimethyl-3-oxoandrosta-1,14-dien-7-yl acetate","exact_mass":482.267,"inchikey":"BVJTWZUQDZHHBX-RMDPWNHYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":500.30545,"smiles":"COC/1OC(=O)C(=C1)/[C@@H]2C/C=C/3[C@@]2(C)CCC4[C@@]5(C)\\C=C/C(=O)C(C)(C)C5C[C@@H](OC(C)=O)[C@@]34C","spectrum_id":"CCMSLIB00000850329","spectrum_index":3106},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385720-01_C26H38O12_7-Hydroxy-1-({2-O-[(2E,6E)-8-hydroxy-2,6-dimethyl-2,6-octadienoyl]-beta-D-glucopyranosyl}oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":542.236,"inchikey":"KWJHGUHLTYVPID-SAAFGJJISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.230347,"smiles":"CC(/CC/C=C(C)/C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC2O\\C=C(/C3CCC(C)(O)C23)C(O)=O)=C\\CO","spectrum_id":"CCMSLIB00000850332","spectrum_index":3107},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168865-02_C20H30O4_3-{2-[(1R,4aS,5R,8aS)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-2(5H)-furanone","exact_mass":334.214,"inchikey":"GVRNTWSGBWPJGS-YVKFZJNCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.212585,"smiles":"C[C@@]1(CO)C(O)CC[C@@]2(C)[C@H](CC\\C3=C\\COC3=O)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00000850337","spectrum_index":3108},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384801-01_C47H80O18_(3beta,5xi,6alpha,9xi,12beta)-3,12-Dihydroxy-6-{[2-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}dammar-24-en-20-yl beta-D-glucopyranoside","exact_mass":932.534,"inchikey":"LLPWNQMSUYAGQI-CIESCFGUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":955.51825,"smiles":"CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2CC[C@]3(C)[C@@H]2[C@H](O)CC4[C@@]5(C)CC[C@H](O)C(C)(C)C5[C@H](C[C@@]34C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000850339","spectrum_index":3109},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384804-01_C20H30O11_2-(4-Methoxyphenyl)ethyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside","exact_mass":446.179,"inchikey":"LQUPEGJECBPTCO-KDRUZJHHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":464.213562,"smiles":"COC1=CC=C(CCO[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000850342","spectrum_index":3110},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384804-01_C20H30O11_2-(4-Methoxyphenyl)ethyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside","exact_mass":446.179,"inchikey":"LQUPEGJECBPTCO-KDRUZJHHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.168396,"smiles":"COC1=CC=C(CCO[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000850344","spectrum_index":3111},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384807-01_C20H32O3_","exact_mass":320.235,"inchikey":"CNEAFYADRZPYEP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.233246,"smiles":"CC1(C)CCCC2(C)C3CCC4CC3(CC4(O)CO)C(=O)CC12","spectrum_id":"CCMSLIB00000850348","spectrum_index":3112},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384808-01_C29H42O8_4a,7b-Dihydroxy-3-(hydroxymethyl)-9a-(isobutyryloxy)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl 2-methylbutanoate","exact_mass":518.288,"inchikey":"ILMVSYUTBLQVNQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":501.284454,"smiles":"CCC(C)C(=O)OC1C(C)C2(O)C(\\C=C(CO)/CC3(O)C2\\C=C(C)/C3=O)C4C(C)(C)C14OC(=O)C(C)C","spectrum_id":"CCMSLIB00000850351","spectrum_index":3113},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384811-01_C35H56O9_(1S,3S,9S,12R,14S,17R,19R,21R,22S)-2-Hydroxy-22-(2-hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0~1,18~.0~3,17~.0~4,14~.0~7,12~.0~12,14~]tetracos-9-yl beta-L-xylopyranoside","exact_mass":620.392,"inchikey":"BTPYUWOBZFGKAI-LOUVTHMBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":603.389221,"smiles":"C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)C(O)[C@@]4(C)C5CCC6C(C)(C)[C@H](CC[C@@]67C[C@@]57CC[C@]4(C)C13)O[C@H]8OC[C@H](O)[C@@H](O)[C@@H]8O","spectrum_id":"CCMSLIB00000850354","spectrum_index":3114},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384811-01_C35H56O9_(1S,3S,9S,12R,14S,17R,19R,21R,22S)-2-Hydroxy-22-(2-hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0~1,18~.0~3,17~.0~4,14~.0~7,12~.0~12,14~]tetracos-9-yl beta-L-xylopyranoside","exact_mass":620.392,"inchikey":"BTPYUWOBZFGKAI-LOUVTHMBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":638.426636,"smiles":"C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)C(O)[C@@]4(C)C5CCC6C(C)(C)[C@H](CC[C@@]67C[C@@]57CC[C@]4(C)C13)O[C@H]8OC[C@H](O)[C@@H](O)[C@@H]8O","spectrum_id":"CCMSLIB00000850357","spectrum_index":3115},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384811-01_C35H56O9_(1S,3S,9S,12R,14S,17R,19R,21R,22S)-2-Hydroxy-22-(2-hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0~1,18~.0~3,17~.0~4,14~.0~7,12~.0~12,14~]tetracos-9-yl beta-L-xylopyranoside","exact_mass":620.392,"inchikey":"BTPYUWOBZFGKAI-LOUVTHMBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":643.380737,"smiles":"C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)C(O)[C@@]4(C)C5CCC6C(C)(C)[C@H](CC[C@@]67C[C@@]57CC[C@]4(C)C13)O[C@H]8OC[C@H](O)[C@@H](O)[C@@H]8O","spectrum_id":"CCMSLIB00000850360","spectrum_index":3116},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384811-01_C35H56O9_(1S,3S,9S,12R,14S,17R,19R,21R,22S)-2-Hydroxy-22-(2-hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0~1,18~.0~3,17~.0~4,14~.0~7,12~.0~12,14~]tetracos-9-yl beta-L-xylopyranoside","exact_mass":620.392,"inchikey":"BTPYUWOBZFGKAI-LOUVTHMBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":662.425232,"smiles":"C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)C(O)[C@@]4(C)C5CCC6C(C)(C)[C@H](CC[C@@]67C[C@@]57CC[C@]4(C)C13)O[C@H]8OC[C@H](O)[C@@H](O)[C@@H]8O","spectrum_id":"CCMSLIB00000850363","spectrum_index":3117},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384814-01_C19H34O9_beta-D-Glucopyranoside, 3,6-dihydroxy-3-[(1E)-3-hydroxy-1-buten-1-yl]-2,4,4-trimethylcyclohexyl","exact_mass":406.22,"inchikey":"WMBODJDHWWGSJT-FCMIXPDISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.210297,"smiles":"CC(O)/C=C/C1(O)C(C)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)CC1(C)C","spectrum_id":"CCMSLIB00000850365","spectrum_index":3118},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00091920-03_C17H24O4_2-Propenoic acid, 3-[(1R,4S,7R,7aR)-1-(acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)-","exact_mass":292.167,"inchikey":"VBBXZFLAYWAXSK-HYJCDKNOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.158112,"smiles":"C[C@@H]1CC[C@@H](\\C=C(/C)C(O)=O)C/2=C(\\C)C[C@@H](OC(C)=O)[C@H]12","spectrum_id":"CCMSLIB00000850368","spectrum_index":3119},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169089-04_C19H24O4_Benzaldehyde, 6-[(3E,5E,7S)-5,7-dimethyl-2-oxo-3,5-nonadien-1-yl]-2,4-dihydroxy-3-methyl-","exact_mass":316.167,"inchikey":"SRUILBLGVMJFPG-YDROHTJRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.176331,"smiles":"CC[C@H](C)\\C=C(C)\\C=C\\C(=O)CC1=C(C=O)C(=C(C)C(=C1)O)O","spectrum_id":"CCMSLIB00000850371","spectrum_index":3120},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169089-04_C19H24O4_Benzaldehyde, 6-[(3E,5E,7S)-5,7-dimethyl-2-oxo-3,5-nonadien-1-yl]-2,4-dihydroxy-3-methyl-","exact_mass":316.167,"inchikey":"SRUILBLGVMJFPG-YDROHTJRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.165649,"smiles":"CC[C@H](C)\\C=C(C)\\C=C\\C(=O)CC1=C(C=O)C(=C(C)C(=C1)O)O","spectrum_id":"CCMSLIB00000850374","spectrum_index":3121},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169089-04_C19H24O4_Benzaldehyde, 6-[(3E,5E,7S)-5,7-dimethyl-2-oxo-3,5-nonadien-1-yl]-2,4-dihydroxy-3-methyl-","exact_mass":316.167,"inchikey":"SRUILBLGVMJFPG-YDROHTJRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.157928,"smiles":"CC[C@H](C)\\C=C(C)\\C=C\\C(=O)CC1=C(C=O)C(=C(C)C(=C1)O)O","spectrum_id":"CCMSLIB00000850378","spectrum_index":3122},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384623-01_C34H36O15_(1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane-4,5,7-triyl tri(3-furoate)","exact_mass":684.205,"inchikey":"FILAAKXJIYRSAW-IIQYZKLLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":667.202148,"smiles":"CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(=O)C4=COC=C4)[C@@H]2OC(=O)C5=COC=C5)OC(=O)C6=COC=C6","spectrum_id":"CCMSLIB00000850380","spectrum_index":3123},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384623-01_C34H36O15_(1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane-4,5,7-triyl tri(3-furoate)","exact_mass":684.205,"inchikey":"FILAAKXJIYRSAW-IIQYZKLLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":702.238159,"smiles":"CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(=O)C4=COC=C4)[C@@H]2OC(=O)C5=COC=C5)OC(=O)C6=COC=C6","spectrum_id":"CCMSLIB00000850384","spectrum_index":3124},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384624-01_C55H84O25_4-O-Acetyl-6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-1-O-[(2beta,3beta,5xi,9xi)-3-(beta-D-glucopyranuronosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]-beta-D-galactopyranose","exact_mass":1144.53,"inchikey":"CBIMCRGYNDQVSY-POBJEPLCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1145.529541,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](C)[C@H](OC(C)=O)[C@@H]2O[C@@H]3OC[C@](O)(CO)[C@H]3O)OC(=O)[C@]45CCC(C)(C)C[C@H]4C/6=C/CC7[C@@]8(C)C[C@H](O)[C@H](O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)C(O)=O)[C@](C)(C8CC[C@@]7(C)[C@]6(C)CC5)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000850387","spectrum_index":3125},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384624-01_C55H84O25_4-O-Acetyl-6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-1-O-[(2beta,3beta,5xi,9xi)-3-(beta-D-glucopyranuronosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]-beta-D-galactopyranose","exact_mass":1144.53,"inchikey":"CBIMCRGYNDQVSY-POBJEPLCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1162.55603,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](C)[C@H](OC(C)=O)[C@@H]2O[C@@H]3OC[C@](O)(CO)[C@H]3O)OC(=O)[C@]45CCC(C)(C)C[C@H]4C/6=C/CC7[C@@]8(C)C[C@H](O)[C@H](O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)C(O)=O)[C@](C)(C8CC[C@@]7(C)[C@]6(C)CC5)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000850390","spectrum_index":3126},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384624-01_C55H84O25_4-O-Acetyl-6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-1-O-[(2beta,3beta,5xi,9xi)-3-(beta-D-glucopyranuronosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]-beta-D-galactopyranose","exact_mass":1144.53,"inchikey":"CBIMCRGYNDQVSY-POBJEPLCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1167.510498,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](C)[C@H](OC(C)=O)[C@@H]2O[C@@H]3OC[C@](O)(CO)[C@H]3O)OC(=O)[C@]45CCC(C)(C)C[C@H]4C/6=C/CC7[C@@]8(C)C[C@H](O)[C@H](O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)C(O)=O)[C@](C)(C8CC[C@@]7(C)[C@]6(C)CC5)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000850393","spectrum_index":3127},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384625-01_C16H28O10_2-Methyl-3-buten-2-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":380.168,"inchikey":"BUKBJIBZOCTYLQ-UQTFRHSQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.158752,"smiles":"CC(C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C=C","spectrum_id":"CCMSLIB00000850395","spectrum_index":3128},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384629-01_C19H28O11_Benzyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside","exact_mass":432.163,"inchikey":"LLEMMFPELBNINR-SKYGPZSASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.199127,"smiles":"OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000850399","spectrum_index":3129},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384629-01_C19H28O11_Benzyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside","exact_mass":432.163,"inchikey":"LLEMMFPELBNINR-SKYGPZSASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.153992,"smiles":"OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000850402","spectrum_index":3130},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384630-01_C36H54O14_Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3beta,5beta)-","exact_mass":710.351,"inchikey":"FHIREUBIEIPPMC-RVFDZQFKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":733.339294,"smiles":"COC1CC(OC(C)C1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]3CC[C@]4(C=O)C5CC[C@]6(C)[C@H](CC[C@]6(O)[C@@H]5CC[C@]4(O)C3)\\C7=C\\C(=O)OC7","spectrum_id":"CCMSLIB00000850406","spectrum_index":3131},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180420-03_C23H28O13_(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 4-hydroxy-3-methoxybenzoate","exact_mass":512.153,"inchikey":"AKNILCMFRRDTEY-NUGKWEEESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.143433,"smiles":"COC1=C(O)C=CC(=C1)C(=O)O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25","spectrum_id":"CCMSLIB00000850408","spectrum_index":3132},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347827-02_C20H20O4_6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-2-(3-methyl-2-buten-1-yl)-, (6aR,11aR)-","exact_mass":324.136,"inchikey":"CYXCYFYWIZXENQ-JXFKEZNVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.145386,"smiles":"CC(C)=CCC1=CC2=C(OC[C@@H]3[C@H]2OC4=CC(=CC=C34)O)C=C1O","spectrum_id":"CCMSLIB00000850410","spectrum_index":3133},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384655-01_C31H38O11_7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR,4aS,6R,9S,11S,12S,12aR,12bS)-","exact_mass":586.241,"inchikey":"OVMSOCFBDVBLFW-ZZMVMVDNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":587.249512,"smiles":"CC(=O)O[C@H]1C(=O)[C@]2(C)C(O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C4=CC=CC=C4)[C@]5(O)C[C@H](O)C(=C1C5(C)C)C","spectrum_id":"CCMSLIB00000850413","spectrum_index":3134},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384655-01_C31H38O11_7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR,4aS,6R,9S,11S,12S,12aR,12bS)-","exact_mass":586.241,"inchikey":"OVMSOCFBDVBLFW-ZZMVMVDNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":604.275818,"smiles":"CC(=O)O[C@H]1C(=O)[C@]2(C)C(O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C4=CC=CC=C4)[C@]5(O)C[C@H](O)C(=C1C5(C)C)C","spectrum_id":"CCMSLIB00000850417","spectrum_index":3135},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384655-01_C31H38O11_7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR,4aS,6R,9S,11S,12S,12aR,12bS)-","exact_mass":586.241,"inchikey":"OVMSOCFBDVBLFW-ZZMVMVDNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.230957,"smiles":"CC(=O)O[C@H]1C(=O)[C@]2(C)C(O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C4=CC=CC=C4)[C@]5(O)C[C@H](O)C(=C1C5(C)C)C","spectrum_id":"CCMSLIB00000850419","spectrum_index":3136},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384656-01_C30H44O9_(3beta,5beta,8xi,9xi,17alpha)-3-[(6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide","exact_mass":548.299,"inchikey":"PMTSPAGBAFCORP-WPQKMOKQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":549.30719,"smiles":"CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@H](CCC4C3CC[C@]5(C)[C@@H](CC[C@]45O)/C6=C/C(=O)OC6)C2)[C@H]1O","spectrum_id":"CCMSLIB00000850424","spectrum_index":3137},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384659-01_C15H20N2O_2H-Pyrido[1,2-a]pyrazin-1(6H)-one, hexahydro-3-(phenylmethyl)-, (3S,9aS)-","exact_mass":244.158,"inchikey":"CUANCTHYEDWUMU-KBPBESRZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.166245,"smiles":"O=C1N[C@H](CN2CCCC[C@@H]12)CC3=CC=CC=C3","spectrum_id":"CCMSLIB00000850426","spectrum_index":3138},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384661-01_C18H26O13_Cyclopenta[c]pyran-4,7-dicarboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6-dihydroxy-, dimethyl ester, (1S,4aS,6R,7R,7aS)-","exact_mass":450.137,"inchikey":"BSLDUMMCFUUGHA-GPVKUPEOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.14621,"smiles":"COC(=O)[C@H]1[C@@H](O)C(O)[C@H]\\2[C@@H]1[C@@H](O\\C=C2C(=O)OC)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000850428","spectrum_index":3139},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384661-01_C18H26O13_Cyclopenta[c]pyran-4,7-dicarboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6-dihydroxy-, dimethyl ester, (1S,4aS,6R,7R,7aS)-","exact_mass":450.137,"inchikey":"BSLDUMMCFUUGHA-GPVKUPEOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":473.128143,"smiles":"COC(=O)[C@H]1[C@@H](O)C(O)[C@H]\\2[C@@H]1[C@@H](O\\C=C2C(=O)OC)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000850433","spectrum_index":3140},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384664-01_C17H22O6_11,13-Dihydroxy-8-methoxy-4-methyl-4,5,6,7,8,9-hexahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione","exact_mass":322.142,"inchikey":"LBVPDFGFLMFDPI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.150513,"smiles":"COC1CCCC(C)OC(=O)CC2=CC(=CC(=C2C(=O)C1)O)O","spectrum_id":"CCMSLIB00000850435","spectrum_index":3141},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384664-01_C17H22O6_11,13-Dihydroxy-8-methoxy-4-methyl-4,5,6,7,8,9-hexahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione","exact_mass":322.142,"inchikey":"LBVPDFGFLMFDPI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.132416,"smiles":"COC1CCCC(C)OC(=O)CC2=CC(=CC(=C2C(=O)C1)O)O","spectrum_id":"CCMSLIB00000850438","spectrum_index":3142},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180342-02_C20H19NO5_Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8(6H)-one, 3',4'-dihydro-7'-hydroxy-6'-methoxy-2'-methyl-","exact_mass":353.126,"inchikey":"AHNUBWYOIHCGFN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":354.135162,"smiles":"COC1=C(O)C=C2C(=C1)CCN(C)C23CC4=C(C3=O)C5=C(OCO5)C=C4","spectrum_id":"CCMSLIB00000850441","spectrum_index":3143},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347533-02_C31H40O11_7,11-Methano-2H,4H-oxireno[1,8]cycloocta[1,2-f][2]benzopyran-8-acetic acid, 4-(3-furanyl)dodecahydro-alpha,11-dihydroxy-4a,7,9,9-tetramethyl-10-(2-methyl-1-oxopropoxy)-2,13-dioxo-, methyl ester, (alphaR,4R,4aR,7S,8S,10S,11S,11aR,12aS)-","exact_mass":588.257,"inchikey":"ADDLXGZBTXNVDS-OFNFSOOGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":589.264526,"smiles":"COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)[C@]2(O)[C@H]3O[C@@]34C(CC[C@]5(C)C4CC(=O)O[C@H]5C6=COC=C6)[C@@]1(C)C2=O","spectrum_id":"CCMSLIB00000850444","spectrum_index":3144},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347533-02_C31H40O11_7,11-Methano-2H,4H-oxireno[1,8]cycloocta[1,2-f][2]benzopyran-8-acetic acid, 4-(3-furanyl)dodecahydro-alpha,11-dihydroxy-4a,7,9,9-tetramethyl-10-(2-methyl-1-oxopropoxy)-2,13-dioxo-, methyl ester, (alphaR,4R,4aR,7S,8S,10S,11S,11aR,12aS)-","exact_mass":588.257,"inchikey":"ADDLXGZBTXNVDS-OFNFSOOGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":606.291321,"smiles":"COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)[C@]2(O)[C@H]3O[C@@]34C(CC[C@]5(C)C4CC(=O)O[C@H]5C6=COC=C6)[C@@]1(C)C2=O","spectrum_id":"CCMSLIB00000850448","spectrum_index":3145},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384639-01_C14H16N2O3_Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-[(4-hydroxyphenyl)methyl]-","exact_mass":260.116,"inchikey":"LSGOTAXPWMCUCK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.124664,"smiles":"OC1=CC=C(CC2NC(=O)C3CCCN3C2=O)C=C1","spectrum_id":"CCMSLIB00000850450","spectrum_index":3146},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384640-01_C19H22O6_13,17-Dihydroxy-4-methyl-14-methylene-5-oxo-6-oxapentacyclo[11.2.1.1~4,7~.0~1,10~.0~3,9~]heptadec-8-ene-2-carboxylic acid","exact_mass":346.142,"inchikey":"SLSYEBAZQRZQID-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.139679,"smiles":"CC12C(O)C(OC1=O)\\C=C/3C4CCC5(O)CC4(CC5=C)C(C23)C(O)=O","spectrum_id":"CCMSLIB00000850453","spectrum_index":3147},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384641-01_C22H34O6_(1aR,2S,2aS,5R,5aS,6S,7aS)-2-Acetoxy-5-hydroxy-5-isopropyl-2a,7a-dimethyldecahydroazuleno[5,6-b]oxiren-6-yl (2Z)-2-methyl-2-butenoate","exact_mass":394.236,"inchikey":"WVPPLOSRTXOZAP-DFXOCPFWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.233704,"smiles":"C\\C=C(C)/C(=O)O[C@H]1C[C@]2(C)O[C@@H]2[C@@H](OC(C)=O)[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]13","spectrum_id":"CCMSLIB00000850456","spectrum_index":3148},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384641-01_C22H34O6_(1aR,2S,2aS,5R,5aS,6S,7aS)-2-Acetoxy-5-hydroxy-5-isopropyl-2a,7a-dimethyldecahydroazuleno[5,6-b]oxiren-6-yl (2Z)-2-methyl-2-butenoate","exact_mass":394.236,"inchikey":"WVPPLOSRTXOZAP-DFXOCPFWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.225922,"smiles":"C\\C=C(C)/C(=O)O[C@H]1C[C@]2(C)O[C@@H]2[C@@H](OC(C)=O)[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]13","spectrum_id":"CCMSLIB00000850459","spectrum_index":3149},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384643-01_C20H32O2_(2E)-3-Methyl-5-[(1S,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-2-pentenoic acid","exact_mass":304.24,"inchikey":"JFQBNOIJWROZGE-YSNLAMCCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.248901,"smiles":"CC(/CC[C@H]1C(=C)CCC2C(C)(C)CCC[C@]12C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000850461","spectrum_index":3150},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384643-01_C20H32O2_(2E)-3-Methyl-5-[(1S,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-2-pentenoic acid","exact_mass":304.24,"inchikey":"JFQBNOIJWROZGE-YSNLAMCCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.238434,"smiles":"CC(/CC[C@H]1C(=C)CCC2C(C)(C)CCC[C@]12C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000850464","spectrum_index":3151},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384643-01_C20H32O2_(2E)-3-Methyl-5-[(1S,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-2-pentenoic acid","exact_mass":304.24,"inchikey":"JFQBNOIJWROZGE-YSNLAMCCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.231079,"smiles":"CC(/CC[C@H]1C(=C)CCC2C(C)(C)CCC[C@]12C)=C\\C(O)=O","spectrum_id":"CCMSLIB00000850467","spectrum_index":3152},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384645-01_C13H18O7_3-Hydroxy-5-methylphenyl beta-D-glucopyranoside","exact_mass":286.105,"inchikey":"YTXIGTCAQNODGD-UJPOAAIJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.113037,"smiles":"CC1=CC(=CC(=C1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O","spectrum_id":"CCMSLIB00000850471","spectrum_index":3153},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384645-01_C13H18O7_3-Hydroxy-5-methylphenyl beta-D-glucopyranoside","exact_mass":286.105,"inchikey":"YTXIGTCAQNODGD-UJPOAAIJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.0961,"smiles":"CC1=CC(=CC(=C1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O","spectrum_id":"CCMSLIB00000850475","spectrum_index":3154},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384653-01_C15H22O3_2-[(1S,2S,4aR,8aS)-1-Hydroxy-4a-methyl-8-methylenedecahydro-2-naphthalenyl]acrylic acid","exact_mass":250.157,"inchikey":"QTSQCCVLTMKKDP-SFDCQRBFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.165314,"smiles":"C[C@]12CCCC(=C)[C@@H]1[C@@H](O)[C@@H](CC2)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000850477","spectrum_index":3155},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384653-01_C15H22O3_2-[(1S,2S,4aR,8aS)-1-Hydroxy-4a-methyl-8-methylenedecahydro-2-naphthalenyl]acrylic acid","exact_mass":250.157,"inchikey":"QTSQCCVLTMKKDP-SFDCQRBFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.154572,"smiles":"C[C@]12CCCC(=C)[C@@H]1[C@@H](O)[C@@H](CC2)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000850480","spectrum_index":3156},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380717-01_C27H36O7_2-Butenoic acid, 2-methyl-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (2E)-","exact_mass":472.246,"inchikey":"KFNWMXLJLRPJCL-MDWZMJQESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":473.254639,"smiles":"C/C=C(C)/C(=O)OC1C(C)C2(O)C3\\C=C(C)/C(=O)C3C\\C(=C/C2C4C(C)(C)C14OC(C)=O)CO","spectrum_id":"CCMSLIB00000850482","spectrum_index":3157},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380717-01_C27H36O7_2-Butenoic acid, 2-methyl-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (2E)-","exact_mass":472.246,"inchikey":"KFNWMXLJLRPJCL-MDWZMJQESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":490.281189,"smiles":"C/C=C(C)/C(=O)OC1C(C)C2(O)C3\\C=C(C)/C(=O)C3C\\C(=C/C2C4C(C)(C)C14OC(C)=O)CO","spectrum_id":"CCMSLIB00000850486","spectrum_index":3158},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380718-01_C29H40O8_2-Butenoic acid, 2-methyl-, 1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9a-(2-methyl-1-oxopropoxy)-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (2E)-","exact_mass":516.272,"inchikey":"MVWXLRYZCZSBKW-OQLLNIDSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.279968,"smiles":"C/C=C(C)/C(=O)OC1C(C)C2(O)C(\\C=C(CO)/CC3(O)C2\\C=C(C)/C3=O)C4C(C)(C)C14OC(=O)C(C)C","spectrum_id":"CCMSLIB00000850489","spectrum_index":3159},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380718-01_C29H40O8_2-Butenoic acid, 2-methyl-, 1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9a-(2-methyl-1-oxopropoxy)-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (2E)-","exact_mass":516.272,"inchikey":"MVWXLRYZCZSBKW-OQLLNIDSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.270142,"smiles":"C/C=C(C)/C(=O)OC1C(C)C2(O)C(\\C=C(CO)/CC3(O)C2\\C=C(C)/C3=O)C4C(C)(C)C14OC(=O)C(C)C","spectrum_id":"CCMSLIB00000850492","spectrum_index":3160},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380719-01_C20H28O3_7-Hydroxyabieta-8,11,13-trien-18-oic acid","exact_mass":316.204,"inchikey":"GPFVBJYXFRIOFB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.210052,"smiles":"CC(C)C1=CC2=C(C=C1)C3(C)CCCC(C)(C3CC2O)C(O)=O","spectrum_id":"CCMSLIB00000850495","spectrum_index":3161},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380719-01_C20H28O3_7-Hydroxyabieta-8,11,13-trien-18-oic acid","exact_mass":316.204,"inchikey":"GPFVBJYXFRIOFB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.201721,"smiles":"CC(C)C1=CC2=C(C=C1)C3(C)CCCC(C)(C3CC2O)C(O)=O","spectrum_id":"CCMSLIB00000850498","spectrum_index":3162},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380724-01_C28H47NO8_(3R,5R,6S,7S,9R,11E,13S,14R)-14-Ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-D-xylo-hexopyranoside","exact_mass":525.33,"inchikey":"UZQBOFAUUTZOQE-SOSMEOBRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":526.339172,"smiles":"CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\\C=C\\[C@]1(C)O","spectrum_id":"CCMSLIB00000850503","spectrum_index":3163},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380724-01_C28H47NO8_(3R,5R,6S,7S,9R,11E,13S,14R)-14-Ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-D-xylo-hexopyranoside","exact_mass":525.33,"inchikey":"UZQBOFAUUTZOQE-SOSMEOBRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":508.32785,"smiles":"CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\\C=C\\[C@]1(C)O","spectrum_id":"CCMSLIB00000850506","spectrum_index":3164},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380725-01_C20H22O6_Cyclopropa[d]phenanthrene-3-carboxylic acid, 7-ethenyl-1,2,3,5,7,8,9,9a,10,10a-decahydro-4,9a-dihydroxy-3,7-dimethyl-5,9-dioxo-, (3R,7S,9aR,9bR,10aR)-","exact_mass":358.142,"inchikey":"XKJPVKHJPNQLKG-KPHJKFSFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.149994,"smiles":"C[C@]/1(CC(=O)[C@]2(O)C(=C1)/C(=O)/C(=C3/[C@@](C)(CC[C@@H]4C[C@]234)C(O)=O)O)C=C","spectrum_id":"CCMSLIB00000850511","spectrum_index":3165},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380726-01_C25H33NO6_(2'R,6'S,8a'S)-4,7'-Dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3,3',4',4a',5',6,6',7,7',8,8',8a'-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6'-yl acetate","exact_mass":443.231,"inchikey":"JOLITHWHEFIGDT-AXUMRIGYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.239532,"smiles":"C[C@@H]1CCC2C(C)(C)[C@H](OC(C)=O)C(O)C[C@]2(C)C13CC4=C(O3)C5=C(C=C4O)C(=O)NC5","spectrum_id":"CCMSLIB00000850513","spectrum_index":3166},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380726-01_C25H33NO6_(2'R,6'S,8a'S)-4,7'-Dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3,3',4',4a',5',6,6',7,7',8,8',8a'-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6'-yl acetate","exact_mass":443.231,"inchikey":"JOLITHWHEFIGDT-AXUMRIGYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":466.220856,"smiles":"C[C@@H]1CCC2C(C)(C)[C@H](OC(C)=O)C(O)C[C@]2(C)C13CC4=C(O3)C5=C(C=C4O)C(=O)NC5","spectrum_id":"CCMSLIB00000850515","spectrum_index":3167},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380727-01_C23H32O6_(4R,4aS,8aS)-1-Hydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-4-[(2E,4E,6E)-2,4,6-octatrienoyloxy]-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid","exact_mass":404.22,"inchikey":"WQJXWXRSOBXAGZ-ZGUWDZGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.228607,"smiles":"C/C=C/C=C/C=C/C(=O)O[C@@H]1\\C=C(CO)/C(O)(C(O)=O)[C@@]2(C)CCCC(C)(C)[C@H]12","spectrum_id":"CCMSLIB00000850519","spectrum_index":3168},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380727-01_C23H32O6_(4R,4aS,8aS)-1-Hydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-4-[(2E,4E,6E)-2,4,6-octatrienoyloxy]-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid","exact_mass":404.22,"inchikey":"WQJXWXRSOBXAGZ-ZGUWDZGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.218201,"smiles":"C/C=C/C=C/C=C/C(=O)O[C@@H]1\\C=C(CO)/C(O)(C(O)=O)[C@@]2(C)CCCC(C)(C)[C@H]12","spectrum_id":"CCMSLIB00000850522","spectrum_index":3169},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180417-03_C31H40O16_(1aS,1bS,2S,5aR,6S,6aS)-6-({6-Deoxy-4-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":668.232,"inchikey":"RTCISXKUWWQSRF-FKGKEHBJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":669.239136,"smiles":"COC1=CC=C(\\C=C\\C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@@H]4\\C=C/O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4[C@@]6(CO)O[C@@H]36)[C@H](O)[C@@H]2O)C=C1","spectrum_id":"CCMSLIB00000850524","spectrum_index":3170},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180417-03_C31H40O16_(1aS,1bS,2S,5aR,6S,6aS)-6-({6-Deoxy-4-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":668.232,"inchikey":"RTCISXKUWWQSRF-FKGKEHBJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":691.221252,"smiles":"COC1=CC=C(\\C=C\\C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@@H]4\\C=C/O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4[C@@]6(CO)O[C@@H]36)[C@H](O)[C@@H]2O)C=C1","spectrum_id":"CCMSLIB00000850527","spectrum_index":3171},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380546-01_C35H54O14_","exact_mass":698.351,"inchikey":"ITXARCZXQRQZRW-KNTRCKAVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":721.339905,"smiles":"CC12CCC(CC1CCC3C2CCC4(C)\\C(CCC34O)=C5\\COC(=O)C5)OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O","spectrum_id":"CCMSLIB00000850531","spectrum_index":3172},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380549-01_C36H43NO17_Evonine","exact_mass":761.253,"inchikey":"IMIAGCONYJPMDY-DYYRVMIMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":762.259216,"smiles":"C[C@H]1[C@H](C)C2=C(C=CC=N2)C(=O)OC[C@]3(C)O[C@]45[C@H](OC(C)=O)[C@H]3C(=O)[C@@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC1=O)[C@]5(C)O","spectrum_id":"CCMSLIB00000850533","spectrum_index":3173},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380549-01_C36H43NO17_Evonine","exact_mass":761.253,"inchikey":"IMIAGCONYJPMDY-DYYRVMIMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":784.240295,"smiles":"C[C@H]1[C@H](C)C2=C(C=CC=N2)C(=O)OC[C@]3(C)O[C@]45[C@H](OC(C)=O)[C@H]3C(=O)[C@@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC1=O)[C@]5(C)O","spectrum_id":"CCMSLIB00000850537","spectrum_index":3174},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380550-01_C24H40O5_4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid","exact_mass":408.288,"inchikey":"PEFFBGFCZXFQSX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.285156,"smiles":"CC(CCOC(=O)CCC(O)=O)CCC1C(=C)CCC2C(C)(C)C(O)CCC12C","spectrum_id":"CCMSLIB00000850540","spectrum_index":3175},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380550-01_C24H40O5_4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid","exact_mass":408.288,"inchikey":"PEFFBGFCZXFQSX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":426.322327,"smiles":"CC(CCOC(=O)CCC(O)=O)CCC1C(=C)CCC2C(C)(C)C(O)CCC12C","spectrum_id":"CCMSLIB00000850543","spectrum_index":3176},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380552-01_C22H36O3_2(1H)-Naphthalenone, 8-[5-(acetyloxy)-3-methylpentyl]octahydro-4,4,8a-trimethyl-7-methylene-","exact_mass":348.266,"inchikey":"LZGVQJDYLAUCGI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.274658,"smiles":"CC(CCOC(C)=O)CCC1C(=C)CCC2C(C)(C)CC(=O)CC12C","spectrum_id":"CCMSLIB00000850546","spectrum_index":3177},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380552-01_C22H36O3_2(1H)-Naphthalenone, 8-[5-(acetyloxy)-3-methylpentyl]octahydro-4,4,8a-trimethyl-7-methylene-","exact_mass":348.266,"inchikey":"LZGVQJDYLAUCGI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.301056,"smiles":"CC(CCOC(C)=O)CCC1C(=C)CCC2C(C)(C)CC(=O)CC12C","spectrum_id":"CCMSLIB00000850549","spectrum_index":3178},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380552-01_C22H36O3_2(1H)-Naphthalenone, 8-[5-(acetyloxy)-3-methylpentyl]octahydro-4,4,8a-trimethyl-7-methylene-","exact_mass":348.266,"inchikey":"LZGVQJDYLAUCGI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.256622,"smiles":"CC(CCOC(C)=O)CCC1C(=C)CCC2C(C)(C)CC(=O)CC12C","spectrum_id":"CCMSLIB00000850551","spectrum_index":3179},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380554-01_C22H38O10_2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":462.246,"inchikey":"JIDXOGPQCVBGSC-BXUICYMCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.236389,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(C)(C)C3CC\\C(=C/C3)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000850554","spectrum_index":3180},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380557-01_C53H84O22_1-O-[(3beta,5xi,9xi)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->3)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":1072.55,"inchikey":"GERYLLMWVVIZJZ-BNBPNVOJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1095.531372,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7[C@@H]8CC(C)(C)CC[C@@]8(CC[C@@]67C)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C4(C)C)C(O)=O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000850557","spectrum_index":3181},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380558-01_C19H24O7_2-Propenoic acid, 2-methyl-, (3aR,4S,6R,11aR)-2,3,3a,4,5,6,7,8,9,11a-decahydro-6,9-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester","exact_mass":364.152,"inchikey":"JGWDBQRLOBLTHU-RELBSBPCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":382.187347,"smiles":"CC(=C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)CC(O)C(=C[C@H]2OC(=O)C(=C)[C@H]12)C","spectrum_id":"CCMSLIB00000850561","spectrum_index":3182},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380558-01_C19H24O7_2-Propenoic acid, 2-methyl-, (3aR,4S,6R,11aR)-2,3,3a,4,5,6,7,8,9,11a-decahydro-6,9-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester","exact_mass":364.152,"inchikey":"JGWDBQRLOBLTHU-RELBSBPCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.142578,"smiles":"CC(=C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)CC(O)C(=C[C@H]2OC(=O)C(=C)[C@H]12)C","spectrum_id":"CCMSLIB00000850565","spectrum_index":3183},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380175-01_C16H24O6_beta-D-Glucopyranoside, 5-methyl-2-(1-methylethyl)phenyl","exact_mass":312.157,"inchikey":"GKQGIQVSMCHAFX-IBEHDNSVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.191467,"smiles":"CC(C)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C(C)C=C1","spectrum_id":"CCMSLIB00000850566","spectrum_index":3184},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380176-01_C25H32O8_5a-Hydroxy-9-(hydroxymethyl)-13-methoxy-5,5,7a,14b-tetramethyl-1,2,5a,6,7,7a,10,14,14a,14b-decahydro-5H-furo[3,4-i]oxepino[4,3-a]xanthene-3,12-dione","exact_mass":460.21,"inchikey":"PNZRSLXZPKJLEN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.216919,"smiles":"COC1=C2CC3C(C)(CCC4(O)C(C)(C)OC(=O)CCC34C)OC2=C(CO)C5=C1C(=O)OC5","spectrum_id":"CCMSLIB00000850569","spectrum_index":3185},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380176-01_C25H32O8_5a-Hydroxy-9-(hydroxymethyl)-13-methoxy-5,5,7a,14b-tetramethyl-1,2,5a,6,7,7a,10,14,14a,14b-decahydro-5H-furo[3,4-i]oxepino[4,3-a]xanthene-3,12-dione","exact_mass":460.21,"inchikey":"PNZRSLXZPKJLEN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.206451,"smiles":"COC1=C2CC3C(C)(CCC4(O)C(C)(C)OC(=O)CCC34C)OC2=C(CO)C5=C1C(=O)OC5","spectrum_id":"CCMSLIB00000850574","spectrum_index":3186},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380179-01_C30H46O4_(23E)-5,25-Dihydroxy-4,4-dimethylergosta-8,23-diene-3,22-dione","exact_mass":470.34,"inchikey":"MRQHSVZGPFMNOJ-ISLYRVAYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.347137,"smiles":"CC(C1CCC2C/3=C(CCC12C)/C4(C)CCC(=O)C(C)(C)C4(O)CC3)C(=O)\\C=C(C)\\C(C)(C)O","spectrum_id":"CCMSLIB00000850576","spectrum_index":3187},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380179-01_C30H46O4_(23E)-5,25-Dihydroxy-4,4-dimethylergosta-8,23-diene-3,22-dione","exact_mass":470.34,"inchikey":"MRQHSVZGPFMNOJ-ISLYRVAYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.336395,"smiles":"CC(C1CCC2C/3=C(CCC12C)/C4(C)CCC(=O)C(C)(C)C4(O)CC3)C(=O)\\C=C(C)\\C(C)(C)O","spectrum_id":"CCMSLIB00000850579","spectrum_index":3188},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380181-01_C41H66O15_1-O-[(2beta,3beta,5xi,9xi,18xi)-2,23,29-Trihydroxy-28-oxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":798.44,"inchikey":"GYIBVEJSJXXUKV-ZEMGKMIXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":799.445129,"smiles":"CC1(CO)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000850581","spectrum_index":3189},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380181-01_C41H66O15_1-O-[(2beta,3beta,5xi,9xi,18xi)-2,23,29-Trihydroxy-28-oxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":798.44,"inchikey":"GYIBVEJSJXXUKV-ZEMGKMIXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":821.426575,"smiles":"CC1(CO)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000850584","spectrum_index":3190},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380187-01_C26H32O13_beta-D-Glucopyranoside, 2-methoxy-4-[tetrahydro-3a,6a-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl","exact_mass":552.184,"inchikey":"IBQVOWQTGYYRJP-CPNFYLCOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":570.21814,"smiles":"COC1=C(O)C=CC(=C1)C2OCC3(O)C(OCC23O)C4=CC(=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4)OC","spectrum_id":"CCMSLIB00000850587","spectrum_index":3191},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380187-01_C26H32O13_beta-D-Glucopyranoside, 2-methoxy-4-[tetrahydro-3a,6a-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl","exact_mass":552.184,"inchikey":"IBQVOWQTGYYRJP-CPNFYLCOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":575.173645,"smiles":"COC1=C(O)C=CC(=C1)C2OCC3(O)C(OCC23O)C4=CC(=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4)OC","spectrum_id":"CCMSLIB00000850591","spectrum_index":3192},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380188-01_C24H37NO4_(7E)-11-Hydroxy-3-isobutyl-12-methoxy-4,5,8-trimethyl-2,3,3a,4,6a,9,10,11,12,13-decahydrocyclodeca[d]isoindole-1,14-dione","exact_mass":403.272,"inchikey":"MQVLYVXFAYNRER-GXDHUFHOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":386.269409,"smiles":"COC1CC(=O)C23C(/C=C(\\C)CCC1O)\\C=C(C)/C(C)C2C(CC(C)C)NC3=O","spectrum_id":"CCMSLIB00000850593","spectrum_index":3193},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380203-01_C26H30ClNO8_2-{7-Acetoxy-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-2(6H)-isoquinolinyl}pentanedioic acid","exact_mass":519.166,"inchikey":"BVIXPBFQDINHQZ-XHBXSBNISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":520.172791,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=C\\C/2=C(Cl)/C(=O)C(C)(OC(C)=O)C(=O)C2=C\\N1C(CCC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000850596","spectrum_index":3194},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00094872-09_C17H19NO3_(2E,4E)-5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4-pentadien-1-one","exact_mass":285.137,"inchikey":"MXXWOMGUGJBKIW-YPCIICBESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.144257,"smiles":"O=C(\\C=C\\C=C\\C1=CC=C2OCOC2=C1)N3CCCCC3","spectrum_id":"CCMSLIB00000850601","spectrum_index":3195},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00094872-09_C17H19NO3_(2E,4E)-5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4-pentadien-1-one","exact_mass":285.137,"inchikey":"MXXWOMGUGJBKIW-YPCIICBESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.125885,"smiles":"O=C(\\C=C\\C=C\\C1=CC=C2OCOC2=C1)N3CCCCC3","spectrum_id":"CCMSLIB00000850604","spectrum_index":3196},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00094872-09_C17H19NO3_(2E,4E)-5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4-pentadien-1-one","exact_mass":285.137,"inchikey":"MXXWOMGUGJBKIW-YPCIICBESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.170349,"smiles":"O=C(\\C=C\\C=C\\C1=CC=C2OCOC2=C1)N3CCCCC3","spectrum_id":"CCMSLIB00000850605","spectrum_index":3197},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384993-01_C28H34O14_Methyl (1S,4aS,7aS)-1-({6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}oxy)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":594.195,"inchikey":"YOFHAHMLGOFXAB-OBCDOPQVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.200134,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](COC(=O)\\C=C\\C3=CC(=C(O)C(=C3)OC)OC)[C@@H](O)[C@H](O)[C@H]2O)[C@H]\\4[C@@H]1C\\C=C4CO","spectrum_id":"CCMSLIB00000850610","spectrum_index":3198},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384995-01_C21H24N2O3_(1S,8R,16S,17R)-11,12-Dimethoxy-5,15-diazahexacyclo[13.4.2.0~1,16~.0~5,16~.0~8,17~.0~9,14~]henicosa-2,9,11,13-tetraen-21-one","exact_mass":352.179,"inchikey":"BOPPUHZKIKFBHH-GEOUXAIOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.186005,"smiles":"COC1=C(OC)C=C2N3C(=O)C[C@@]\\45CC[C@@H]6[C@@H](CCN(C\\C=C4)[C@@]356)C2=C1","spectrum_id":"CCMSLIB00000850612","spectrum_index":3199},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384998-01_C21H32O12_Butanoic acid, 3-methyl-, (1aS,1bS,5S,5aS,6S,6aS)-2-[(beta-D-glucopyranosyloxy)methyl]-1a,1b,5,5a,6,6a-hexahydro-6-hydroxy-6-(hydroxymethyl)oxireno[3,4]cyclopenta[1,2-c]pyran-5-yl ester","exact_mass":476.189,"inchikey":"CHSDMOZSQFIUGK-PTOWJVERSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.177673,"smiles":"CC(C)CC(=O)O[C@@H]1O\\C=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/[C@H]3[C@@H]4O[C@H]4[C@@](O)(CO)[C@@H]13","spectrum_id":"CCMSLIB00000850615","spectrum_index":3200},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384999-01_C24H24O10_2-({6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}oxy)-3-phenylacrylic acid","exact_mass":472.137,"inchikey":"OFPMGMVAOWDSRN-VNEUDPKJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":490.169464,"smiles":"O[C@H]1[C@H](O)[C@@H](COC(=O)\\C=C\\C2=CC=C(O)C=C2)O[C@@H](OC(=CC3=CC=CC=C3)C(O)=O)[C@@H]1O","spectrum_id":"CCMSLIB00000850619","spectrum_index":3201},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384999-01_C24H24O10_2-({6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}oxy)-3-phenylacrylic acid","exact_mass":472.137,"inchikey":"OFPMGMVAOWDSRN-VNEUDPKJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":495.124786,"smiles":"O[C@H]1[C@H](O)[C@@H](COC(=O)\\C=C\\C2=CC=C(O)C=C2)O[C@@H](OC(=CC3=CC=CC=C3)C(O)=O)[C@@H]1O","spectrum_id":"CCMSLIB00000850622","spectrum_index":3202},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385000-01_C15H18O8_beta-D-Glucopyranose, 1-O-[(2E)-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl]-","exact_mass":326.1,"inchikey":"KDNJTHIKZATBIB-HKIVJWRYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.096649,"smiles":"OC[C@H]1O[C@@H](OC(=O)/C=C/C2=C(O)C=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000850623","spectrum_index":3203},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385002-01_C22H32O7_Butanoic acid, 3-methyl-, (3alpha,8alpha,12xi)-15-(acetyloxy)-12,13-epoxy-3-hydroxytrichothec-9-en-8-yl ester","exact_mass":408.215,"inchikey":"QIEPESYLHXEYLK-WTKUDMQKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.221497,"smiles":"CC(C)CC(=O)O[C@H]\\1C[C@@]2(COC(C)=O)[C@H](O[C@@H]3[C@H](O)C[C@@]2(C)[C@]34CO4)\\C=C1C","spectrum_id":"CCMSLIB00000850626","spectrum_index":3204},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347853-02_C22H32O4_12-Acetoxypimara-7,15-dien-18-oic acid","exact_mass":360.23,"inchikey":"TUKYTUMQZQFKNX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.261139,"smiles":"CC(=O)OC1CC2\\C(=C/CC3C2(C)CCCC3(C)C(O)=O)CC1(C)C=C","spectrum_id":"CCMSLIB00000850631","spectrum_index":3205},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347853-02_C22H32O4_12-Acetoxypimara-7,15-dien-18-oic acid","exact_mass":360.23,"inchikey":"TUKYTUMQZQFKNX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.216492,"smiles":"CC(=O)OC1CC2\\C(=C/CC3C2(C)CCCC3(C)C(O)=O)CC1(C)C=C","spectrum_id":"CCMSLIB00000850633","spectrum_index":3206},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380992-01_C21H34O7_2(1H)-Naphthalenone, 6-(hexopyranosyloxy)-3,4,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-","exact_mass":398.23,"inchikey":"FKHKXGQDMKLQLK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.235107,"smiles":"CC(C)C1C2\\C=C(C)/C(CC2C(C)CC1=O)OC3OC(CO)C(O)C(O)C3O","spectrum_id":"CCMSLIB00000850635","spectrum_index":3207},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380993-01_C23H28O12_Cyclopenta[c]pyran-4-carboxylic acid, 6-(benzoyloxy)-1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-","exact_mass":496.158,"inchikey":"VHNBSWKVDGABEV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":497.161804,"smiles":"CC1C(OC(=O)C2=CC=CC=C2)C(O)C\\3C1C(O\\C=C3C(O)=O)OC4OC(CO)C(O)C(O)C4O","spectrum_id":"CCMSLIB00000850638","spectrum_index":3208},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380993-01_C23H28O12_Cyclopenta[c]pyran-4-carboxylic acid, 6-(benzoyloxy)-1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-","exact_mass":496.158,"inchikey":"VHNBSWKVDGABEV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.15152,"smiles":"CC1C(OC(=O)C2=CC=CC=C2)C(O)C\\3C1C(O\\C=C3C(O)=O)OC4OC(CO)C(O)C(O)C4O","spectrum_id":"CCMSLIB00000850641","spectrum_index":3209},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380993-01_C23H28O12_Cyclopenta[c]pyran-4-carboxylic acid, 6-(benzoyloxy)-1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-","exact_mass":496.158,"inchikey":"VHNBSWKVDGABEV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.143494,"smiles":"CC1C(OC(=O)C2=CC=CC=C2)C(O)C\\3C1C(O\\C=C3C(O)=O)OC4OC(CO)C(O)C(O)C4O","spectrum_id":"CCMSLIB00000850644","spectrum_index":3210},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380994-01_C21H30O12_4-Acetyl-2-methoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":474.174,"inchikey":"ZUXLIBRTWRBKLQ-NUASCYGXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.177582,"smiles":"COC1=CC(=CC=C1O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C(C)=O","spectrum_id":"CCMSLIB00000850648","spectrum_index":3211},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380995-01_C15H20O3_(2E)-6-Hydroxy-2-methyl-6-(4-methylphenyl)-2-heptenoic acid","exact_mass":248.141,"inchikey":"JPYPXCYONUJEGT-LFYBBSHMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.136032,"smiles":"CC1=CC=C(C=C1)C(C)(O)CC\\C=C(/C)C(O)=O","spectrum_id":"CCMSLIB00000850653","spectrum_index":3212},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380997-01_C27H39NO3_(3beta,9xi,22S,23R)-3-Hydroxy-17,23-epoxyveratraman-11-one","exact_mass":425.293,"inchikey":"CLEXYFLHGFJONT-GDMKTYFQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":426.298065,"smiles":"C[C@@H]1CN[C@H]2[C@@H](C)[C@@]/3(CC[C@H]4[C@@H]5C/C=C6/C[C@@H](O)CC[C@]6(C)C5C(=O)\\C4=C3C)O[C@@H]2C1","spectrum_id":"CCMSLIB00000850657","spectrum_index":3213},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380999-01_C23H32O7_1-Phenanthrenecarboxylic acid, 10-(acetyloxy)-1,2,3,4,4a,9,10,10a-octahydro-4,5,9-trihydroxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester","exact_mass":420.215,"inchikey":"WBEFPLHFVLPKHQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.208954,"smiles":"COC(=O)C1(C)CCC(O)C2(C)C1C(OC(C)=O)C(O)C3=C2C(=CC(=C3)C(C)C)O","spectrum_id":"CCMSLIB00000850659","spectrum_index":3214},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380999-01_C23H32O7_1-Phenanthrenecarboxylic acid, 10-(acetyloxy)-1,2,3,4,4a,9,10,10a-octahydro-4,5,9-trihydroxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester","exact_mass":420.215,"inchikey":"WBEFPLHFVLPKHQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":438.245819,"smiles":"COC(=O)C1(C)CCC(O)C2(C)C1C(OC(C)=O)C(O)C3=C2C(=CC(=C3)C(C)C)O","spectrum_id":"CCMSLIB00000850664","spectrum_index":3215},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381000-01_C30H46O16_","exact_mass":662.279,"inchikey":"BZNOZGOVIXEHMX-AKIRHTOOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":680.306885,"smiles":"C/C=C(C)/C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@@H]1O[C@]2(COC(=O)CC(C)C)O[C@H](COC(=O)C(C)C)[C@@H](OC(C)=O)[C@@H]2O","spectrum_id":"CCMSLIB00000850665","spectrum_index":3216},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169307-02_C27H31NO5_8H-Pyrano[2,3-f]quinolin-8-one, 2,7,9,10-tetrahydro-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2-methyl-2-(4-methyl-3-penten-1-yl)-, (2S,9R,10R)-","exact_mass":449.22,"inchikey":"CPWPNTRWIIAFEG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.225739,"smiles":"COC1C(=O)NC2=C(C3=C(C=C2)\\C=C/C(C)(CCC=C(C)C)O3)C1(O)C4=CC=C(OC)C=C4","spectrum_id":"CCMSLIB00000850669","spectrum_index":3217},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169307-02_C27H31NO5_8H-Pyrano[2,3-f]quinolin-8-one, 2,7,9,10-tetrahydro-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2-methyl-2-(4-methyl-3-penten-1-yl)-, (2S,9R,10R)-","exact_mass":449.22,"inchikey":"CPWPNTRWIIAFEG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.215576,"smiles":"COC1C(=O)NC2=C(C3=C(C=C2)\\C=C/C(C)(CCC=C(C)C)O3)C1(O)C4=CC=C(OC)C=C4","spectrum_id":"CCMSLIB00000850671","spectrum_index":3218},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169307-02_C27H31NO5_8H-Pyrano[2,3-f]quinolin-8-one, 2,7,9,10-tetrahydro-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2-methyl-2-(4-methyl-3-penten-1-yl)-, (2S,9R,10R)-","exact_mass":449.22,"inchikey":"CPWPNTRWIIAFEG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":472.207855,"smiles":"COC1C(=O)NC2=C(C3=C(C=C2)\\C=C/C(C)(CCC=C(C)C)O3)C1(O)C4=CC=C(OC)C=C4","spectrum_id":"CCMSLIB00000850675","spectrum_index":3219},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381179-01_C17H14O4_","exact_mass":282.089,"inchikey":"AHKPCKHDSIQVNI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.095428,"smiles":"OC1=CC=C(C=C1)C/2OC(=O)C(=C2O)/CC3=CC=CC=C3","spectrum_id":"CCMSLIB00000850678","spectrum_index":3220},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381179-01_C17H14O4_","exact_mass":282.089,"inchikey":"AHKPCKHDSIQVNI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.085052,"smiles":"OC1=CC=C(C=C1)C/2OC(=O)C(=C2O)/CC3=CC=CC=C3","spectrum_id":"CCMSLIB00000850681","spectrum_index":3221},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381182-01_C26H34O9_12H-3,5a-Epoxy-5H-furo[3,4-i]oxepino[4,3-a]xanthen-12-one, 1,2,3,6,7,7a,10,14,14a,14b-decahydro-2,6-dihydroxy-3,13-dimethoxy-5,5,7a,9,14b-pentamethyl-","exact_mass":490.22,"inchikey":"ALJZEGCNMPANDZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":491.225586,"smiles":"COC1=C2C(=O)OCC2=C(C)C3=C1CC4C(C)(CC(O)C56OC(OC)(OC5(C)C)C(O)CC46C)O3","spectrum_id":"CCMSLIB00000850683","spectrum_index":3222},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381183-01_C26H31N3O4_","exact_mass":449.231,"inchikey":"MTVNXTIKSNTFEN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.236694,"smiles":"CC\\1(C)OC2=C(\\C=C1)C=C3C(=C2)NC(=O)C3(CC4NC(=O)C5CCCN5C4=O)C(C)(C)C=C","spectrum_id":"CCMSLIB00000850687","spectrum_index":3223},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381183-01_C26H31N3O4_","exact_mass":449.231,"inchikey":"MTVNXTIKSNTFEN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":472.218842,"smiles":"CC\\1(C)OC2=C(\\C=C1)C=C3C(=C2)NC(=O)C3(CC4NC(=O)C5CCCN5C4=O)C(C)(C)C=C","spectrum_id":"CCMSLIB00000850689","spectrum_index":3224},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381184-01_C15H20O9_","exact_mass":344.111,"inchikey":"APQFDHZCDLNMLA-APACUCGBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.098419,"smiles":"OC[C@H]1O[C@@H](OC2=C(CCC(O)=O)C=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000850693","spectrum_index":3225},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381185-01_C26H34O8_(1R,2R,4S,16R,17R,20S)-2-Hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.0~1,17~.0~4,16~.0~6,14~.0~8,12~]tricosa-6(14),7,12-trien-11-one","exact_mass":474.225,"inchikey":"ZVFMDVFPBVFGPG-BLQNBILZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.23056,"smiles":"COC1=C2C[C@H]3[C@](C)(C[C@@H](O)[C@]45O[C@@](CC[C@]34C)(OC)OC5(C)C)OC2=C(C)C6=C1C(=O)OC6","spectrum_id":"CCMSLIB00000850695","spectrum_index":3226},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169922-02_C36H58O10_beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,9xi,18xi,19alpha)-2,3,19-trihydroxy-28-oxoolean-12-en-28-yl]-","exact_mass":650.403,"inchikey":"CUOZRGBQTOSWAY-IFBFNMMESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":668.436462,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000850698","spectrum_index":3227},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169922-02_C36H58O10_beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,9xi,18xi,19alpha)-2,3,19-trihydroxy-28-oxoolean-12-en-28-yl]-","exact_mass":650.403,"inchikey":"CUOZRGBQTOSWAY-IFBFNMMESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":673.393982,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000850702","spectrum_index":3228},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180746-02_C30H48O6_Olean-12-en-28-oic acid, 2,3,19,24-tetrahydroxy-, (2alpha,3beta,5xi,9xi,19alpha)-","exact_mass":504.345,"inchikey":"IFIQVSCCFRXSJV-UFTBQYHPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.345245,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)C5CC[C@@]34C)[C@@H]2[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000850705","spectrum_index":3229},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00346587-02_C14H16O9_Pyrano[3,2-c][2]benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, (2R,3S,4S,4aR,10bS)-","exact_mass":328.079,"inchikey":"YWJXCIXBAKGUKZ-HJJNZUOJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.089783,"smiles":"COC1=C(O)C2=C(C=C1O)C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]23","spectrum_id":"CCMSLIB00000850707","spectrum_index":3230},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347879-02_C21H34O12_Butanoic acid, 3-methyl-, 4-[(beta-D-glucopyranosyloxy)methyl]-1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl ester","exact_mass":478.205,"inchikey":"HOCKGUMMVOPFFC-IWWDQQOVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":501.197021,"smiles":"CC(C)CC(=O)OC1O\\C=C(\\CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3CC(O)C(O)(CO)C13","spectrum_id":"CCMSLIB00000850710","spectrum_index":3231},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385378-01_C31H42O10_7aH,13aH-Cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-13a-carboxaldehyde, 11-(acetyloxy)-1-(2,5-dihydro-5-oxo-3-furanyl)eicosahydro-3a,11a-dihydroxy-9,15a-dimethyl-, (1R,3aS,3bR,6aR,7aS,9R,11S,11aS,12aR,13aR,15aR)-","exact_mass":574.278,"inchikey":"OXKMZIABKYHLAR-CZISGLKOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":575.288574,"smiles":"C[C@@H]1C[C@H](OC(C)=O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)C(CC[C@@H]5C4CC[C@]6(C)[C@H](CC[C@]56O)\\C7=C\\C(=O)OC7)C[C@H]3O[C@@H]2O1","spectrum_id":"CCMSLIB00000850714","spectrum_index":3232},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385378-01_C31H42O10_7aH,13aH-Cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-13a-carboxaldehyde, 11-(acetyloxy)-1-(2,5-dihydro-5-oxo-3-furanyl)eicosahydro-3a,11a-dihydroxy-9,15a-dimethyl-, (1R,3aS,3bR,6aR,7aS,9R,11S,11aS,12aR,13aR,15aR)-","exact_mass":574.278,"inchikey":"OXKMZIABKYHLAR-CZISGLKOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":557.277649,"smiles":"C[C@@H]1C[C@H](OC(C)=O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)C(CC[C@@H]5C4CC[C@]6(C)[C@H](CC[C@]56O)\\C7=C\\C(=O)OC7)C[C@H]3O[C@@H]2O1","spectrum_id":"CCMSLIB00000850716","spectrum_index":3233},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385385-01_C36H56O11_1-O-[(2alpha,3beta,19alpha)-2,3,19-Trihydroxy-24,28-dioxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":664.382,"inchikey":"YINNEDVQUNYQEZ-BOTMRVARSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":665.391296,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C=O)C5CC[C@@]34C)[C@@H]2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000850719","spectrum_index":3234},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385385-01_C36H56O11_1-O-[(2alpha,3beta,19alpha)-2,3,19-Trihydroxy-24,28-dioxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":664.382,"inchikey":"YINNEDVQUNYQEZ-BOTMRVARSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":687.37323,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C=O)C5CC[C@@]34C)[C@@H]2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000850724","spectrum_index":3235},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385386-01_C37H58O10_(3beta,5xi,9beta,15alpha,23R,24S)-3-(alpha-L-Arabinopyranosyloxy)-15-hydroxy-16-oxo-24,25-epoxy-9,19-cyclolanostan-23-yl acetate","exact_mass":662.403,"inchikey":"IHEJMZHKJYHVFF-FDXSHFBGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":663.413086,"smiles":"C[C@H](C[C@@H](OC(C)=O)[C@@H]1OC1(C)C)[C@H]2C(=O)[C@H](O)[C@@]3(C)[C@@H]4CCC5C(C)(C)[C@H](CC[C@@]56C[C@@]46CC[C@]23C)O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000850726","spectrum_index":3236},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385386-01_C37H58O10_(3beta,5xi,9beta,15alpha,23R,24S)-3-(alpha-L-Arabinopyranosyloxy)-15-hydroxy-16-oxo-24,25-epoxy-9,19-cyclolanostan-23-yl acetate","exact_mass":662.403,"inchikey":"IHEJMZHKJYHVFF-FDXSHFBGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":645.402222,"smiles":"C[C@H](C[C@@H](OC(C)=O)[C@@H]1OC1(C)C)[C@H]2C(=O)[C@H](O)[C@@]3(C)[C@@H]4CCC5C(C)(C)[C@H](CC[C@@]56C[C@@]46CC[C@]23C)O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000850729","spectrum_index":3237},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169485-03_C25H30O13_Cyclopenta[c]pyran-4-carboxylic acid, 1-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-, (1S,4aS,7S,7aS)-","exact_mass":538.169,"inchikey":"AEBORMNUOJEQOL-OWDFILOBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":539.170776,"smiles":"C[C@]1(O)CC[C@H]\\2[C@@H]1[C@@H](O\\C=C2C(O)=O)O[C@@H]3O[C@H](COC(=O)\\C=C\\C4=CC(=C(O)C=C4)O)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000850732","spectrum_index":3238},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169485-03_C25H30O13_Cyclopenta[c]pyran-4-carboxylic acid, 1-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-, (1S,4aS,7S,7aS)-","exact_mass":538.169,"inchikey":"AEBORMNUOJEQOL-OWDFILOBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.160156,"smiles":"C[C@]1(O)CC[C@H]\\2[C@@H]1[C@@H](O\\C=C2C(O)=O)O[C@@H]3O[C@H](COC(=O)\\C=C\\C4=CC(=C(O)C=C4)O)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000850735","spectrum_index":3239},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380870-01_C17H14O2_2(5H)-Furanone, 4-phenyl-3-(phenylmethyl)-","exact_mass":250.099,"inchikey":"KJGOARVXLMFYCA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.10463,"smiles":"O=C\\1OC\\C(=C1CC2=CC=CC=C2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000850737","spectrum_index":3240},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380870-01_C17H14O2_2(5H)-Furanone, 4-phenyl-3-(phenylmethyl)-","exact_mass":250.099,"inchikey":"KJGOARVXLMFYCA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.086548,"smiles":"O=C\\1OC\\C(=C1CC2=CC=CC=C2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000850741","spectrum_index":3241},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380875-01_C21H32O11_4-(4-Hydroxyphenyl)-2-butanyl 6-O-[(4xi)-alpha-L-threo-pentofuranosyl]-beta-D-glucopyranoside","exact_mass":460.194,"inchikey":"DJDISCKFJXDADJ-COUYJTLKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.197723,"smiles":"CC(CCC1=CC=C(O)C=C1)O[C@@H]2O[C@H](CO[C@@H]3OC(CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000850744","spectrum_index":3242},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380875-01_C21H32O11_4-(4-Hydroxyphenyl)-2-butanyl 6-O-[(4xi)-alpha-L-threo-pentofuranosyl]-beta-D-glucopyranoside","exact_mass":460.194,"inchikey":"DJDISCKFJXDADJ-COUYJTLKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":478.22403,"smiles":"CC(CCC1=CC=C(O)C=C1)O[C@@H]2O[C@H](CO[C@@H]3OC(CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000850746","spectrum_index":3243},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380875-01_C21H32O11_4-(4-Hydroxyphenyl)-2-butanyl 6-O-[(4xi)-alpha-L-threo-pentofuranosyl]-beta-D-glucopyranoside","exact_mass":460.194,"inchikey":"DJDISCKFJXDADJ-COUYJTLKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":483.179199,"smiles":"CC(CCC1=CC=C(O)C=C1)O[C@@H]2O[C@H](CO[C@@H]3OC(CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000850750","spectrum_index":3244},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380876-01_C29H38O14_Methyl 1,4-bis(beta-D-glucopyranosyloxy)-3-(3-methyl-2-buten-1-yl)-2-naphthoate","exact_mass":610.226,"inchikey":"OZDABLANSWPSGY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":628.254028,"smiles":"COC(=O)C1=C(OC2OC(CO)C(O)C(O)C2O)C3=CC=CC=C3C(=C1CC=C(C)C)OC4OC(CO)C(O)C(O)C4O","spectrum_id":"CCMSLIB00000850752","spectrum_index":3245},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169033-03_C26H36O10_2-Butenoic acid, 2-methyl-, (3R,3aS,4R,6R,8S,9bR)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-8-yl ester, (2E)-","exact_mass":508.231,"inchikey":"WEJWYRUDUWBNIB-AYSRZSOGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":509.23761,"smiles":"CCCC(=O)O[C@@H]1C[C@@](C)(OC(C)=O)C\\2C[C@H](OC(=O)\\C(C)=C\\C)\\C(=C2[C@H]3OC(=O)[C@](C)(O)[C@]13O)C","spectrum_id":"CCMSLIB00000850756","spectrum_index":3246},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169074-02_C25H32O13_Methyl (2S,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":540.184,"inchikey":"RFWGABANNQMHMZ-ZCHJGGQASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":558.216431,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\\C(=C\\C)[C@@H]1CC(=O)OCCC3=CC(=C(O)C=C3)O","spectrum_id":"CCMSLIB00000850758","spectrum_index":3247},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169074-02_C25H32O13_Methyl (2S,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":540.184,"inchikey":"RFWGABANNQMHMZ-ZCHJGGQASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.172363,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\\C(=C\\C)[C@@H]1CC(=O)OCCC3=CC(=C(O)C=C3)O","spectrum_id":"CCMSLIB00000850761","spectrum_index":3248},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169154-02_C26H32O13_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-7-methyl-, (1S,4aS,6S,7R,7aS)-","exact_mass":552.184,"inchikey":"DVNQRYDJAAFJBQ-QZRLTIIASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.190796,"smiles":"COC1=C(O)C=CC(=C1)\\C=C\\C(=O)O[C@H]2C[C@H]\\3[C@@H]([C@H]2C)[C@@H](O\\C=C3C(O)=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000850764","spectrum_index":3249},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180868-02_C16H22O9_3-[2-(beta-D-Glucopyranosyloxy)-4-methoxyphenyl]propanoic acid","exact_mass":358.126,"inchikey":"LIVNOUBJFOXZOR-YMILTQATSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.161224,"smiles":"COC1=CC(=C(CCC(O)=O)C=C1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000850768","spectrum_index":3250},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180868-02_C16H22O9_3-[2-(beta-D-Glucopyranosyloxy)-4-methoxyphenyl]propanoic acid","exact_mass":358.126,"inchikey":"LIVNOUBJFOXZOR-YMILTQATSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.115936,"smiles":"COC1=CC(=C(CCC(O)=O)C=C1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000850771","spectrum_index":3251},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384679-01_C33H44O9_(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-4,9,11-Triacetoxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,3a,4,5,8,9,10,11,13a-decahydro-1H-cyclopenta[12]annulen-1-yl benzoate","exact_mass":584.299,"inchikey":"BRVXVMOWTHQKHC-LKCWGRRXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":567.293701,"smiles":"C[C@H]1C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C(C)(C)[C@@H](C[C@@H](OC(C)=O)\\C(=C\\[C@H]2[C@H]1OC(=O)C3=CC=CC=C3)C)OC(C)=O","spectrum_id":"CCMSLIB00000850774","spectrum_index":3252},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384679-01_C33H44O9_(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-4,9,11-Triacetoxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,3a,4,5,8,9,10,11,13a-decahydro-1H-cyclopenta[12]annulen-1-yl benzoate","exact_mass":584.299,"inchikey":"BRVXVMOWTHQKHC-LKCWGRRXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":602.331238,"smiles":"C[C@H]1C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C(C)(C)[C@@H](C[C@@H](OC(C)=O)\\C(=C\\[C@H]2[C@H]1OC(=O)C3=CC=CC=C3)C)OC(C)=O","spectrum_id":"CCMSLIB00000850778","spectrum_index":3253},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384679-01_C33H44O9_(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-4,9,11-Triacetoxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,3a,4,5,8,9,10,11,13a-decahydro-1H-cyclopenta[12]annulen-1-yl benzoate","exact_mass":584.299,"inchikey":"BRVXVMOWTHQKHC-LKCWGRRXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":607.286621,"smiles":"C[C@H]1C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C(C)(C)[C@@H](C[C@@H](OC(C)=O)\\C(=C\\[C@H]2[C@H]1OC(=O)C3=CC=CC=C3)C)OC(C)=O","spectrum_id":"CCMSLIB00000850781","spectrum_index":3254},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384680-01_C17H24O4_Bicyclo[7.2.0]undec-4-en-3-one, 11-[(acetyloxy)methyl]-4-(hydroxymethyl)-11-methyl-8-methylene-, (1R,4Z,9S)-","exact_mass":292.167,"inchikey":"KAMJEJATROMPAT-WUSAYZOBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.175354,"smiles":"CC(=O)OC[C@]1(C)C[C@H]2[C@H]1CC(=O)\\C(=C/CCC2=C)CO","spectrum_id":"CCMSLIB00000850783","spectrum_index":3255},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384680-01_C17H24O4_Bicyclo[7.2.0]undec-4-en-3-one, 11-[(acetyloxy)methyl]-4-(hydroxymethyl)-11-methyl-8-methylene-, (1R,4Z,9S)-","exact_mass":292.167,"inchikey":"KAMJEJATROMPAT-WUSAYZOBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.157532,"smiles":"CC(=O)OC[C@]1(C)C[C@H]2[C@H]1CC(=O)\\C(=C/CCC2=C)CO","spectrum_id":"CCMSLIB00000850786","spectrum_index":3256},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384682-01_C48H78O18_1-O-[(3beta)-3-{[3-O-(beta-D-Galactopyranosyl)-beta-D-glucopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":942.519,"inchikey":"MHCDFIFLMYBWIV-ZTRMDWOJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":943.517761,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000850789","spectrum_index":3257},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384682-01_C48H78O18_1-O-[(3beta)-3-{[3-O-(beta-D-Galactopyranosyl)-beta-D-glucopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":942.519,"inchikey":"MHCDFIFLMYBWIV-ZTRMDWOJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":960.54425,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000850792","spectrum_index":3258},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384682-01_C48H78O18_1-O-[(3beta)-3-{[3-O-(beta-D-Galactopyranosyl)-beta-D-glucopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":942.519,"inchikey":"MHCDFIFLMYBWIV-ZTRMDWOJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":965.499573,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000850795","spectrum_index":3259},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180170-02_C32H41N3O7_5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione, 1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-5-(2-methyl-1-propen-1-yl)-, (5R,10S,10aR,14aS,15bS)-","exact_mass":579.294,"inchikey":"ACGHJVZDNQZJOV-BMOJZYMJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":580.304749,"smiles":"COC1=CC2=C(C=C1)C3=C4[C@H](CC(C)(C)OO[C@H](C=C(C)C)[N]24)N5C(=O)[C@@H]6CCCN6C(=O)[C@]5(O)[C@H]3OCC=C(C)C","spectrum_id":"CCMSLIB00000850798","spectrum_index":3260},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180170-02_C32H41N3O7_5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione, 1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-5-(2-methyl-1-propen-1-yl)-, (5R,10S,10aR,14aS,15bS)-","exact_mass":579.294,"inchikey":"ACGHJVZDNQZJOV-BMOJZYMJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":562.293884,"smiles":"COC1=CC2=C(C=C1)C3=C4[C@H](CC(C)(C)OO[C@H](C=C(C)C)[N]24)N5C(=O)[C@@H]6CCCN6C(=O)[C@]5(O)[C@H]3OCC=C(C)C","spectrum_id":"CCMSLIB00000850801","spectrum_index":3261},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180170-02_C32H41N3O7_5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione, 1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-5-(2-methyl-1-propen-1-yl)-, (5R,10S,10aR,14aS,15bS)-","exact_mass":579.294,"inchikey":"ACGHJVZDNQZJOV-BMOJZYMJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":602.286316,"smiles":"COC1=CC2=C(C=C1)C3=C4[C@H](CC(C)(C)OO[C@H](C=C(C)C)[N]24)N5C(=O)[C@@H]6CCCN6C(=O)[C@]5(O)[C@H]3OCC=C(C)C","spectrum_id":"CCMSLIB00000850804","spectrum_index":3262},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380798-01_C45H57N3O9_(3S,6R,9S,12R,15S,18R)-3,9,15-Tribenzyl-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","exact_mass":783.409,"inchikey":"GYSCAQFHASJXRS-FFCOJMSVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":784.417969,"smiles":"CC(C)[C@H]1OC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](OC(=O)[C@H](CC3=CC=CC=C3)N(C)C(=O)[C@H](OC(=O)[C@H](CC4=CC=CC=C4)N(C)C1=O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000850806","spectrum_index":3263},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380798-01_C45H57N3O9_(3S,6R,9S,12R,15S,18R)-3,9,15-Tribenzyl-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","exact_mass":783.409,"inchikey":"GYSCAQFHASJXRS-FFCOJMSVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":801.444092,"smiles":"CC(C)[C@H]1OC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](OC(=O)[C@H](CC3=CC=CC=C3)N(C)C(=O)[C@H](OC(=O)[C@H](CC4=CC=CC=C4)N(C)C1=O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000850809","spectrum_index":3264},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380798-01_C45H57N3O9_(3S,6R,9S,12R,15S,18R)-3,9,15-Tribenzyl-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","exact_mass":783.409,"inchikey":"GYSCAQFHASJXRS-FFCOJMSVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":806.399597,"smiles":"CC(C)[C@H]1OC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](OC(=O)[C@H](CC3=CC=CC=C3)N(C)C(=O)[C@H](OC(=O)[C@H](CC4=CC=CC=C4)N(C)C1=O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000850812","spectrum_index":3265},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380798-01_C45H57N3O9_(3S,6R,9S,12R,15S,18R)-3,9,15-Tribenzyl-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","exact_mass":783.409,"inchikey":"GYSCAQFHASJXRS-FFCOJMSVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":822.373413,"smiles":"CC(C)[C@H]1OC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](OC(=O)[C@H](CC3=CC=CC=C3)N(C)C(=O)[C@H](OC(=O)[C@H](CC4=CC=CC=C4)N(C)C1=O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000850816","spectrum_index":3266},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380801-01_C20H28O4_7,19-Dihydroxy-6,18-epoxykaur-16-en-18-one","exact_mass":332.199,"inchikey":"RDUNXXWNAKBVER-AJHBJYRYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.207794,"smiles":"C[C@@]12CCC[C@]3(CO)[C@H]1[C@@H](OC3=O)[C@H](O)[C@@]45C[C@@H](CC[C@@H]24)C(=C)C5","spectrum_id":"CCMSLIB00000850819","spectrum_index":3267},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380804-01_C31H48O10_(2R,3S,4E,6E,8E,10E,12E,14R,15R,16R,18R,22S,24S,26S,27R)-14,16,18,22,24,26-Hexahydroxy-2,3,27-trimethyl-28-oxooxacyclooctacosa-4,6,8,10,12-pentaene-15-carboxylic acid","exact_mass":580.325,"inchikey":"ALFUZUYJAXAEKE-XZPMJXFYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":581.33429,"smiles":"C[C@H]1OC(=O)[C@H](C)[C@@H](O)C[C@@H](O)C[C@@H](O)CCC[C@@H](O)C[C@@H](O)[C@H]([C@H](O)/C=C/C=C/C=C/C=C/C=C/[C@@H]1C)C(O)=O","spectrum_id":"CCMSLIB00000850822","spectrum_index":3268},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380804-01_C31H48O10_(2R,3S,4E,6E,8E,10E,12E,14R,15R,16R,18R,22S,24S,26S,27R)-14,16,18,22,24,26-Hexahydroxy-2,3,27-trimethyl-28-oxooxacyclooctacosa-4,6,8,10,12-pentaene-15-carboxylic acid","exact_mass":580.325,"inchikey":"ALFUZUYJAXAEKE-XZPMJXFYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.323608,"smiles":"C[C@H]1OC(=O)[C@H](C)[C@@H](O)C[C@@H](O)C[C@@H](O)CCC[C@@H](O)C[C@@H](O)[C@H]([C@H](O)/C=C/C=C/C=C/C=C/C=C/[C@@H]1C)C(O)=O","spectrum_id":"CCMSLIB00000850825","spectrum_index":3269},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380805-01_C28H35N3O4_(1R,3S,5R,7S,12S)-4,4,4',4',12,14-Hexamethyl-4'H,13H-spiro[9,14-diazatetracyclo[5.5.2.0~1,9~.0~3,7~]tetradecane-5,8'-[1,4]dioxepino[2,3-g]indole]-9',13(10'H)-dione","exact_mass":477.263,"inchikey":"XNXXZRQPTAQILV-CRVFWCNJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":478.272034,"smiles":"C[C@H]1CCN2C[C@]34C[C@@]5(C(=O)NC6=C5C=CC7=C6O\\C=C/C(C)(C)O7)C(C)(C)C3C[C@]12C(=O)N4C","spectrum_id":"CCMSLIB00000850827","spectrum_index":3270},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380807-01_C26H31N3O3_Pyrrolo[1,2-a]pyrazine-1,4-dione, 3-[[7-(1,1-dimethyl-2-propen-1-yl)-2,8-dihydro-2,2-dimethylpyrano[3,2-f]indol-6-yl]methyl]hexahydro-","exact_mass":433.237,"inchikey":"GKEMOLJYROWHLA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.245911,"smiles":"CC\\1(C)OC2=CC3=C(C=C2\\C=C1)C(=C([NH]3)C(C)(C)C=C)CC4NC(=O)C5CCCN5C4=O","spectrum_id":"CCMSLIB00000850830","spectrum_index":3271},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380807-01_C26H31N3O3_Pyrrolo[1,2-a]pyrazine-1,4-dione, 3-[[7-(1,1-dimethyl-2-propen-1-yl)-2,8-dihydro-2,2-dimethylpyrano[3,2-f]indol-6-yl]methyl]hexahydro-","exact_mass":433.237,"inchikey":"GKEMOLJYROWHLA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":456.227936,"smiles":"CC\\1(C)OC2=CC3=C(C=C2\\C=C1)C(=C([NH]3)C(C)(C)C=C)CC4NC(=O)C5CCCN5C4=O","spectrum_id":"CCMSLIB00000850833","spectrum_index":3272},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169454-03_C20H18O7_2-Furancarboxylic acid, 2,5-dihydro-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-methoxy-5-oxo-, methyl ester","exact_mass":370.105,"inchikey":"DYMYDSWEIIXYNX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.113434,"smiles":"COC(=O)C\\1(CC2=CC=C(O)C=C2)OC(=O)\\C(=C1C3=CC=C(O)C=C3)OC","spectrum_id":"CCMSLIB00000850836","spectrum_index":3273},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180503-03_C28H37NO8_Pentanedioic acid, 2-[(2R,2'R,6'R,8a'S)-3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-6-oxospiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-7(3H)-yl]-, (2S)-","exact_mass":515.252,"inchikey":"QZGOQORSUIQVIR-FFZVSTMVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":516.259583,"smiles":"C[C@@H]1CCC2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]13CC4=C(O)C=C5C(=O)N(CC5=C4O3)[C@@H](CCC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000850839","spectrum_index":3274},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347572-02_C30H39NO9_Pentanedioic acid, 2-[(2R,2'R,6'S,8a'S)-6'-(acetyloxy)-3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4-hydroxy-2',5',5',8'a-tetramethyl-6-oxospiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-7(3H)-yl]-, (2S)-","exact_mass":557.263,"inchikey":"QOSHGFOSXAHAJH-RDHHEUPCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":558.268738,"smiles":"C[C@@H]1CCC2C(C)(C)[C@H](CC[C@]2(C)[C@@]13CC4=C(O3)C5=C(C=C4O)C(=O)N(C5)[C@@H](CCC(O)=O)C(O)=O)OC(C)=O","spectrum_id":"CCMSLIB00000850844","spectrum_index":3275},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347572-02_C30H39NO9_Pentanedioic acid, 2-[(2R,2'R,6'S,8a'S)-6'-(acetyloxy)-3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4-hydroxy-2',5',5',8'a-tetramethyl-6-oxospiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-7(3H)-yl]-, (2S)-","exact_mass":557.263,"inchikey":"QOSHGFOSXAHAJH-RDHHEUPCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":580.251526,"smiles":"C[C@@H]1CCC2C(C)(C)[C@H](CC[C@]2(C)[C@@]13CC4=C(O3)C5=C(C=C4O)C(=O)N(C5)[C@@H](CCC(O)=O)C(O)=O)OC(C)=O","spectrum_id":"CCMSLIB00000850847","spectrum_index":3276},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380321-01_C15H22O4_11-(Hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.0~1,5~]undecane-9-carboxylic acid","exact_mass":266.152,"inchikey":"QIYQVTNAEPQSBX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.159454,"smiles":"CC1C(=O)CC2C3CCC(C(O)=O)C12CC3(C)CO","spectrum_id":"CCMSLIB00000850850","spectrum_index":3277},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380321-01_C15H22O4_11-(Hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.0~1,5~]undecane-9-carboxylic acid","exact_mass":266.152,"inchikey":"QIYQVTNAEPQSBX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.149185,"smiles":"CC1C(=O)CC2C3CCC(C(O)=O)C12CC3(C)CO","spectrum_id":"CCMSLIB00000850853","spectrum_index":3278},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380324-01_C23H29ClO5_Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3-methyl-7-[(2S)-tetrahydro-5,5-dimethyl-4-oxo-2-furanyl]-2,6-octadien-1-yl]-","exact_mass":420.17,"inchikey":"VGYPZLGWVQQOST-LWTYEDPSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.178406,"smiles":"CC(/CC/C=C(C)/[C@H]1CC(=O)C(C)(C)O1)=C\\CC2=C(O)C(=C(C)C(=C2O)Cl)C=O","spectrum_id":"CCMSLIB00000850856","spectrum_index":3279},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380324-01_C23H29ClO5_Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3-methyl-7-[(2S)-tetrahydro-5,5-dimethyl-4-oxo-2-furanyl]-2,6-octadien-1-yl]-","exact_mass":420.17,"inchikey":"VGYPZLGWVQQOST-LWTYEDPSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.167755,"smiles":"CC(/CC/C=C(C)/[C@H]1CC(=O)C(C)(C)O1)=C\\CC2=C(O)C(=C(C)C(=C2O)Cl)C=O","spectrum_id":"CCMSLIB00000850859","spectrum_index":3280},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380324-01_C23H29ClO5_Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3-methyl-7-[(2S)-tetrahydro-5,5-dimethyl-4-oxo-2-furanyl]-2,6-octadien-1-yl]-","exact_mass":420.17,"inchikey":"VGYPZLGWVQQOST-LWTYEDPSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.160828,"smiles":"CC(/CC/C=C(C)/[C@H]1CC(=O)C(C)(C)O1)=C\\CC2=C(O)C(=C(C)C(=C2O)Cl)C=O","spectrum_id":"CCMSLIB00000850860","spectrum_index":3281},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380333-01_C20H30O2_1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, (1S,4aR,10aR)-","exact_mass":302.225,"inchikey":"MHVJRKBZMUDEEV-KGQMWYBFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.232361,"smiles":"CC/1(CCC2C(=C1)/CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)C=C","spectrum_id":"CCMSLIB00000850864","spectrum_index":3282},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380334-01_C34H42O18_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[3-O-acetyl-6-deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, 2-acetate","exact_mass":738.237,"inchikey":"MIQMVCTWXSPFSC-TUVVYHBMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":739.242676,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(C)=O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](OC(=O)/C=C/C6=CC=C(O)C=C6)[C@H](OC(C)=O)[C@H]1O","spectrum_id":"CCMSLIB00000850866","spectrum_index":3283},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380334-01_C34H42O18_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[3-O-acetyl-6-deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, 2-acetate","exact_mass":738.237,"inchikey":"MIQMVCTWXSPFSC-TUVVYHBMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":756.268982,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(C)=O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](OC(=O)/C=C/C6=CC=C(O)C=C6)[C@H](OC(C)=O)[C@H]1O","spectrum_id":"CCMSLIB00000850869","spectrum_index":3284},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380334-01_C34H42O18_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[3-O-acetyl-6-deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, 2-acetate","exact_mass":738.237,"inchikey":"MIQMVCTWXSPFSC-TUVVYHBMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":761.224182,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(C)=O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](OC(=O)/C=C/C6=CC=C(O)C=C6)[C@H](OC(C)=O)[C@H]1O","spectrum_id":"CCMSLIB00000850872","spectrum_index":3285},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169503-02_C23H28O11_1-Cyclohexene-1-carboxylic acid, 3,4-dihydroxy-5-[[2-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-, methyl ester, (3R,4R,5R)-","exact_mass":480.163,"inchikey":"DWQNDLRNUNNJHX-NZNOAPCVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.172485,"smiles":"COC(=O)\\C1=C\\[C@@H](O)[C@@H](O)[C@@H](C1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)\\C=C\\C3=CC=CC=C3","spectrum_id":"CCMSLIB00000850875","spectrum_index":3286},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169503-02_C23H28O11_1-Cyclohexene-1-carboxylic acid, 3,4-dihydroxy-5-[[2-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-, methyl ester, (3R,4R,5R)-","exact_mass":480.163,"inchikey":"DWQNDLRNUNNJHX-NZNOAPCVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.154419,"smiles":"COC(=O)\\C1=C\\[C@@H](O)[C@@H](O)[C@@H](C1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)\\C=C\\C3=CC=CC=C3","spectrum_id":"CCMSLIB00000850879","spectrum_index":3287},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169509-02_C30H44O9_(3beta,5beta)-3-[(2,6-Dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide","exact_mass":548.299,"inchikey":"XQCGNURMLWFQJR-ZNDDOCHDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":549.307434,"smiles":"CO[C@H]1C[C@@H](O[C@H](C)[C@H]1O)O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)\\C6=C\\C(=O)OC6","spectrum_id":"CCMSLIB00000850881","spectrum_index":3288},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380135-02_C15H20O5_Spiro[7H-cyclohepta[b]furan-7,2'(5'H)-furan]-2,5'(3H)-dione, octahydro-8-hydroxy-6,8-dimethyl-3-methylene-, (3aS,6S,7R,8aR)-","exact_mass":280.131,"inchikey":"IRPFOXRBPHCCTG-CZLFTNFUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.129517,"smiles":"C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(C)(O)[C@@]13CCC(=O)O3","spectrum_id":"CCMSLIB00000850885","spectrum_index":3289},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380936-01_C13H19NO5_1,3-Dioxolo[4,5-c]pyridin-4(5H)-one, 2-(1-hydroxy-1-methoxy-3-methylbutyl)-6-methyl-","exact_mass":269.126,"inchikey":"VVLWYFUJJAWYBP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":270.13562,"smiles":"COC(O)(CC(C)C)C1OC/2=C(O1)/C(=O)N/C(=C2)C","spectrum_id":"CCMSLIB00000850889","spectrum_index":3290},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380936-01_C13H19NO5_1,3-Dioxolo[4,5-c]pyridin-4(5H)-one, 2-(1-hydroxy-1-methoxy-3-methylbutyl)-6-methyl-","exact_mass":269.126,"inchikey":"VVLWYFUJJAWYBP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":292.117218,"smiles":"COC(O)(CC(C)C)C1OC/2=C(O1)/C(=O)N/C(=C2)C","spectrum_id":"CCMSLIB00000850890","spectrum_index":3291},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380937-01_C31H40O10_(1S,2R,4S,9R,10R,14S,15S,17S)-9-(3-Furyl)-1-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0~2,4~.0~4,13~.0~5,10~]octadec-17-yl 2-methylpropanoate","exact_mass":572.262,"inchikey":"LOOFGUAWTZPQEG-BWSSPMROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":573.270569,"smiles":"COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)[C@]2(O)[C@H]3O[C@@]34C(CC[C@]5(C)C4CC(=O)O[C@H]5C6=COC=C6)[C@@]1(C)C2=O","spectrum_id":"CCMSLIB00000850893","spectrum_index":3292},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380937-01_C31H40O10_(1S,2R,4S,9R,10R,14S,15S,17S)-9-(3-Furyl)-1-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0~2,4~.0~4,13~.0~5,10~]octadec-17-yl 2-methylpropanoate","exact_mass":572.262,"inchikey":"LOOFGUAWTZPQEG-BWSSPMROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":555.260132,"smiles":"COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)[C@]2(O)[C@H]3O[C@@]34C(CC[C@]5(C)C4CC(=O)O[C@H]5C6=COC=C6)[C@@]1(C)C2=O","spectrum_id":"CCMSLIB00000850896","spectrum_index":3293},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380937-01_C31H40O10_(1S,2R,4S,9R,10R,14S,15S,17S)-9-(3-Furyl)-1-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0~2,4~.0~4,13~.0~5,10~]octadec-17-yl 2-methylpropanoate","exact_mass":572.262,"inchikey":"LOOFGUAWTZPQEG-BWSSPMROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":590.296997,"smiles":"COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)[C@]2(O)[C@H]3O[C@@]34C(CC[C@]5(C)C4CC(=O)O[C@H]5C6=COC=C6)[C@@]1(C)C2=O","spectrum_id":"CCMSLIB00000850900","spectrum_index":3294},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380937-01_C31H40O10_(1S,2R,4S,9R,10R,14S,15S,17S)-9-(3-Furyl)-1-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0~2,4~.0~4,13~.0~5,10~]octadec-17-yl 2-methylpropanoate","exact_mass":572.262,"inchikey":"LOOFGUAWTZPQEG-BWSSPMROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.252441,"smiles":"COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)[C@]2(O)[C@H]3O[C@@]34C(CC[C@]5(C)C4CC(=O)O[C@H]5C6=COC=C6)[C@@]1(C)C2=O","spectrum_id":"CCMSLIB00000850902","spectrum_index":3295},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384513-01_C42H64O19_(3beta,5alpha,9xi)-3-{[beta-D-Glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-6-deoxy-3-O-methyl-beta-L-idopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolide","exact_mass":872.404,"inchikey":"WPNLWBRKPZXVGD-ZZOAZOMRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":873.4104,"smiles":"CO[C@@H]1[C@@H](O)[C@H](O[C@@H](C)[C@H]1O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]4CC[C@@]5(C=O)[C@@H](CC[C@@H]6C5CC[C@]7(C)[C@H](CC[C@]67O)/C8=C/C(=O)OC8)C4","spectrum_id":"CCMSLIB00000850906","spectrum_index":3296},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384513-01_C42H64O19_(3beta,5alpha,9xi)-3-{[beta-D-Glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-6-deoxy-3-O-methyl-beta-L-idopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolide","exact_mass":872.404,"inchikey":"WPNLWBRKPZXVGD-ZZOAZOMRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":890.437012,"smiles":"CO[C@@H]1[C@@H](O)[C@H](O[C@@H](C)[C@H]1O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]4CC[C@@]5(C=O)[C@@H](CC[C@@H]6C5CC[C@]7(C)[C@H](CC[C@]67O)/C8=C/C(=O)OC8)C4","spectrum_id":"CCMSLIB00000850910","spectrum_index":3297},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384906-01_C18H21N3O3_6H-Oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione, 10,11-dihydro-8-(1-methylethyl)-11-(2-methylpropylidene)-, (11Z)-","exact_mass":327.158,"inchikey":"CCHUDPANZXHQCS-LCYFTJDESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":328.165741,"smiles":"CC(C)/C=C/1NC(=O)C(C(C)C)N2C(=O)C/3=C(O\\C=C/C=C3)\\N=C12","spectrum_id":"CCMSLIB00000850915","spectrum_index":3298},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384907-01_C40H62O15_1,20-Dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-3-yl 6-O-hexopyranosylhexopyranoside","exact_mass":782.409,"inchikey":"MKCYAASFWFGIJK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":783.412048,"smiles":"CC/1=C(C)/C(=O)OC(C1)C(C)(O)C2CCC3C4C/C=C5/CC(CC(O)C5(C)C4CCC23C)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000850918","spectrum_index":3299},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384907-01_C40H62O15_1,20-Dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-3-yl 6-O-hexopyranosylhexopyranoside","exact_mass":782.409,"inchikey":"MKCYAASFWFGIJK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":800.437988,"smiles":"CC/1=C(C)/C(=O)OC(C1)C(C)(O)C2CCC3C4C/C=C5/CC(CC(O)C5(C)C4CCC23C)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000850920","spectrum_index":3300},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384907-01_C40H62O15_1,20-Dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-3-yl 6-O-hexopyranosylhexopyranoside","exact_mass":782.409,"inchikey":"MKCYAASFWFGIJK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":805.39386,"smiles":"CC/1=C(C)/C(=O)OC(C1)C(C)(O)C2CCC3C4C/C=C5/CC(CC(O)C5(C)C4CCC23C)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000850923","spectrum_index":3301},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384920-01_C36H54O14_Card-20(22)-enolide, 3-[(6-deoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-14-hydroxy-19-oxo-","exact_mass":710.351,"inchikey":"SPNFRQDQOJKTSQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":733.336853,"smiles":"COC1C(O)C(OC(C)C1OC2OC(CO)C(O)C(O)C2O)OC3CCC4(C=O)C(CCC5C4CCC6(C)C(CCC56O)\\C7=C\\C(=O)OC7)C3","spectrum_id":"CCMSLIB00000850926","spectrum_index":3302},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384921-01_C27H34O7_Methyl [(1S,3S,7R,8R,9R,12S,13S)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0~1,12~.0~3,8~]heptadec-7-yl]acetate","exact_mass":470.23,"inchikey":"YNMYHRYTRCKSMI-SQHTYAHXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.237152,"smiles":"COC(=O)C[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](C5=COC=C5)[C@]3(C)CC[C@@H](C4=C)[C@]12C","spectrum_id":"CCMSLIB00000850929","spectrum_index":3303},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384921-01_C27H34O7_Methyl [(1S,3S,7R,8R,9R,12S,13S)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0~1,12~.0~3,8~]heptadec-7-yl]acetate","exact_mass":470.23,"inchikey":"YNMYHRYTRCKSMI-SQHTYAHXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.264435,"smiles":"COC(=O)C[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](C5=COC=C5)[C@]3(C)CC[C@@H](C4=C)[C@]12C","spectrum_id":"CCMSLIB00000850932","spectrum_index":3304},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384921-01_C27H34O7_Methyl [(1S,3S,7R,8R,9R,12S,13S)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0~1,12~.0~3,8~]heptadec-7-yl]acetate","exact_mass":470.23,"inchikey":"YNMYHRYTRCKSMI-SQHTYAHXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.218933,"smiles":"COC(=O)C[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](C5=COC=C5)[C@]3(C)CC[C@@H](C4=C)[C@]12C","spectrum_id":"CCMSLIB00000850935","spectrum_index":3305},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384923-01_C55H82O25_Hexopyranoside, (1beta,3beta,8xi,9xi,14xi,17beta,23S,24S)-3,23-dihydroxy-1-[[O-2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-xylopyranosyl-(1->3)]-alpha-L-arabinopyranosyl]oxy]spirosta-5,25(27)-dien-24-yl 6-deoxy-","exact_mass":1142.51,"inchikey":"HZKLFYZYQUFAMX-HDCAYGKSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1143.511353,"smiles":"CC1OC(O[C@@H]2[C@H](O)[C@@]3(OCC2=C)O[C@H]4CC5C6C/C=C7/C[C@@H](O)C[C@@H](O[C@@H]8OC[C@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]%10O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]%10OC(C)=O)[C@]7(C)C6CC[C@]5(C)[C@@H]4[C@@H]3C)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000850938","spectrum_index":3306},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384925-01_C22H28O8_[(2'R,3R,4'R,4a'R,5S,5'R,7'S,8a'S)-5-(3-Furyl)-4',7'-dihydroxy-2'-methyl-2-oxooctahydrodispiro[furan-3,1'-naphthalene-5',2''-oxiran]-4a'(2'H)-yl]methyl acetate","exact_mass":420.178,"inchikey":"QBUFIBYHAIKJCS-IZZFZGLZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.185822,"smiles":"C[C@@H]1C[C@@H](O)[C@]2(COC(C)=O)[C@H](C[C@H](O)C[C@]23CO3)[C@@]14C[C@H](OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000850941","spectrum_index":3307},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384925-01_C22H28O8_[(2'R,3R,4'R,4a'R,5S,5'R,7'S,8a'S)-5-(3-Furyl)-4',7'-dihydroxy-2'-methyl-2-oxooctahydrodispiro[furan-3,1'-naphthalene-5',2''-oxiran]-4a'(2'H)-yl]methyl acetate","exact_mass":420.178,"inchikey":"QBUFIBYHAIKJCS-IZZFZGLZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.17514,"smiles":"C[C@@H]1C[C@@H](O)[C@]2(COC(C)=O)[C@H](C[C@H](O)C[C@]23CO3)[C@@]14C[C@H](OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000850944","spectrum_index":3308},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180491-02_C11H14N4O4S_6H-Purin-6-one, 1,9-dihydro-9-(5-S-methyl-5-thiopentofuranosyl)-","exact_mass":298.074,"inchikey":"GXYLOXCSJFJFKA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.078857,"smiles":"CSCC1OC(C(O)C1O)[N]2C=NC3=C2\\N=C/NC3=O","spectrum_id":"CCMSLIB00000850947","spectrum_index":3309},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180491-02_C11H14N4O4S_6H-Purin-6-one, 1,9-dihydro-9-(5-S-methyl-5-thiopentofuranosyl)-","exact_mass":298.074,"inchikey":"GXYLOXCSJFJFKA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.060944,"smiles":"CSCC1OC(C(O)C1O)[N]2C=NC3=C2\\N=C/NC3=O","spectrum_id":"CCMSLIB00000850950","spectrum_index":3310},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381001-01_C32H41NO11_","exact_mass":615.268,"inchikey":"AAIIJIOWYALNCC-PPNZYPONSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":616.27002,"smiles":"C[C@@H]1CCC2C(C)(C)[C@H](OC(C)=O)[C@@H](C[C@]2(C)[C@@]13CC4=C(O3)C5=C(C=C4O)C(=O)N(C5)[C@@H](CCC(O)=O)C(O)=O)OC(C)=O","spectrum_id":"CCMSLIB00000850953","spectrum_index":3311},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381001-01_C32H41NO11_","exact_mass":615.268,"inchikey":"AAIIJIOWYALNCC-PPNZYPONSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":638.25116,"smiles":"C[C@@H]1CCC2C(C)(C)[C@H](OC(C)=O)[C@@H](C[C@]2(C)[C@@]13CC4=C(O3)C5=C(C=C4O)C(=O)N(C5)[C@@H](CCC(O)=O)C(O)=O)OC(C)=O","spectrum_id":"CCMSLIB00000850956","spectrum_index":3312},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381002-01_C25H33NO6_Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-6(3H)-one, 7'-(acetyloxy)-3',4',4'a,5',6',7,7',8,8',8'a-decahydro-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-, (2R,2'R,4a'S,6'S,8a'S)-","exact_mass":443.231,"inchikey":"MLWSQMMSROWDTI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.235229,"smiles":"CC1CCC2C(C)(C)C(O)C(CC2(C)C13CC4=C(O3)C5=C(C=C4O)C(=O)NC5)OC(C)=O","spectrum_id":"CCMSLIB00000850959","spectrum_index":3313},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381004-01_C20H30O5_(1S,2R,4aR)-1-Hydroxy-7-isopropylidene-1,4a-dimethyl-6-oxodecahydro-2-naphthalenyl 2,3-dimethyl-2-oxiranecarboxylate","exact_mass":350.209,"inchikey":"COBSHSDADSYWJI-HVQLTFSKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.214142,"smiles":"CC1OC1(C)C(=O)O[C@@H]2CC[C@]3(C)CC(=O)C(CC3[C@]2(C)O)=C(C)C","spectrum_id":"CCMSLIB00000850962","spectrum_index":3314},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381004-01_C20H30O5_(1S,2R,4aR)-1-Hydroxy-7-isopropylidene-1,4a-dimethyl-6-oxodecahydro-2-naphthalenyl 2,3-dimethyl-2-oxiranecarboxylate","exact_mass":350.209,"inchikey":"COBSHSDADSYWJI-HVQLTFSKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.172882,"smiles":"CC1OC1(C)C(=O)O[C@@H]2CC[C@]3(C)CC(=O)C(CC3[C@]2(C)O)=C(C)C","spectrum_id":"CCMSLIB00000850965","spectrum_index":3315},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381005-01_C17H25NO5_","exact_mass":323.173,"inchikey":"QBSZVMLDNVHDKB-HRCIMPOESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":324.178436,"smiles":"CC(O)/C=C(C)/C=C(C)/C(=O)CC1CC(CC(N)=O)CC(=O)O1","spectrum_id":"CCMSLIB00000850968","spectrum_index":3316},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381005-01_C17H25NO5_","exact_mass":323.173,"inchikey":"QBSZVMLDNVHDKB-HRCIMPOESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":306.168182,"smiles":"CC(O)/C=C(C)/C=C(C)/C(=O)CC1CC(CC(N)=O)CC(=O)O1","spectrum_id":"CCMSLIB00000850971","spectrum_index":3317},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381005-01_C17H25NO5_","exact_mass":323.173,"inchikey":"QBSZVMLDNVHDKB-HRCIMPOESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.160339,"smiles":"CC(O)/C=C(C)/C=C(C)/C(=O)CC1CC(CC(N)=O)CC(=O)O1","spectrum_id":"CCMSLIB00000850974","spectrum_index":3318},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381006-01_C20H26O10_2-(beta-D-Glucopyranosyloxy)benzyl 1,6-dihydroxy-2-cyclohexene-1-carboxylate","exact_mass":426.153,"inchikey":"JHAXQRDTTACRKJ-FQDDALBOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.183258,"smiles":"OC[C@H]1O[C@@H](OC2=CC=CC=C2COC(=O)C3(O)\\C=C/CCC3O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000850976","spectrum_index":3319},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381006-01_C20H26O10_2-(beta-D-Glucopyranosyloxy)benzyl 1,6-dihydroxy-2-cyclohexene-1-carboxylate","exact_mass":426.153,"inchikey":"JHAXQRDTTACRKJ-FQDDALBOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.138855,"smiles":"OC[C@H]1O[C@@H](OC2=CC=CC=C2COC(=O)C3(O)\\C=C/CCC3O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000850979","spectrum_index":3320},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381007-01_C21H23NO8_(5S,8S,9R)-8-Benzoyl-2-[(1S,2S,3Z)-1,2-dihydroxy-3-hexen-1-yl]-8,9-dihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione","exact_mass":417.142,"inchikey":"BCXXBFMWUYYHIF-BJBAUCALSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.146606,"smiles":"CC\\C=C/[C@H](O)[C@H](O)\\C1=C(/C)C(=O)[C@@]2(O1)[C@@H](O)[C@@](O)(NC2=O)C(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000850982","spectrum_index":3321},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381007-01_C21H23NO8_(5S,8S,9R)-8-Benzoyl-2-[(1S,2S,3Z)-1,2-dihydroxy-3-hexen-1-yl]-8,9-dihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione","exact_mass":417.142,"inchikey":"BCXXBFMWUYYHIF-BJBAUCALSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":440.128876,"smiles":"CC\\C=C/[C@H](O)[C@H](O)\\C1=C(/C)C(=O)[C@@]2(O1)[C@@H](O)[C@@](O)(NC2=O)C(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000850984","spectrum_index":3322},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347396-02_C29H36O11_7,11-Methano-2H,4H-oxireno[1,8]cycloocta[1,2-f][2]benzopyran-8-acetic acid, 10-(acetyloxy)-4-(3-furanyl)dodecahydro-alpha,11-dihydroxy-4a,7,9,9-tetramethyl-2,13-dioxo-, methyl ester, (alphaR,4R,4aR,7S,8S,10S,11S,11aR,12aS)-","exact_mass":560.226,"inchikey":"QBOFNNDGXMMAOI-QXYFZNHMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.237122,"smiles":"COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(C)=O)[C@]2(O)[C@H]3O[C@@]34C(CC[C@]5(C)C4CC(=O)O[C@H]5C6=COC=C6)[C@@]1(C)C2=O","spectrum_id":"CCMSLIB00000850987","spectrum_index":3323},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347396-02_C29H36O11_7,11-Methano-2H,4H-oxireno[1,8]cycloocta[1,2-f][2]benzopyran-8-acetic acid, 10-(acetyloxy)-4-(3-furanyl)dodecahydro-alpha,11-dihydroxy-4a,7,9,9-tetramethyl-2,13-dioxo-, methyl ester, (alphaR,4R,4aR,7S,8S,10S,11S,11aR,12aS)-","exact_mass":560.226,"inchikey":"QBOFNNDGXMMAOI-QXYFZNHMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":578.263611,"smiles":"COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(C)=O)[C@]2(O)[C@H]3O[C@@]34C(CC[C@]5(C)C4CC(=O)O[C@H]5C6=COC=C6)[C@@]1(C)C2=O","spectrum_id":"CCMSLIB00000850990","spectrum_index":3324},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347767-02_C32H36O13_6H-10,13-Etheno-19,15-metheno-3H,15H,23H-pyrano[3,4-c][1,7,14]trioxacycloheneicosin-6,23-dione, 4-ethylidene-3-(beta-D-glucopyranosyloxy)-4,4a,5,8,9,20,21-heptahydro-16-hydroxy-, (3S,4Z,4aS)-","exact_mass":628.216,"inchikey":"YRQNFHSTTZXQBU-HTVHDVGDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":629.226929,"smiles":"C\\C=C1/[C@@H](O\\C=C2/[C@H]1CC(=O)OCCC3=CC=C(OC4=CC(=CC=C4O)CCOC2=O)C=C3)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O","spectrum_id":"CCMSLIB00000850993","spectrum_index":3325},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347767-02_C32H36O13_6H-10,13-Etheno-19,15-metheno-3H,15H,23H-pyrano[3,4-c][1,7,14]trioxacycloheneicosin-6,23-dione, 4-ethylidene-3-(beta-D-glucopyranosyloxy)-4,4a,5,8,9,20,21-heptahydro-16-hydroxy-, (3S,4Z,4aS)-","exact_mass":628.216,"inchikey":"YRQNFHSTTZXQBU-HTVHDVGDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":651.209106,"smiles":"C\\C=C1/[C@@H](O\\C=C2/[C@H]1CC(=O)OCCC3=CC=C(OC4=CC(=CC=C4O)CCOC2=O)C=C3)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O","spectrum_id":"CCMSLIB00000850997","spectrum_index":3326},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385339-01_C22H26O11_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-(benzoyloxy)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl","exact_mass":466.148,"inchikey":"GOHHRVCULPSXEU-RWORTQBESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.141357,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3[C@H](OC(=O)C4=CC=CC=C4)[C@@H]5O[C@]5(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851000","spectrum_index":3327},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385343-01_C69H108O32_2-Butenoic acid, 2-methyl-, (3beta,5xi,9xi,16alpha,18xi,21beta,22alpha,28R)-13,28-epoxy-3-[[O-beta-D-galactopyranosyl-(1->2)-O-[O-beta-D-xylopyranosyl-(1->2)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)]-beta-D-glucopyranuronosyl]oxy]-16,28-dihydroxyoleanane-21,22-diyl ester, (2Z,2'Z)-","exact_mass":1448.68,"inchikey":"GMWFLRBBLJCJDG-AVJKRUMUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1431.670288,"smiles":"C\\C=C(C)/C(=O)O[C@H]1[C@H](OC(=O)\\C(C)=C/C)[C@@]23[C@H](O)C[C@@]4(C)[C@]5(C)CCC6C(C)(C)[C@H](CC[C@]6(C)C5CC[C@]4(O[C@H]2O)C3CC1(C)C)O[C@@H]7O[C@@H]([C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O)[C@H]7O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)C(O)=O","spectrum_id":"CCMSLIB00000851002","spectrum_index":3328},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385344-01_C20H28O4_1-Naphthalenecarboxylic acid, 5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-","exact_mass":332.199,"inchikey":"FHQSDRHZGCMBKG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.208923,"smiles":"CC12CCCC(C)(C1CCC(=C)C2CC/C3=C/COC3=O)C(O)=O","spectrum_id":"CCMSLIB00000851005","spectrum_index":3329},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385345-01_C17H26O12_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6-dihydroxy-7-(hydroxymethyl)-, methyl ester, (1S,4aS,6R,7S,7aS)-","exact_mass":422.142,"inchikey":"JDBBFQGXBSMMHP-PHINXLAUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.153809,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](CO)[C@@H](O)C(O)[C@H]13","spectrum_id":"CCMSLIB00000851008","spectrum_index":3330},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385345-01_C17H26O12_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6-dihydroxy-7-(hydroxymethyl)-, methyl ester, (1S,4aS,6R,7S,7aS)-","exact_mass":422.142,"inchikey":"JDBBFQGXBSMMHP-PHINXLAUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.135895,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](CO)[C@@H](O)C(O)[C@H]13","spectrum_id":"CCMSLIB00000851011","spectrum_index":3331},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385346-01_C20H32O3_1-Naphthalenecarboxylic acid, decahydro-5-[(3Z)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-","exact_mass":320.235,"inchikey":"DOYKMKZYLAAOGH-UVTDQMKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.227631,"smiles":"CC(/CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C/CO","spectrum_id":"CCMSLIB00000851015","spectrum_index":3332},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385347-01_C21H30O4_1-Naphthalenecarboxylic acid, 5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, methyl ester","exact_mass":346.214,"inchikey":"WTKBZJAWPZXKJU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.225128,"smiles":"COC(=O)C1(C)CCCC2(C)C(CC/C3=C/COC3=O)C(=C)CCC12","spectrum_id":"CCMSLIB00000851018","spectrum_index":3333},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385347-01_C21H30O4_1-Naphthalenecarboxylic acid, 5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, methyl ester","exact_mass":346.214,"inchikey":"WTKBZJAWPZXKJU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.207184,"smiles":"COC(=O)C1(C)CCCC2(C)C(CC/C3=C/COC3=O)C(=C)CCC12","spectrum_id":"CCMSLIB00000851020","spectrum_index":3334},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169057-02_C17H26O11_Methyl (1S,4aS,5R,7S,7aS)-1-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":406.148,"inchikey":"KKSYAZCUYVRKML-IRDZEPHTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.158844,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@H](O)C[C@]3(C)O","spectrum_id":"CCMSLIB00000851023","spectrum_index":3335},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169057-02_C17H26O11_Methyl (1S,4aS,5R,7S,7aS)-1-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":406.148,"inchikey":"KKSYAZCUYVRKML-IRDZEPHTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.140656,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@H](O)C[C@]3(C)O","spectrum_id":"CCMSLIB00000851026","spectrum_index":3336},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179804-02_C42H66O14_Urs-12-ene-27,28-dioic acid, 3-[(6-deoxy-3-O-hexopyranosylhexopyranosyl)oxy]-, (3beta,5xi,9xi,18xi,19xi,20xi)-","exact_mass":794.445,"inchikey":"BZXXSUZFEIFGEX-RMRSBADTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":812.481445,"smiles":"CC1CC[C@@]2(CC[C@]3(C(O)=O)\\C(=C/CC4[C@@]5(C)CC[C@H](OC6OC(C)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CC[C@@]34C)C2C1C)C(O)=O","spectrum_id":"CCMSLIB00000851030","spectrum_index":3337},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179804-02_C42H66O14_Urs-12-ene-27,28-dioic acid, 3-[(6-deoxy-3-O-hexopyranosylhexopyranosyl)oxy]-, (3beta,5xi,9xi,18xi,19xi,20xi)-","exact_mass":794.445,"inchikey":"BZXXSUZFEIFGEX-RMRSBADTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":817.437012,"smiles":"CC1CC[C@@]2(CC[C@]3(C(O)=O)\\C(=C/CC4[C@@]5(C)CC[C@H](OC6OC(C)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CC[C@@]34C)C2C1C)C(O)=O","spectrum_id":"CCMSLIB00000851033","spectrum_index":3338},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385350-01_C20H26N2O2_(17R,21alpha)-Ajmalan-17,21-diol","exact_mass":326.199,"inchikey":"CJDRUOGAGYHKKD-GCDVTAQGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.209503,"smiles":"CC[C@@H]1[C@@H](O)N2C3CC1[C@@H]4[C@@H](O)[C@@]5(C[C@H]24)[C@H]3N(C)C6=C5C=CC=C6","spectrum_id":"CCMSLIB00000851035","spectrum_index":3339},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385357-01_C54H88O24_(3beta,5xi,9xi,13alpha,16alpha,18xi,22alpha)-3-{[beta-D-Glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl]oxy}-16,23-dihydroxy-13,28-epoxyoleanan-22-yl acetate","exact_mass":1120.57,"inchikey":"IYNDOZSSMGPGFK-ORVPDBCYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1121.570679,"smiles":"CC(=O)O[C@H]1CC(C)(C)CC2[C@]13CO[C@@]24CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]3O","spectrum_id":"CCMSLIB00000851040","spectrum_index":3340},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385357-01_C54H88O24_(3beta,5xi,9xi,13alpha,16alpha,18xi,22alpha)-3-{[beta-D-Glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl]oxy}-16,23-dihydroxy-13,28-epoxyoleanan-22-yl acetate","exact_mass":1120.57,"inchikey":"IYNDOZSSMGPGFK-ORVPDBCYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1143.554565,"smiles":"CC(=O)O[C@H]1CC(C)(C)CC2[C@]13CO[C@@]24CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]3O","spectrum_id":"CCMSLIB00000851041","spectrum_index":3341},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180255-02_C42H66O15_1-O-[(2alpha,3beta,5xi,9xi)-3-(Hexopyranuronosyloxy)-2-hydroxy-28-oxoolean-12-en-28-yl]hexopyranose","exact_mass":810.44,"inchikey":"GZNCPAASLBFTKY-BIOGTAEPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":828.470947,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)OC7OC(CO)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000851044","spectrum_index":3342},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180255-02_C42H66O15_1-O-[(2alpha,3beta,5xi,9xi)-3-(Hexopyranuronosyloxy)-2-hydroxy-28-oxoolean-12-en-28-yl]hexopyranose","exact_mass":810.44,"inchikey":"GZNCPAASLBFTKY-BIOGTAEPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":833.427917,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)OC7OC(CO)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000851047","spectrum_index":3343},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347404-02_C15H20O8_4-Acetyl-3-hydroxy-5-methylphenyl beta-D-glucopyranoside","exact_mass":328.116,"inchikey":"CFJLERBDXYGARW-TVKJYDDYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.124542,"smiles":"CC(=O)C1=C(C)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O","spectrum_id":"CCMSLIB00000851051","spectrum_index":3344},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347404-02_C15H20O8_4-Acetyl-3-hydroxy-5-methylphenyl beta-D-glucopyranoside","exact_mass":328.116,"inchikey":"CFJLERBDXYGARW-TVKJYDDYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.106415,"smiles":"CC(=O)C1=C(C)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O","spectrum_id":"CCMSLIB00000851053","spectrum_index":3345},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347420-02_C39H65NO12_15-Hydroxyspirosolan-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":739.451,"inchikey":"RNUHPRWYDXEBOM-FXCXTKEDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":740.458069,"smiles":"CC1CCC2(NC1)OC3C(O)C4C5CCC6CC(CCC6(C)C5CCC4(C)C3C2C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000851057","spectrum_index":3346},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380712-01_C19H18O6_1,3-Cyclobutanedicarboxylic acid, 2,4-bis(4-hydroxyphenyl)-, monomethyl ester","exact_mass":342.11,"inchikey":"WDMUSPSWMAOXCK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.118835,"smiles":"COC(=O)C1C(C(C1C2=CC=C(O)C=C2)C(O)=O)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000851059","spectrum_index":3347},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380712-01_C19H18O6_1,3-Cyclobutanedicarboxylic acid, 2,4-bis(4-hydroxyphenyl)-, monomethyl ester","exact_mass":342.11,"inchikey":"WDMUSPSWMAOXCK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":360.145264,"smiles":"COC(=O)C1C(C(C1C2=CC=C(O)C=C2)C(O)=O)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000851062","spectrum_index":3348},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380713-01_C21H35NO6S_Cysteine, S-[(6E,9E)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxooxacyclotetradeca-6,9-dien-4-yl]-","exact_mass":429.219,"inchikey":"XBLHNZRXAORYAC-ZBKBUWSTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":430.226898,"smiles":"COC\\1/C=C/C(C)(O)C(CC(=O)OC(C)C(C)CC/C=C1C)SCC(N)C(O)=O","spectrum_id":"CCMSLIB00000851066","spectrum_index":3349},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380713-01_C21H35NO6S_Cysteine, S-[(6E,9E)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxooxacyclotetradeca-6,9-dien-4-yl]-","exact_mass":429.219,"inchikey":"XBLHNZRXAORYAC-ZBKBUWSTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":412.216431,"smiles":"COC\\1/C=C/C(C)(O)C(CC(=O)OC(C)C(C)CC/C=C1C)SCC(N)C(O)=O","spectrum_id":"CCMSLIB00000851068","spectrum_index":3350},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380714-01_C20H22O9_3,5-Dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl pentofuranoside","exact_mass":406.126,"inchikey":"XWFQRXGYJJOFCO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.135132,"smiles":"OCC1OC(OC2=CC(=C3CC(O)C(OC3=C2)C4=CC=C(O)C=C4)O)C(O)C1O","spectrum_id":"CCMSLIB00000851071","spectrum_index":3351},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380715-01_C27H38O8_9-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl 2-methylbutanoate","exact_mass":490.257,"inchikey":"LJNNQVFOVQWDMN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":491.264862,"smiles":"CCC(C)C(=O)OC12C(OC(C)=O)C(C)C3(O)C(\\C=C(CO)/CC4(O)C3\\C=C(C)/C4=O)C1C2(C)C","spectrum_id":"CCMSLIB00000851074","spectrum_index":3352},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169436-02_C17H17NO3_Phenylalanine, N-benzoyl-, methyl ester","exact_mass":283.121,"inchikey":"BRQQPHKRRCUYLA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.129578,"smiles":"COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2","spectrum_id":"CCMSLIB00000851077","spectrum_index":3353},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169436-02_C17H17NO3_Phenylalanine, N-benzoyl-, methyl ester","exact_mass":283.121,"inchikey":"BRQQPHKRRCUYLA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":306.111603,"smiles":"COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2","spectrum_id":"CCMSLIB00000851080","spectrum_index":3354},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169472-02_C11H10N2O2_Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-3-hydroxy-","exact_mass":202.074,"inchikey":"SDIVYZXRQHWCKF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":203.082581,"smiles":"OC\\1CCN2C(=O)C3=C(C=CC=C3)/N=C12","spectrum_id":"CCMSLIB00000851083","spectrum_index":3355},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169472-02_C11H10N2O2_Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-3-hydroxy-","exact_mass":202.074,"inchikey":"SDIVYZXRQHWCKF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":185.071365,"smiles":"OC\\1CCN2C(=O)C3=C(C=CC=C3)/N=C12","spectrum_id":"CCMSLIB00000851087","spectrum_index":3356},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169472-02_C11H10N2O2_Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-3-hydroxy-","exact_mass":202.074,"inchikey":"SDIVYZXRQHWCKF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":225.064575,"smiles":"OC\\1CCN2C(=O)C3=C(C=CC=C3)/N=C12","spectrum_id":"CCMSLIB00000851089","spectrum_index":3357},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380687-01_C54H86O22_(3beta,5xi,9xi)-3-{[3-O-Acetyl-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid","exact_mass":1086.56,"inchikey":"VKJTXCWIQDBMLE-AYZKRIIASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1087.563599,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7[C@@H]8CC(C)(C)CC[C@@]8(CC[C@@]67C)C(O)=O)[C@]4(C)CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](OC(C)=O)[C@H]9O","spectrum_id":"CCMSLIB00000851093","spectrum_index":3358},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380687-01_C54H86O22_(3beta,5xi,9xi)-3-{[3-O-Acetyl-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid","exact_mass":1086.56,"inchikey":"VKJTXCWIQDBMLE-AYZKRIIASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1109.544556,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7[C@@H]8CC(C)(C)CC[C@@]8(CC[C@@]67C)C(O)=O)[C@]4(C)CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](OC(C)=O)[C@H]9O","spectrum_id":"CCMSLIB00000851095","spectrum_index":3359},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380688-01_C13H16O4_1-[3-Hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]ethanone","exact_mass":236.105,"inchikey":"XFIALOBGPJCAMB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.112778,"smiles":"CC(=O)C1=CC=C2OC(C(O)C2=C1)C(C)(C)O","spectrum_id":"CCMSLIB00000851098","spectrum_index":3360},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380690-01_C22H22O11_beta-D-Glucopyranose, 6-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-, 1-(3,4,5-trihydroxybenzoate)","exact_mass":462.116,"inchikey":"REBRERQNUHGTMS-PCGJYRBUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":480.151672,"smiles":"O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@@H](OC(=O)C3=CC(=C(O)C(=C3)O)O)[C@@H]1O","spectrum_id":"CCMSLIB00000851101","spectrum_index":3361},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380690-01_C22H22O11_beta-D-Glucopyranose, 6-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-, 1-(3,4,5-trihydroxybenzoate)","exact_mass":462.116,"inchikey":"REBRERQNUHGTMS-PCGJYRBUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.106598,"smiles":"O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@@H](OC(=O)C3=CC(=C(O)C(=C3)O)O)[C@@H]1O","spectrum_id":"CCMSLIB00000851105","spectrum_index":3362},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380697-01_C19H20O6_(3R,5S,7'R)-5-(3-Furyl)-3'-hydroxy-7'-methyl-3',4,5,5',5a',7',8',8a'-octahydrospiro[furan-3,6'-naphtho[1,8-bc]furan]-2,2'(4'H)-dione","exact_mass":344.126,"inchikey":"HUIHUOGNNSDDIV-SQCMMLCKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.134521,"smiles":"C[C@@H]1CC2OC(=O)C/3=C2/C(CCC3O)[C@@]14C[C@H](OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000851108","spectrum_index":3363},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380697-01_C19H20O6_(3R,5S,7'R)-5-(3-Furyl)-3'-hydroxy-7'-methyl-3',4,5,5',5a',7',8',8a'-octahydrospiro[furan-3,6'-naphtho[1,8-bc]furan]-2,2'(4'H)-dione","exact_mass":344.126,"inchikey":"HUIHUOGNNSDDIV-SQCMMLCKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.123962,"smiles":"C[C@@H]1CC2OC(=O)C/3=C2/C(CCC3O)[C@@]14C[C@H](OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000851111","spectrum_index":3364},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380698-01_C24H30O13_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-oxo-, 2-(3,4-dihydroxyphenyl)ethyl ester, (1S,4aR,7aR)-","exact_mass":526.169,"inchikey":"KQBFNIVRWYGXRN-QJMXJWGSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":527.176392,"smiles":"CC1CC(=O)[C@@]\\2(O)[C@@H]1[C@@H](O\\C=C2C(=O)OCCC3=CC(=C(O)C=C3)O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000851113","spectrum_index":3365},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380698-01_C24H30O13_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-oxo-, 2-(3,4-dihydroxyphenyl)ethyl ester, (1S,4aR,7aR)-","exact_mass":526.169,"inchikey":"KQBFNIVRWYGXRN-QJMXJWGSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":544.202942,"smiles":"CC1CC(=O)[C@@]\\2(O)[C@@H]1[C@@H](O\\C=C2C(=O)OCCC3=CC(=C(O)C=C3)O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000851116","spectrum_index":3366},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168922-02_C21H32O4_1-Naphthalenecarboxylic acid, decahydro-5-[(3E)-5-methoxy-3-methyl-5-oxo-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1S,4aR,5S)-","exact_mass":348.23,"inchikey":"AKIRMBMADXTLAC-BMXXHOQXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.240417,"smiles":"COC(=O)\\C=C(/C)CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O","spectrum_id":"CCMSLIB00000851119","spectrum_index":3367},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168922-02_C21H32O4_1-Naphthalenecarboxylic acid, decahydro-5-[(3E)-5-methoxy-3-methyl-5-oxo-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1S,4aR,5S)-","exact_mass":348.23,"inchikey":"AKIRMBMADXTLAC-BMXXHOQXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.26709,"smiles":"COC(=O)\\C=C(/C)CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O","spectrum_id":"CCMSLIB00000851122","spectrum_index":3368},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169355-02_C28H37NO8_Pentanedioic acid, 2-[(6'S,8a'S)-3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-6-oxospiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-7(3H)-yl]-","exact_mass":515.252,"inchikey":"QZGOQORSUIQVIR-CDTKZNFUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":516.262939,"smiles":"CC1CCC2C(C)(C)[C@@H](O)CC[C@]2(C)C13CC4=C(O)C=C5C(=O)N(CC5=C4O3)C(CCC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000851125","spectrum_index":3369},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169355-02_C28H37NO8_Pentanedioic acid, 2-[(6'S,8a'S)-3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-6-oxospiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-7(3H)-yl]-","exact_mass":515.252,"inchikey":"QZGOQORSUIQVIR-CDTKZNFUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":498.250244,"smiles":"CC1CCC2C(C)(C)[C@@H](O)CC[C@]2(C)C13CC4=C(O)C=C5C(=O)N(CC5=C4O3)C(CCC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000851128","spectrum_index":3370},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180843-03_C25H36O12_2,7-Octadienoic acid, 6-hydroxy-2,6-dimethyl-, (1aR,1bS,2S,5aS,6R,6aS)-2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a-hydroxy-1a-methyloxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, (2E,6S)-","exact_mass":528.221,"inchikey":"PRWWZXHOHQRKDQ-SVDQWWJBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":511.220886,"smiles":"C\\C(=C/CC[C@](C)(O)C=C)C(=O)O[C@@H]1[C@@H]2O[C@]2(C)[C@H]3[C@@H](O\\C=C/[C@@]13O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000851131","spectrum_index":3371},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180843-03_C25H36O12_2,7-Octadienoic acid, 6-hydroxy-2,6-dimethyl-, (1aR,1bS,2S,5aS,6R,6aS)-2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a-hydroxy-1a-methyloxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, (2E,6S)-","exact_mass":528.221,"inchikey":"PRWWZXHOHQRKDQ-SVDQWWJBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.212952,"smiles":"C\\C(=C/CC[C@](C)(O)C=C)C(=O)O[C@@H]1[C@@H]2O[C@]2(C)[C@H]3[C@@H](O\\C=C/[C@@]13O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000851134","spectrum_index":3372},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385405-01_C26H30O9_","exact_mass":486.189,"inchikey":"SSYUWECTPJGUGD-BNFZFUHLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.199677,"smiles":"CC/C=C/C=C/C1(C)O\\C(=C(C(=O)C2C(C)C(=O)C3=CC(=C(O)C(=C3C2(C)O)O)OC)/C1=O)OC","spectrum_id":"CCMSLIB00000851137","spectrum_index":3373},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385405-01_C26H30O9_","exact_mass":486.189,"inchikey":"SSYUWECTPJGUGD-BNFZFUHLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.188995,"smiles":"CC/C=C/C=C/C1(C)O\\C(=C(C(=O)C2C(C)C(=O)C3=CC(=C(O)C(=C3C2(C)O)O)OC)/C1=O)OC","spectrum_id":"CCMSLIB00000851141","spectrum_index":3374},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385405-01_C26H30O9_","exact_mass":486.189,"inchikey":"SSYUWECTPJGUGD-BNFZFUHLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":509.18161,"smiles":"CC/C=C/C=C/C1(C)O\\C(=C(C(=O)C2C(C)C(=O)C3=CC(=C(O)C(=C3C2(C)O)O)OC)/C1=O)OC","spectrum_id":"CCMSLIB00000851143","spectrum_index":3375},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385407-01_C13H13N3O4_","exact_mass":275.091,"inchikey":"DOCCRJVKOCRZSY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.100128,"smiles":"CC(NC(=O)CC(O)=O)C/1=N/C2=CC=CC=C2C(=O)N1","spectrum_id":"CCMSLIB00000851146","spectrum_index":3376},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385408-01_C17H17N5O2_3-(1H-Imidazol-4-ylmethyl)-6-(1H-indol-3-ylmethyl)-2,5-piperazinedione","exact_mass":323.138,"inchikey":"YNHVZXATNGMVNC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":324.148193,"smiles":"O=C1NC(CC2=C[NH]C3=CC=CC=C23)C(=O)NC1CC4=CN=C[NH]4","spectrum_id":"CCMSLIB00000851149","spectrum_index":3377},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385471-01_C20H21NO6_6'-Methoxy-2'-methyl-3',4',6,8-tetrahydro-2'H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinoline]-7',8-diol 2'-oxide","exact_mass":371.137,"inchikey":"GIGLNPLPIFRSFH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":372.147278,"smiles":"COC1=C(O)C=C2C(=C1)CC[N+](C)([O-])C23CC4=C(C3O)C5=C(OCO5)C=C4","spectrum_id":"CCMSLIB00000851152","spectrum_index":3378},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385471-01_C20H21NO6_6'-Methoxy-2'-methyl-3',4',6,8-tetrahydro-2'H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinoline]-7',8-diol 2'-oxide","exact_mass":371.137,"inchikey":"GIGLNPLPIFRSFH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":354.136383,"smiles":"COC1=C(O)C=C2C(=C1)CC[N+](C)([O-])C23CC4=C(C3O)C5=C(OCO5)C=C4","spectrum_id":"CCMSLIB00000851155","spectrum_index":3379},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169103-03_C19H18O6_Benz[3,4]anthra[1,2-b]oxirene-5,6-dione, 1a,2,3,4,5b,11,11a,11b-octahydro-10,11,11a-trihydroxy-3-methyl-","exact_mass":342.11,"inchikey":"KALVKBCVJGXOKE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.120209,"smiles":"CC1CC(=O)\\C2=C(/C1)C3OC3C4(O)C(O)C5=C(C=CC=C5O)C(=O)C24","spectrum_id":"CCMSLIB00000851158","spectrum_index":3380},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169103-03_C19H18O6_Benz[3,4]anthra[1,2-b]oxirene-5,6-dione, 1a,2,3,4,5b,11,11a,11b-octahydro-10,11,11a-trihydroxy-3-methyl-","exact_mass":342.11,"inchikey":"KALVKBCVJGXOKE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.109467,"smiles":"CC1CC(=O)\\C2=C(/C1)C3OC3C4(O)C(O)C5=C(C=CC=C5O)C(=O)C24","spectrum_id":"CCMSLIB00000851161","spectrum_index":3381},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169103-03_C19H18O6_Benz[3,4]anthra[1,2-b]oxirene-5,6-dione, 1a,2,3,4,5b,11,11a,11b-octahydro-10,11,11a-trihydroxy-3-methyl-","exact_mass":342.11,"inchikey":"KALVKBCVJGXOKE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.102295,"smiles":"CC1CC(=O)\\C2=C(/C1)C3OC3C4(O)C(O)C5=C(C=CC=C5O)C(=O)C24","spectrum_id":"CCMSLIB00000851164","spectrum_index":3382},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169691-02_C15H22O8_(1S,4aR,7aS)-7-(Hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside","exact_mass":330.131,"inchikey":"FCHJZJFIDNMNBS-CLBXSRGTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.130737,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3C\\C=C(\\CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851167","spectrum_index":3383},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169691-02_C15H22O8_(1S,4aR,7aS)-7-(Hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside","exact_mass":330.131,"inchikey":"FCHJZJFIDNMNBS-CLBXSRGTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.123657,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3C\\C=C(\\CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851170","spectrum_index":3384},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347379-02_C46H74O16_Olean-12-en-28-oic acid, 23-hydroxy-3-[[O-beta-D-xylopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy]-, (3beta,5xi,9xi)-","exact_mass":882.498,"inchikey":"IAGSHEHQJJTLLR-SAOPYPMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":883.507141,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4C\\C=C6\\[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(O)=O)[C@]3(C)CO)[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]1O","spectrum_id":"CCMSLIB00000851173","spectrum_index":3385},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380833-01_C20H28O5_Gibbane-1,10-dicarboxylic acid, 2-hydroxy-1,4a-dimethyl-8-methylene-, (1alpha,2beta,4aalpha,4bbeta,10beta)-","exact_mass":348.194,"inchikey":"NJEWNTGSXKRWKA-MJPABCAUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.203888,"smiles":"C[C@@]12CC[C@H](O)[C@](C)([C@H]1[C@H](C(O)=O)[C@@]34C[C@@H](CC[C@@H]23)C(=C)C4)C(O)=O","spectrum_id":"CCMSLIB00000851176","spectrum_index":3386},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380833-01_C20H28O5_Gibbane-1,10-dicarboxylic acid, 2-hydroxy-1,4a-dimethyl-8-methylene-, (1alpha,2beta,4aalpha,4bbeta,10beta)-","exact_mass":348.194,"inchikey":"NJEWNTGSXKRWKA-MJPABCAUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.192596,"smiles":"C[C@@]12CC[C@H](O)[C@](C)([C@H]1[C@H](C(O)=O)[C@@]34C[C@@H](CC[C@@H]23)C(=C)C4)C(O)=O","spectrum_id":"CCMSLIB00000851180","spectrum_index":3387},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380836-01_C19H22O6_(1R,2R,4S,5R,8R,9S,10R,11S,12S)-4,12-Dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1~5,8~.0~1,10~.0~2,8~]heptadec-13-ene-9-carboxylic acid","exact_mass":346.142,"inchikey":"XRIRDTGIFOWQDB-CCGADRJDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.178772,"smiles":"C[C@]12[C@@H](O)\\C=C/[C@@]3(OC1=O)[C@@H]4C[C@H](O)[C@@H]5C[C@]4(CC5=C)[C@H]([C@H]23)C(O)=O","spectrum_id":"CCMSLIB00000851182","spectrum_index":3388},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380837-01_C18H27NO5_","exact_mass":337.189,"inchikey":"ZCEYUYRVYFKPRM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":338.199097,"smiles":"CC(C)(O)CC(CO)NC(=O)CC(O)CC(=O)CC1=CC=CC=C1","spectrum_id":"CCMSLIB00000851185","spectrum_index":3389},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380837-01_C18H27NO5_","exact_mass":337.189,"inchikey":"ZCEYUYRVYFKPRM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.188141,"smiles":"CC(C)(O)CC(CO)NC(=O)CC(O)CC(=O)CC1=CC=CC=C1","spectrum_id":"CCMSLIB00000851188","spectrum_index":3390},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380837-01_C18H27NO5_","exact_mass":337.189,"inchikey":"ZCEYUYRVYFKPRM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":360.181,"smiles":"CC(C)(O)CC(CO)NC(=O)CC(O)CC(=O)CC1=CC=CC=C1","spectrum_id":"CCMSLIB00000851193","spectrum_index":3391},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380840-01_C15H19NO3_4-Methoxy-5-methyl-6-[(3-methyl-2-buten-1-yl)oxy]-1-isoindolinone","exact_mass":261.137,"inchikey":"DSOITGJEUKHAJN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":262.145966,"smiles":"COC1=C2CNC(=O)C2=CC(=C1C)OCC=C(C)C","spectrum_id":"CCMSLIB00000851195","spectrum_index":3392},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380842-01_C42H54O25_3-{5-(3,4-Dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-[(6-O-{3-[5-(3,4-dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-(beta-D-glucopyranosyloxy)-4-methoxyphenyl]propanoyl}-beta-D-glucopyranosyl)oxy]-4-methoxyphenyl}propanoic acid","exact_mass":958.295,"inchikey":"HPDJFHJDZYIBCP-GFZBMPBCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":959.303345,"smiles":"COC1=CC(=C(CCC(O)=O)C=C1C2OC(=O)C(C)(O)C2O)O[C@@H]3O[C@H](COC(=O)CCC4=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C(OC)C(=C4)C6OC(=O)C(C)(O)C6O)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000851198","spectrum_index":3393},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380842-01_C42H54O25_3-{5-(3,4-Dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-[(6-O-{3-[5-(3,4-dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-(beta-D-glucopyranosyloxy)-4-methoxyphenyl]propanoyl}-beta-D-glucopyranosyl)oxy]-4-methoxyphenyl}propanoic acid","exact_mass":958.295,"inchikey":"HPDJFHJDZYIBCP-GFZBMPBCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":976.328369,"smiles":"COC1=CC(=C(CCC(O)=O)C=C1C2OC(=O)C(C)(O)C2O)O[C@@H]3O[C@H](COC(=O)CCC4=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C(OC)C(=C4)C6OC(=O)C(C)(O)C6O)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000851201","spectrum_index":3394},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380842-01_C42H54O25_3-{5-(3,4-Dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-[(6-O-{3-[5-(3,4-dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-(beta-D-glucopyranosyloxy)-4-methoxyphenyl]propanoyl}-beta-D-glucopyranosyl)oxy]-4-methoxyphenyl}propanoic acid","exact_mass":958.295,"inchikey":"HPDJFHJDZYIBCP-GFZBMPBCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":981.284363,"smiles":"COC1=CC(=C(CCC(O)=O)C=C1C2OC(=O)C(C)(O)C2O)O[C@@H]3O[C@H](COC(=O)CCC4=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C(OC)C(=C4)C6OC(=O)C(C)(O)C6O)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000851203","spectrum_index":3395},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169782-02_C15H22O2_(2E)-5-(2,3-Dimethyltricyclo[2.2.1.0~2,6~]hept-3-yl)-2-methyl-2-pentenoic acid","exact_mass":234.162,"inchikey":"NZSCHTYUGUVLHG-WEVVVXLNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.17099,"smiles":"C\\C(=C/CCC1(C)C2CC3C(C2)C13C)C(O)=O","spectrum_id":"CCMSLIB00000851207","spectrum_index":3396},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179780-02_C20H32O_(5xi,9xi)-Beyer-15-en-18-ol","exact_mass":288.245,"inchikey":"CIGQQQTZOIDQQR-SGWMQEFOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.254608,"smiles":"C[C@]1\\2CCC3[C@]4(C)CCC[C@@](C)(CO)C4CC[C@@]3(C1)\\C=C2","spectrum_id":"CCMSLIB00000851210","spectrum_index":3397},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179780-02_C20H32O_(5xi,9xi)-Beyer-15-en-18-ol","exact_mass":288.245,"inchikey":"CIGQQQTZOIDQQR-SGWMQEFOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.243774,"smiles":"C[C@]1\\2CCC3[C@]4(C)CCC[C@@](C)(CO)C4CC[C@@]3(C1)\\C=C2","spectrum_id":"CCMSLIB00000851214","spectrum_index":3398},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179780-02_C20H32O_(5xi,9xi)-Beyer-15-en-18-ol","exact_mass":288.245,"inchikey":"CIGQQQTZOIDQQR-SGWMQEFOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.209442,"smiles":"C[C@]1\\2CCC3[C@]4(C)CCC[C@@](C)(CO)C4CC[C@@]3(C1)\\C=C2","spectrum_id":"CCMSLIB00000851216","spectrum_index":3399},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180707-03_C20H32O2_1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4-[(3R)-3-hydroxy-3-methyl-4-penten-1-yl]-3,4a,8,8-tetramethyl-, (4S,4aR,8aS)-","exact_mass":304.24,"inchikey":"SGKBPTZDIUXCMW-LWCVALJOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.249878,"smiles":"C\\C1=C\\C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C","spectrum_id":"CCMSLIB00000851218","spectrum_index":3400},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180707-03_C20H32O2_1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4-[(3R)-3-hydroxy-3-methyl-4-penten-1-yl]-3,4a,8,8-tetramethyl-, (4S,4aR,8aS)-","exact_mass":304.24,"inchikey":"SGKBPTZDIUXCMW-LWCVALJOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.238861,"smiles":"C\\C1=C\\C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C","spectrum_id":"CCMSLIB00000851222","spectrum_index":3401},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180707-03_C20H32O2_1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4-[(3R)-3-hydroxy-3-methyl-4-penten-1-yl]-3,4a,8,8-tetramethyl-, (4S,4aR,8aS)-","exact_mass":304.24,"inchikey":"SGKBPTZDIUXCMW-LWCVALJOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.232269,"smiles":"C\\C1=C\\C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C","spectrum_id":"CCMSLIB00000851225","spectrum_index":3402},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385920-01_C20H22N2O2_2H-2,7a-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester, (3Z)-","exact_mass":322.168,"inchikey":"LITYYRLWHAQJQS-HTPSJYFDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.178009,"smiles":"COC(=O)[C@@H]1[C@H]\\2C[C@@H]3N(CC[C@@]14\\C3=N/C5=CC=CC=C45)CC2=C/C","spectrum_id":"CCMSLIB00000851229","spectrum_index":3403},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385921-01_C15H22O3_3a-Hydroxy-3,5a,9-trimethyl-3a,4,5,5a,6,7,8,9b-octahydronaphtho[1,2-b]furan-2(3H)-one","exact_mass":250.157,"inchikey":"JJTIUYSMVWORIT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.166092,"smiles":"CC1C(=O)OC2C/3=C(C)/CCCC3(C)CCC12O","spectrum_id":"CCMSLIB00000851230","spectrum_index":3404},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385921-01_C15H22O3_3a-Hydroxy-3,5a,9-trimethyl-3a,4,5,5a,6,7,8,9b-octahydronaphtho[1,2-b]furan-2(3H)-one","exact_mass":250.157,"inchikey":"JJTIUYSMVWORIT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.155228,"smiles":"CC1C(=O)OC2C/3=C(C)/CCCC3(C)CCC12O","spectrum_id":"CCMSLIB00000851233","spectrum_index":3405},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385922-01_C15H20O3_(2R,5S,9R,12R)-13,13-Dimethyl-7-oxatetracyclo[7.5.0.0~1,5~.0~2,12~]tetradecane-4,8-dione","exact_mass":248.141,"inchikey":"BBIDMUQZCCGABN-LLIBVQEBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.150574,"smiles":"CC1(C)CC23[C@@H]4CC(=O)[C@@H]2COC(=O)[C@@H]3CC[C@@H]14","spectrum_id":"CCMSLIB00000851236","spectrum_index":3406},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385923-01_C15H22O4_2-[(1E,3E)-1,3-Hexadien-1-yl]-5-(3-hydroxy-2-methoxypropyl)-2-methyl-3(2H)-furanone","exact_mass":266.152,"inchikey":"FIVNBWKMIJROKK-BSWSSELBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.161255,"smiles":"CC/C=C/C=C/C1(C)O\\C(=C/C1=O)CC(CO)OC","spectrum_id":"CCMSLIB00000851239","spectrum_index":3407},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385923-01_C15H22O4_2-[(1E,3E)-1,3-Hexadien-1-yl]-5-(3-hydroxy-2-methoxypropyl)-2-methyl-3(2H)-furanone","exact_mass":266.152,"inchikey":"FIVNBWKMIJROKK-BSWSSELBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.150284,"smiles":"CC/C=C/C=C/C1(C)O\\C(=C/C1=O)CC(CO)OC","spectrum_id":"CCMSLIB00000851243","spectrum_index":3408},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385924-01_C15H18O4_(3aS,10aR,10bR)-6,10a-Dimethyl-3-methylene-3,3a,4,5,7,8,10a,10b-octahydrofuro[3',2':6,7]cyclohepta[1,2-b]pyran-2,9-dione","exact_mass":262.121,"inchikey":"IOGFBFUSBVLQMS-PSOPSSQASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.129486,"smiles":"CC/1=C/2CCC(=O)O[C@@]2(C)[C@@H]3OC(=O)C(=C)[C@@H]3CC1","spectrum_id":"CCMSLIB00000851245","spectrum_index":3409},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180405-03_C25H30O13_2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, (2E)-","exact_mass":538.169,"inchikey":"RMSKZOXJAHOIER-GGKKSNITSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":556.203369,"smiles":"COC1=C(O)C=CC(=C1)\\C=C\\C(=O)O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25","spectrum_id":"CCMSLIB00000851249","spectrum_index":3410},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180405-03_C25H30O13_2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, (2E)-","exact_mass":538.169,"inchikey":"RMSKZOXJAHOIER-GGKKSNITSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.159302,"smiles":"COC1=C(O)C=CC(=C1)\\C=C\\C(=O)O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25","spectrum_id":"CCMSLIB00000851252","spectrum_index":3411},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180650-02_C15H24O3_1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-, (4R,4aS,8aS)-","exact_mass":252.173,"inchikey":"CKASNEFFHUIZEG-AEGPPILISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.181137,"smiles":"C\\C1=C\\C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO","spectrum_id":"CCMSLIB00000851254","spectrum_index":3412},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347828-02_C24H37NO5_(7E)-11,12,13-Trihydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","exact_mass":419.267,"inchikey":"PLGNVFSTPJUFKJ-UKTHLTGXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":420.276611,"smiles":"CC(C)CC1NC(=O)C23C(/C=C(\\C)CCC(O)C(O)C(O)CC2=O)\\C=C(C)/C(C)C13","spectrum_id":"CCMSLIB00000851258","spectrum_index":3413},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347828-02_C24H37NO5_(7E)-11,12,13-Trihydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","exact_mass":419.267,"inchikey":"PLGNVFSTPJUFKJ-UKTHLTGXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.265839,"smiles":"CC(C)CC1NC(=O)C23C(/C=C(\\C)CCC(O)C(O)C(O)CC2=O)\\C=C(C)/C(C)C13","spectrum_id":"CCMSLIB00000851261","spectrum_index":3414},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347828-02_C24H37NO5_(7E)-11,12,13-Trihydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","exact_mass":419.267,"inchikey":"PLGNVFSTPJUFKJ-UKTHLTGXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":442.258331,"smiles":"CC(C)CC1NC(=O)C23C(/C=C(\\C)CCC(O)C(O)C(O)CC2=O)\\C=C(C)/C(C)C13","spectrum_id":"CCMSLIB00000851264","spectrum_index":3415},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380626-01_C12H18O4_2-Cyclohexen-1-one, 4,6-dihydroxy-3-[(1E)-3-hydroxy-3-methyl-1-buten-1-yl]-6-methyl-, (4R,6S)-","exact_mass":226.121,"inchikey":"MQTHRHQDRZPYGH-DMKSKQPMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":209.118546,"smiles":"CC(C)(O)/C=C/C1=C/C(=O)[C@@](C)(O)C[C@H]1O","spectrum_id":"CCMSLIB00000851266","spectrum_index":3416},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380626-01_C12H18O4_2-Cyclohexen-1-one, 4,6-dihydroxy-3-[(1E)-3-hydroxy-3-methyl-1-buten-1-yl]-6-methyl-, (4R,6S)-","exact_mass":226.121,"inchikey":"MQTHRHQDRZPYGH-DMKSKQPMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.111404,"smiles":"CC(C)(O)/C=C/C1=C/C(=O)[C@@](C)(O)C[C@H]1O","spectrum_id":"CCMSLIB00000851269","spectrum_index":3417},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380627-01_C22H26O7_6-Hydroxy-7-methyl-8-oxo-3-propyl-5,6,7,8-tetrahydro-1H-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoate","exact_mass":402.168,"inchikey":"MXJRGHQPKCPBAN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.177277,"smiles":"CCCC/1=C/C2=C(CO1)/C(=O)C(C)(OC(=O)C3=C(O)C=C(OC)C=C3C)C(O)C2","spectrum_id":"CCMSLIB00000851274","spectrum_index":3418},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380627-01_C22H26O7_6-Hydroxy-7-methyl-8-oxo-3-propyl-5,6,7,8-tetrahydro-1H-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoate","exact_mass":402.168,"inchikey":"MXJRGHQPKCPBAN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.158997,"smiles":"CCCC/1=C/C2=C(CO1)/C(=O)C(C)(OC(=O)C3=C(O)C=C(OC)C=C3C)C(O)C2","spectrum_id":"CCMSLIB00000851276","spectrum_index":3419},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380693-01_C25H35NO6_3-[4-({2-[(2E)-2-Buten-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}carbonyl)-3-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-hydroxy-2-methylpropanoic acid","exact_mass":445.246,"inchikey":"ZLIYAXUPOBJNFP-AWNIVKPZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":446.25589,"smiles":"C/C=C(C)/C1/C=C\\C2CC(C)CC(C)C2C1C(=O)/C3=C(O)/C(CC(C)(O)C(O)=O)NC3=O","spectrum_id":"CCMSLIB00000851278","spectrum_index":3420},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380693-01_C25H35NO6_3-[4-({2-[(2E)-2-Buten-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}carbonyl)-3-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-hydroxy-2-methylpropanoic acid","exact_mass":445.246,"inchikey":"ZLIYAXUPOBJNFP-AWNIVKPZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":428.245575,"smiles":"C/C=C(C)/C1/C=C\\C2CC(C)CC(C)C2C1C(=O)/C3=C(O)/C(CC(C)(O)C(O)=O)NC3=O","spectrum_id":"CCMSLIB00000851281","spectrum_index":3421},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380694-01_C37H44ClNO6_(2aS,2bR,3aS,3bS,6S,6dR,7S,8aR,13bS,13cR,15aS,16aS)-11-Chloro-1,1,13b,13c,17,17-hexamethyl-9-methylene-1,2a,2b,5,5a,6,7,8,8a,9,10,13,13b,13c,14,15,15a,16a-octadecahydro-3bH-6,7-(epoxymethano)cyclobuta[5,6]benzo[1,2-e]oxeto[3'',2'':2',3']oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3b,6d(4H)-diol","exact_mass":633.286,"inchikey":"HYLKKEXCEIKCIN-BEMGVBBQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":634.293884,"smiles":"CC1(C)O[C@H]2C3CC[C@]4(O)[C@](C)(CC[C@@H]5O[C@H]6[C@H](OC6(C)C)[C@H]7O[C@@]457)[C@@]3(C)C8=C2C9=C%10C(=C(Cl)C=C9[NH]8)CC(=C)[C@H]%11C[C@H]1[C@@]%10%11O","spectrum_id":"CCMSLIB00000851284","spectrum_index":3422},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380749-01_C30H32O12_{(1R,2S,3R,5R,6R,8S)-3-[(6-O-Benzoyl-beta-D-glucopyranosyl)oxy]-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0~2,5~.0~3,8~]dec-2-yl}methyl benzoate","exact_mass":584.189,"inchikey":"LATYEZNGPQKAIK-BPNOJRQNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":585.19812,"smiles":"C[C@@]12C[C@]3(O)O[C@H](O1)[C@]4(COC(=O)C5=CC=CC=C5)[C@H]3C[C@]24O[C@@H]6O[C@H](COC(=O)C7=CC=CC=C7)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000851288","spectrum_index":3423},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380749-01_C30H32O12_{(1R,2S,3R,5R,6R,8S)-3-[(6-O-Benzoyl-beta-D-glucopyranosyl)oxy]-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0~2,5~.0~3,8~]dec-2-yl}methyl benzoate","exact_mass":584.189,"inchikey":"LATYEZNGPQKAIK-BPNOJRQNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":567.1875,"smiles":"C[C@@]12C[C@]3(O)O[C@H](O1)[C@]4(COC(=O)C5=CC=CC=C5)[C@H]3C[C@]24O[C@@H]6O[C@H](COC(=O)C7=CC=CC=C7)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000851290","spectrum_index":3424},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380749-01_C30H32O12_{(1R,2S,3R,5R,6R,8S)-3-[(6-O-Benzoyl-beta-D-glucopyranosyl)oxy]-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0~2,5~.0~3,8~]dec-2-yl}methyl benzoate","exact_mass":584.189,"inchikey":"LATYEZNGPQKAIK-BPNOJRQNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":607.179932,"smiles":"C[C@@]12C[C@]3(O)O[C@H](O1)[C@]4(COC(=O)C5=CC=CC=C5)[C@H]3C[C@]24O[C@@H]6O[C@H](COC(=O)C7=CC=CC=C7)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000851294","spectrum_index":3425},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385538-01_C35H44O13_(1R,2R,3R,4S,5S,7R,8R,9R,10S,14R)-1,8,16-Triacetoxy-2-(glycoloyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0~3,7~.0~10,14~]hexadec-4-yl benzoate","exact_mass":672.278,"inchikey":"XIZUZZXWYLTRAC-BSCNZNARSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":655.270813,"smiles":"C[C@H]1C[C@]2(O)[C@H](OC(C)=O)[C@@]3(C)[C@H]4CC(C)(C)C(=O)[C@@H]4C[C@@](OC(C)=O)([C@H](OC(=O)CO)[C@H]2[C@H]1OC(=O)C5=CC=CC=C5)[C@@H]3OC(C)=O","spectrum_id":"CCMSLIB00000851296","spectrum_index":3426},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385544-01_C21H26O6_(2S,3R,3aS,7aR)-5-Allyl-2-(4-hydroxy-3-methoxyphenyl)-3a,7a-dimethoxy-3-methyl-3,3a,7,7a-tetrahydro-1-benzofuran-6(2H)-one","exact_mass":374.173,"inchikey":"ZJCOLWRTVHBIBE-MZNUGIIHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.183014,"smiles":"COC1=CC(=CC=C1O)[C@H]2O[C@@]3(CC(=O)\\C(=C/[C@]3(OC)[C@@H]2C)CC=C)OC","spectrum_id":"CCMSLIB00000851299","spectrum_index":3427},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385544-01_C21H26O6_(2S,3R,3aS,7aR)-5-Allyl-2-(4-hydroxy-3-methoxyphenyl)-3a,7a-dimethoxy-3-methyl-3,3a,7,7a-tetrahydro-1-benzofuran-6(2H)-one","exact_mass":374.173,"inchikey":"ZJCOLWRTVHBIBE-MZNUGIIHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.172394,"smiles":"COC1=CC(=CC=C1O)[C@H]2O[C@@]3(CC(=O)\\C(=C/[C@]3(OC)[C@@H]2C)CC=C)OC","spectrum_id":"CCMSLIB00000851302","spectrum_index":3428},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385709-01_C34H54O23_alpha-D-Glucopyranoside, O-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-alpha-D-glucopyranosyl O-beta-D-glucopyranosyl-(1->2)-4-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-","exact_mass":830.306,"inchikey":"LJGOHKSMJNTMAH-SIASELDQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":853.298828,"smiles":"C/C=C(C)/C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](OC(=O)\\C(C)=C\\C)[C@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851305","spectrum_index":3429},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381331-01_C16H26O5_Pentanoic acid, 3-methyl-, 5-hydroxy-3-(hydroxymethyl)-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester","exact_mass":298.178,"inchikey":"BUOADWXGPJXKRM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.188141,"smiles":"CCC(C)CC(=O)OC1C(C(C)C)C(O)\\C=C(CO)/C1=O","spectrum_id":"CCMSLIB00000851309","spectrum_index":3430},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381331-01_C16H26O5_Pentanoic acid, 3-methyl-, 5-hydroxy-3-(hydroxymethyl)-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester","exact_mass":298.178,"inchikey":"BUOADWXGPJXKRM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.214813,"smiles":"CCC(C)CC(=O)OC1C(C(C)C)C(O)\\C=C(CO)/C1=O","spectrum_id":"CCMSLIB00000851311","spectrum_index":3431},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381332-01_C28H38N2O7_Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalene]-7(3H)-acetic acid, alpha-(3-amino-3-oxopropyl)-3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-6-oxo-","exact_mass":514.268,"inchikey":"VGRPJNIVIGBNNK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":515.278748,"smiles":"CC1CCC2C(C)(C)C(O)CCC2(C)C13CC4=C(O3)C5=C(C=C4O)C(=O)N(C5)C(CCC(N)=O)C(O)=O","spectrum_id":"CCMSLIB00000851314","spectrum_index":3432},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381333-01_C44H66O25_6-O-[(2E)-2-Methyl-2-butenoyl]-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-2-butenoyl]-alpha-D-glucopyranosyl 3-O-[(2E)-2-methyl-2-butenoyl]-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-2-butenoyl]-alpha-D-glucopyranoside","exact_mass":994.389,"inchikey":"VAHODRXOSXNBRG-PMMMXXHCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1012.422974,"smiles":"C/C=C(C)/C(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)\\C(C)=C\\C)O[C@@H]2O[C@H]3O[C@H](COC(=O)\\C(C)=C\\C)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](OC(=O)\\C(C)=C\\C)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851317","spectrum_index":3433},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381333-01_C44H66O25_6-O-[(2E)-2-Methyl-2-butenoyl]-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-2-butenoyl]-alpha-D-glucopyranosyl 3-O-[(2E)-2-methyl-2-butenoyl]-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-2-butenoyl]-alpha-D-glucopyranoside","exact_mass":994.389,"inchikey":"VAHODRXOSXNBRG-PMMMXXHCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1017.380249,"smiles":"C/C=C(C)/C(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)\\C(C)=C\\C)O[C@@H]2O[C@H]3O[C@H](COC(=O)\\C(C)=C\\C)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](OC(=O)\\C(C)=C\\C)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851321","spectrum_index":3434},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381334-01_C49H72O26_alpha-D-Glucopyranoside, O-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-alpha-D-glucopyranosyl O-3,6-bis-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-","exact_mass":1076.43,"inchikey":"SUEAHVAYPMIWAF-ZONGZZJBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1077.436401,"smiles":"C/C=C(C)/C(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)\\C(C)=C\\C)O[C@@H]2O[C@H]3O[C@H](COC(=O)\\C(C)=C\\C)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H](COC(=O)\\C(C)=C\\C)[C@@H](O)[C@H](OC(=O)\\C(C)=C\\C)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851323","spectrum_index":3435},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381334-01_C49H72O26_alpha-D-Glucopyranoside, O-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-alpha-D-glucopyranosyl O-3,6-bis-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-","exact_mass":1076.43,"inchikey":"SUEAHVAYPMIWAF-ZONGZZJBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1094.467407,"smiles":"C/C=C(C)/C(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)\\C(C)=C\\C)O[C@@H]2O[C@H]3O[C@H](COC(=O)\\C(C)=C\\C)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H](COC(=O)\\C(C)=C\\C)[C@@H](O)[C@H](OC(=O)\\C(C)=C\\C)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851326","spectrum_index":3436},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381334-01_C49H72O26_alpha-D-Glucopyranoside, O-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-alpha-D-glucopyranosyl O-3,6-bis-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-","exact_mass":1076.43,"inchikey":"SUEAHVAYPMIWAF-ZONGZZJBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1099.42041,"smiles":"C/C=C(C)/C(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)\\C(C)=C\\C)O[C@@H]2O[C@H]3O[C@H](COC(=O)\\C(C)=C\\C)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H](COC(=O)\\C(C)=C\\C)[C@@H](O)[C@H](OC(=O)\\C(C)=C\\C)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851329","spectrum_index":3437},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381335-01_C82H128O40_Hexopyranose, O-pentopyranosyl-(1->3)-O-pentopyranosyl-(1->4)-O-pentopyranosyl-(1->2)-1-O-[3-[[O--6-O-acetylhexopyranosyl-(1->2)-O--4-O-acetylpentopyranosyl-(1->6)hexopyranosyl]oxy]-15,16-dihydroxy-28-oxoolean-12-en-28-yl]-3-O-[(2E)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadien-1-yl]-","exact_mass":1752.8,"inchikey":"OKNVMWXBWKWFGA-ROPCREHHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1753.815308,"smiles":"CC(=O)OCC1OC(OC2C(O)C(COC2OCC3OC(OC4CCC5(C)C(CCC6(C)C5C\\C=C/7C8CC(C)(C)CCC8(C(O)C(O)C67C)C(=O)OC9OC(CO)C(O)C(OC(=O)\\C(C)=C\\CCC(C)(O)C=C)C9OC%10OCC(OC%11OCC(O)C(OC%12OCC(O)C(O)C%12O)C%11O)C(O)C%10O)C4(C)C)C(O)C(O)C3O)OC(C)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000851332","spectrum_index":3438},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381336-01_C33H50O21_2,6-Anhydro-5-O-[4-({6-O-[4-(beta-D-glucopyranosyloxy)-2-methylenebutanoyl]-beta-D-glucopyranosyl}oxy)-2-methylenebutanoyl]-1-O-(4-hydroxy-2-methylenebutanoyl)hexitol","exact_mass":782.284,"inchikey":"GBGKVNUYCBHABP-CPDKWHJTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":783.294067,"smiles":"OCCC(=C)C(=O)OCC1OCC(OC(=O)C(=C)CCO[C@@H]2O[C@H](COC(=O)C(=C)CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C(O)C1O","spectrum_id":"CCMSLIB00000851335","spectrum_index":3439},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381336-01_C33H50O21_2,6-Anhydro-5-O-[4-({6-O-[4-(beta-D-glucopyranosyloxy)-2-methylenebutanoyl]-beta-D-glucopyranosyl}oxy)-2-methylenebutanoyl]-1-O-(4-hydroxy-2-methylenebutanoyl)hexitol","exact_mass":782.284,"inchikey":"GBGKVNUYCBHABP-CPDKWHJTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":800.321045,"smiles":"OCCC(=C)C(=O)OCC1OCC(OC(=O)C(=C)CCO[C@@H]2O[C@H](COC(=O)C(=C)CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C(O)C1O","spectrum_id":"CCMSLIB00000851338","spectrum_index":3440},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381336-01_C33H50O21_2,6-Anhydro-5-O-[4-({6-O-[4-(beta-D-glucopyranosyloxy)-2-methylenebutanoyl]-beta-D-glucopyranosyl}oxy)-2-methylenebutanoyl]-1-O-(4-hydroxy-2-methylenebutanoyl)hexitol","exact_mass":782.284,"inchikey":"GBGKVNUYCBHABP-CPDKWHJTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":805.275818,"smiles":"OCCC(=C)C(=O)OCC1OCC(OC(=O)C(=C)CCO[C@@H]2O[C@H](COC(=O)C(=C)CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C(O)C1O","spectrum_id":"CCMSLIB00000851341","spectrum_index":3441},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381337-01_C64H104O30_Pentopyranosyl-(1->4)pentopyranosyl-(1->4)-1-O-[(3beta,5xi,9xi,18xi)-3-{[hexopyranosyl-(1->3)hexopyranosyl-(1->4)-6-deoxyhexopyranosyl]oxy}-28-oxoolean-12-en-28-yl]hexopyranose","exact_mass":1352.66,"inchikey":"WBVHESCDDDNHNK-RGYLSWJQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1353.664917,"smiles":"CC1OC(O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3C\\C=C/5C6CC(C)(C)CC[C@@]6(CC[C@@]45C)C(=O)OC7OC(CO)C(OC8OCC(OC9OCC(O)C(O)C9O)C(O)C8O)C(O)C7O)C2(C)C)C(O)C(O)C1OC%10OC(CO)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)C%10O","spectrum_id":"CCMSLIB00000851344","spectrum_index":3442},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179753-02_C31H40O16_(1S,4aR,5S,7aS)-5-({6-Deoxy-4-O-[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside","exact_mass":668.232,"inchikey":"NGNMVXFBFBZQAG-TWJMZOPMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":691.223145,"smiles":"COC1=C(O)C=C(\\C=C\\C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3\\C=C(\\CO)[C@H]4[C@@H](O\\C=C/[C@@H]34)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H]2O)C=C1","spectrum_id":"CCMSLIB00000851347","spectrum_index":3443},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347740-02_C30H40O8_Androstan-16-one, 1,7-bis(acetyloxy)-14,15-epoxy-17-(3-furanyl)-3-hydroxy-4,4,8-trimethyl-","exact_mass":528.272,"inchikey":"LZMUZSFHEIXIJR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":529.282715,"smiles":"CC(=O)OC1CC(O)C(C)(C)C2CC(OC(C)=O)C3(C)C(CCC4(C)C(C(=O)C5OC345)C6=COC=C6)C12C","spectrum_id":"CCMSLIB00000851350","spectrum_index":3444},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347740-02_C30H40O8_Androstan-16-one, 1,7-bis(acetyloxy)-14,15-epoxy-17-(3-furanyl)-3-hydroxy-4,4,8-trimethyl-","exact_mass":528.272,"inchikey":"LZMUZSFHEIXIJR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":546.309082,"smiles":"CC(=O)OC1CC(O)C(C)(C)C2CC(OC(C)=O)C3(C)C(CCC4(C)C(C(=O)C5OC345)C6=COC=C6)C12C","spectrum_id":"CCMSLIB00000851353","spectrum_index":3445},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381215-01_C36H48O19_beta-D-Glucopyranoside, 2-(3,4-dimethoxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":784.279,"inchikey":"NVKSXODNGLJJHQ-QWQCSYSWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":802.31427,"smiles":"COC1=CC=C(CCO[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](OC(=O)/C=C/C4=CC=C(O)C(=C4)O)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]2O)C=C1OC","spectrum_id":"CCMSLIB00000851357","spectrum_index":3446},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381215-01_C36H48O19_beta-D-Glucopyranoside, 2-(3,4-dimethoxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":784.279,"inchikey":"NVKSXODNGLJJHQ-QWQCSYSWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":807.270325,"smiles":"COC1=CC=C(CCO[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](OC(=O)/C=C/C4=CC=C(O)C(=C4)O)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]2O)C=C1OC","spectrum_id":"CCMSLIB00000851360","spectrum_index":3447},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381216-01_C24H28O8_Furo[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f][2]benzopyran-1,5,9,13(2H,11H)-tetrone, 3a,5a,6,8,12,13a,13b,13c-octahydro-7-(hydroxymethyl)-2,5a,11,11,13a-pentamethyl-","exact_mass":444.178,"inchikey":"JIEVZPUBUDASNE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.188568,"smiles":"CC1OC2OC(=O)C3(C)C\\C4=C(CO)\\C5=C(/CC(=O)C4(C)C(C23)C1=O)C(C)(C)OC(=O)C5","spectrum_id":"CCMSLIB00000851363","spectrum_index":3448},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381226-01_C20H30O12_Hexopyranoside, 3,4-dimethoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-","exact_mass":462.174,"inchikey":"ALPIUWBZQOROIJ-LHZCODTLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.184326,"smiles":"COC1=CC=C(OC2OC(CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C(O)C(O)C2O)C=C1OC","spectrum_id":"CCMSLIB00000851366","spectrum_index":3449},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381226-01_C20H30O12_Hexopyranoside, 3,4-dimethoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-","exact_mass":462.174,"inchikey":"ALPIUWBZQOROIJ-LHZCODTLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":480.210327,"smiles":"COC1=CC=C(OC2OC(CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C(O)C(O)C2O)C=C1OC","spectrum_id":"CCMSLIB00000851369","spectrum_index":3450},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381226-01_C20H30O12_Hexopyranoside, 3,4-dimethoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-","exact_mass":462.174,"inchikey":"ALPIUWBZQOROIJ-LHZCODTLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.165833,"smiles":"COC1=CC=C(OC2OC(CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C(O)C(O)C2O)C=C1OC","spectrum_id":"CCMSLIB00000851371","spectrum_index":3451},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381227-01_C31H40O10_","exact_mass":572.262,"inchikey":"QATFYHWTNMSERU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":573.272583,"smiles":"CCC(C)C(=O)OC1CC(O)C23C4OCC5(C(O)CC2C1(C)C(O)O4)C3C(=O)CC6(C)C(CC7OC567)C8=COC=C8","spectrum_id":"CCMSLIB00000851374","spectrum_index":3452},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381227-01_C31H40O10_","exact_mass":572.262,"inchikey":"QATFYHWTNMSERU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":555.261902,"smiles":"CCC(C)C(=O)OC1CC(O)C23C4OCC5(C(O)CC2C1(C)C(O)O4)C3C(=O)CC6(C)C(CC7OC567)C8=COC=C8","spectrum_id":"CCMSLIB00000851378","spectrum_index":3453},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381229-01_C54H90O30_Hexopyranoside, (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl O--6-deoxyhexopyranosyl-(1->4)-O-pentopyranosyl-(1->4)-O--6-deoxyhexopyranosyl-(1->4)-O--6-deoxyhexopyranosyl-(1->3)-O-[O-pentopyranosyl-(1->4)pentopyranosyl-(1->6)]-","exact_mass":1218.55,"inchikey":"BDQVTRRVULQEPY-QRCIITMISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1219.556763,"smiles":"CC1OC(OC2COC(OC3C(C)OC(OC4C(C)OC(OC5C(O)C(COC6OCC(OC7OCC(O)C(O)C7O)C(O)C6O)OC(OC/C=C(C)/CC/C=C(C)/CCC=C(C)C)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000851380","spectrum_index":3454},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169684-02_C25H30O12_(1S,4aS,6S,7R,7aS)-1-(beta-D-Glucopyranosyloxy)-6-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":522.174,"inchikey":"OJAGBDHRHPCDLN-XOZBCDBDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.184448,"smiles":"C[C@H]1[C@H](C[C@H]\\2[C@@H]1[C@@H](O\\C=C2C(O)=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC(=O)\\C=C\\C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000851383","spectrum_index":3455},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169684-02_C25H30O12_(1S,4aS,6S,7R,7aS)-1-(beta-D-Glucopyranosyloxy)-6-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":522.174,"inchikey":"OJAGBDHRHPCDLN-XOZBCDBDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.166504,"smiles":"C[C@H]1[C@H](C[C@H]\\2[C@@H]1[C@@H](O\\C=C2C(O)=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC(=O)\\C=C\\C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000851387","spectrum_index":3456},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169806-03_C20H32O3_1-Naphthalenecarboxylic acid, decahydro-5-(3-hydroxy-3-methyl-4-penten-1-yl)-1,4a-dimethyl-6-methylene-, (1R,4aR,5S)-","exact_mass":320.235,"inchikey":"LMODNMXJBXUOQF-NFSBWDCGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.245605,"smiles":"CC(O)(CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@@]2(C)C(O)=O)C=C","spectrum_id":"CCMSLIB00000851389","spectrum_index":3457},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385096-01_C20H30O11_2-Phenylethyl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside","exact_mass":446.179,"inchikey":"BSSIFJHEGYUPRJ-HNCKFYPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.171387,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OCCC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851392","spectrum_index":3458},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385097-01_C20H22O9_beta-D-Glucopyranoside, 4-hydroxy-2-(hydroxymethyl)phenyl, 6-benzoate","exact_mass":406.126,"inchikey":"FLROYCKIIJCTDY-BFMVXSJESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.136749,"smiles":"OCC1=CC(=CC=C1O[C@@H]2O[C@H](COC(=O)C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)O","spectrum_id":"CCMSLIB00000851395","spectrum_index":3459},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385097-01_C20H22O9_beta-D-Glucopyranoside, 4-hydroxy-2-(hydroxymethyl)phenyl, 6-benzoate","exact_mass":406.126,"inchikey":"FLROYCKIIJCTDY-BFMVXSJESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.126373,"smiles":"OCC1=CC(=CC=C1O[C@@H]2O[C@H](COC(=O)C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)O","spectrum_id":"CCMSLIB00000851398","spectrum_index":3460},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385097-01_C20H22O9_beta-D-Glucopyranoside, 4-hydroxy-2-(hydroxymethyl)phenyl, 6-benzoate","exact_mass":406.126,"inchikey":"FLROYCKIIJCTDY-BFMVXSJESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.118561,"smiles":"OCC1=CC(=CC=C1O[C@@H]2O[C@H](COC(=O)C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)O","spectrum_id":"CCMSLIB00000851403","spectrum_index":3461},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385099-01_C19H28O11_beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl 2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":432.163,"inchikey":"WWVATHTYIDDAQF-DERWZFJFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.200531,"smiles":"OC[C@H]1O[C@@H](OCCC2=CC=C(O)C=C2)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851404","spectrum_index":3462},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385099-01_C19H28O11_beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl 2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":432.163,"inchikey":"WWVATHTYIDDAQF-DERWZFJFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.156067,"smiles":"OC[C@H]1O[C@@H](OCCC2=CC=C(O)C=C2)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851407","spectrum_index":3463},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385162-01_C20H30O_14-Isopropylpodocarpa-8,11,13-trien-13-ol","exact_mass":286.23,"inchikey":"ZRVDANDJSTYELM-FXAWDEMLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.239471,"smiles":"CC(C)C1=C(O)C=CC2=C1CC[C@H]3C(C)(C)CCC[C@]23C","spectrum_id":"CCMSLIB00000851410","spectrum_index":3464},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385163-01_C15H20O4_2(3H)-Furanone, dihydro-3-methylene-4-[(2E)-3-methyl-4-(tetrahydro-4-methyl-5-oxo-2-furanyl)-2-buten-1-yl]-, (4R)-","exact_mass":264.136,"inchikey":"KFKSQOIZZRZEFC-BZFAMWISSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.145782,"smiles":"CC1CC(C/C(C)=C/C[C@H]2COC(=O)C2=C)OC1=O","spectrum_id":"CCMSLIB00000851414","spectrum_index":3465},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385163-01_C15H20O4_2(3H)-Furanone, dihydro-3-methylene-4-[(2E)-3-methyl-4-(tetrahydro-4-methyl-5-oxo-2-furanyl)-2-buten-1-yl]-, (4R)-","exact_mass":264.136,"inchikey":"KFKSQOIZZRZEFC-BZFAMWISSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.128021,"smiles":"CC1CC(C/C(C)=C/C[C@H]2COC(=O)C2=C)OC1=O","spectrum_id":"CCMSLIB00000851416","spectrum_index":3466},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385508-01_C15H19NO9_2H-1,4-Benzoxazin-3(4H)-one, 2-(beta-D-glucopyranosyloxy)-7-methoxy-, (2R)-","exact_mass":357.106,"inchikey":"PMBZSEOAOIYRMW-XFWGRBSCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":358.116577,"smiles":"COC1=CC=C2NC(=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC2=C1","spectrum_id":"CCMSLIB00000851419","spectrum_index":3467},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168851-03_C22H26O11_[(1S,4aR,5S,7aS)-1-(beta-D-Glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate","exact_mass":466.148,"inchikey":"GLACGTLACKLUJX-QNAXTHAFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.143646,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3[C@H](O)\\C=C(\\COC(=O)C4=CC=C(O)C=C4)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851422","spectrum_index":3468},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168851-03_C22H26O11_[(1S,4aR,5S,7aS)-1-(beta-D-Glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate","exact_mass":466.148,"inchikey":"GLACGTLACKLUJX-QNAXTHAFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.135406,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3[C@H](O)\\C=C(\\COC(=O)C4=CC=C(O)C=C4)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851425","spectrum_index":3469},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179844-02_C36H58O11_1-O-[(2alpha,3beta,5xi,9xi,18xi,19alpha)-2,3,19,23-Tetrahydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":666.398,"inchikey":"CMZFNIMQBCBHEX-KXLFRROQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":689.384888,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000851428","spectrum_index":3470},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385282-01_C18H28O4_(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one","exact_mass":308.199,"inchikey":"BYWWNDLILWPPJP-REXWONOSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.206573,"smiles":"CO[C@H]\\1/C=C/[C@@](C)(O)/C=C/C(=O)O[C@H](C)[C@@H](C)CC/C=C1C","spectrum_id":"CCMSLIB00000851431","spectrum_index":3471},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385282-01_C18H28O4_(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one","exact_mass":308.199,"inchikey":"BYWWNDLILWPPJP-REXWONOSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.195282,"smiles":"CO[C@H]\\1/C=C/[C@@](C)(O)/C=C/C(=O)O[C@H](C)[C@@H](C)CC/C=C1C","spectrum_id":"CCMSLIB00000851434","spectrum_index":3472},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385283-01_C21H28O9_1-O-{[(3aS,6Z,10E,11aR)-10-Methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-yl]carbonyl}-beta-D-glucopyranose","exact_mass":424.173,"inchikey":"SIOXYUXOHTZOOM-FOCBMKBOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.161957,"smiles":"CC/1=C\\[C@H]2OC(=O)C(=C)[C@@H]2CC\\C(=C\\CC1)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000851437","spectrum_index":3473},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385284-01_C32H54O13_(2E)-5-{(1R,4aS,5S,6R,8aS)-5-[(beta-D-Glucopyranosyloxy)methyl]-6-hydroxy-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl}-3-methyl-2-penten-1-yl beta-D-glucopyranoside","exact_mass":646.356,"inchikey":"QIOMMMCQFIBVKA-PPQBIMEKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":647.361633,"smiles":"CC(/CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]12C)=C\\CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000851441","spectrum_index":3474},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385284-01_C32H54O13_(2E)-5-{(1R,4aS,5S,6R,8aS)-5-[(beta-D-Glucopyranosyloxy)methyl]-6-hydroxy-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl}-3-methyl-2-penten-1-yl beta-D-glucopyranoside","exact_mass":646.356,"inchikey":"QIOMMMCQFIBVKA-PPQBIMEKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":664.387695,"smiles":"CC(/CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]12C)=C\\CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000851445","spectrum_index":3475},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385284-01_C32H54O13_(2E)-5-{(1R,4aS,5S,6R,8aS)-5-[(beta-D-Glucopyranosyloxy)methyl]-6-hydroxy-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl}-3-methyl-2-penten-1-yl beta-D-glucopyranoside","exact_mass":646.356,"inchikey":"QIOMMMCQFIBVKA-PPQBIMEKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":669.342896,"smiles":"CC(/CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]12C)=C\\CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000851446","spectrum_index":3476},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385285-01_C14H20O8_beta-D-Glucopyranoside, 4-(hydroxymethyl)-2-methoxyphenyl","exact_mass":316.116,"inchikey":"SIMPNXWTAVEOTO-RKQHYHRCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":334.148712,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(=C1)CO","spectrum_id":"CCMSLIB00000851451","spectrum_index":3477},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385285-01_C14H20O8_beta-D-Glucopyranoside, 4-(hydroxymethyl)-2-methoxyphenyl","exact_mass":316.116,"inchikey":"SIMPNXWTAVEOTO-RKQHYHRCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.105164,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(=C1)CO","spectrum_id":"CCMSLIB00000851452","spectrum_index":3478},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385286-01_C25H28O13_(1S,4aS,7R,7aS)-1-(beta-D-Glucopyranosyloxy)-7-hydroxy-7-({[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}methyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":536.153,"inchikey":"WJPRKOJNQIZCGY-OZOLURDPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.148804,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C(/[C@H]3/C=C\\[C@](O)(COC(=O)/C=C/C4=CC=C(O)C=C4)[C@@H]23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851456","spectrum_index":3479},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385286-01_C25H28O13_(1S,4aS,7R,7aS)-1-(beta-D-Glucopyranosyloxy)-7-hydroxy-7-({[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}methyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":536.153,"inchikey":"WJPRKOJNQIZCGY-OZOLURDPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.141174,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C(/[C@H]3/C=C\\[C@](O)(COC(=O)/C=C/C4=CC=C(O)C=C4)[C@@H]23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851459","spectrum_index":3480},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385287-01_C26H40O10_2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-5-[(beta-D-glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E,4S)-","exact_mass":512.262,"inchikey":"VUEPOIYXKZTLMD-ANZZXSATSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.249512,"smiles":"C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CC[C@@]3(C)[C@H](C\\C=C\\4[C@H](O)COC4=O)C(=C)CC[C@H]13","spectrum_id":"CCMSLIB00000851462","spectrum_index":3481},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00346601-02_C13H18O7_beta-D-Glucopyranoside, 4-(hydroxymethyl)phenyl","exact_mass":286.105,"inchikey":"PUQSUZTXKPLAPR-UJPOAAIJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":304.141357,"smiles":"OC[C@H]1O[C@@H](OC2=CC=C(CO)C=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851465","spectrum_index":3482},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00346601-02_C13H18O7_beta-D-Glucopyranoside, 4-(hydroxymethyl)phenyl","exact_mass":286.105,"inchikey":"PUQSUZTXKPLAPR-UJPOAAIJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.096924,"smiles":"OC[C@H]1O[C@@H](OC2=CC=C(CO)C=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851468","spectrum_index":3483},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384685-01_C21H18O6_7-Oxabicyclo[4.1.0]hept-4-ene-2,3-diol, 1-[(benzoyloxy)methyl]-, 3-benzoate","exact_mass":366.11,"inchikey":"BHNSEWKVMCNSGO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.119934,"smiles":"OC1C(OC(=O)C2=CC=CC=C2)\\C=C/C3OC13COC(=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000851472","spectrum_index":3484},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384685-01_C21H18O6_7-Oxabicyclo[4.1.0]hept-4-ene-2,3-diol, 1-[(benzoyloxy)methyl]-, 3-benzoate","exact_mass":366.11,"inchikey":"BHNSEWKVMCNSGO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.102325,"smiles":"OC1C(OC(=O)C2=CC=CC=C2)\\C=C/C3OC13COC(=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000851474","spectrum_index":3485},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384687-01_C53H86O22_alpha-L-Arabinopyranoside, (3beta,9xi,16beta)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->3)]-","exact_mass":1074.56,"inchikey":"QCLBRNPQMDEDIM-VQIVNMEESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1075.562744,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H](O)[C@@H]2O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)O[C@H]5CC[C@@]6(C)[C@@H](CC[C@]7(C)C6CC[C@@H]8[C@H]9[C@@](C)(O)CC(O[C@@]9%10C[C@@]78CO%10)C=C(C)C)C5(C)C)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000851477","spectrum_index":3486},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384687-01_C53H86O22_alpha-L-Arabinopyranoside, (3beta,9xi,16beta)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->3)]-","exact_mass":1074.56,"inchikey":"QCLBRNPQMDEDIM-VQIVNMEESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1057.552856,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H](O)[C@@H]2O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)O[C@H]5CC[C@@]6(C)[C@@H](CC[C@]7(C)C6CC[C@@H]8[C@H]9[C@@](C)(O)CC(O[C@@]9%10C[C@@]78CO%10)C=C(C)C)C5(C)C)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000851479","spectrum_index":3487},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384687-01_C53H86O22_alpha-L-Arabinopyranoside, (3beta,9xi,16beta)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->3)]-","exact_mass":1074.56,"inchikey":"QCLBRNPQMDEDIM-VQIVNMEESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1092.58728,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H](O)[C@@H]2O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)O[C@H]5CC[C@@]6(C)[C@@H](CC[C@]7(C)C6CC[C@@H]8[C@H]9[C@@](C)(O)CC(O[C@@]9%10C[C@@]78CO%10)C=C(C)C)C5(C)C)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000851481","spectrum_index":3488},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384687-01_C53H86O22_alpha-L-Arabinopyranoside, (3beta,9xi,16beta)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->3)]-","exact_mass":1074.56,"inchikey":"QCLBRNPQMDEDIM-VQIVNMEESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1097.543579,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H](O)[C@@H]2O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)O[C@H]5CC[C@@]6(C)[C@@H](CC[C@]7(C)C6CC[C@@H]8[C@H]9[C@@](C)(O)CC(O[C@@]9%10C[C@@]78CO%10)C=C(C)C)C5(C)C)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000851484","spectrum_index":3489},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384689-01_C57H90O27_","exact_mass":1206.57,"inchikey":"NUIORTRPIBJBSQ-OWANZPHFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1207.56543,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2OC(=O)[C@]34CCC(C)(C)CC3C/5=C/CC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@](C)(C7CC[C@@]6(C)[C@]5(C)CC4)C(O)=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O","spectrum_id":"CCMSLIB00000851485","spectrum_index":3490},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384689-01_C57H90O27_","exact_mass":1206.57,"inchikey":"NUIORTRPIBJBSQ-OWANZPHFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1229.547729,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2OC(=O)[C@]34CCC(C)(C)CC3C/5=C/CC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@](C)(C7CC[C@@]6(C)[C@]5(C)CC4)C(O)=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O","spectrum_id":"CCMSLIB00000851488","spectrum_index":3491},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384756-01_C27H42O4_(3beta,5alpha,8xi,9xi,14xi,25S)-3-Hydroxyspirostan-12-one","exact_mass":430.308,"inchikey":"QOLRLLFJMZLYQJ-KVERTZGMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.318054,"smiles":"C[C@H]1CC[C@@]2(OC1)O[C@H]3CC4C5CC[C@H]6C[C@@H](O)CC[C@]6(C)C5CC(=O)[C@]4(C)[C@H]3[C@@H]2C","spectrum_id":"CCMSLIB00000851497","spectrum_index":3492},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163645-02_C20H28O4_3-{(E)-2-[(1R,4aS,5R,6R,8aR)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]vinyl}-2(5H)-furanone","exact_mass":332.199,"inchikey":"XMJAJFVLHDIEHF-CRBRZBHVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.206543,"smiles":"C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2\\C=C\\C3=C\\COC3=O","spectrum_id":"CCMSLIB00000851499","spectrum_index":3493},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163645-02_C20H28O4_3-{(E)-2-[(1R,4aS,5R,6R,8aR)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]vinyl}-2(5H)-furanone","exact_mass":332.199,"inchikey":"XMJAJFVLHDIEHF-CRBRZBHVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.19632,"smiles":"C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2\\C=C\\C3=C\\COC3=O","spectrum_id":"CCMSLIB00000851501","spectrum_index":3494},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180409-03_C27H36O6_Benzoic acid, 4-hydroxy-, (3R,4S,8S,8aS)-1,2,3,3a,4,5,8,8a-octahydro-3-hydroxy-6,8a-dimethyl-3-(1-methylethyl)-8-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-4-azulenyl ester","exact_mass":456.251,"inchikey":"NUXKLJINNAOFAH-GLKIMFHVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.248566,"smiles":"C\\C=C(\\C)C(=O)O[C@H]1\\C=C(\\C)C[C@H](OC(=O)C2=CC=C(O)C=C2)C3[C@]1(C)CC[C@@]3(O)C(C)C","spectrum_id":"CCMSLIB00000851504","spectrum_index":3495},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380522-01_C20H30O4_1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-9-oxo-","exact_mass":334.214,"inchikey":"UFEHYRPBLFGEJW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.212097,"smiles":"CC(C)C\\1(O)CCC2\\C(=C1)C(=O)CC3C2(C)CCCC3(C)C(O)=O","spectrum_id":"CCMSLIB00000851506","spectrum_index":3496},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380526-01_C22H30O6_1-Naphthalenecarboxylic acid, 3-(acetyloxy)-5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-","exact_mass":390.204,"inchikey":"NRNSOEIINXSQRA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.199615,"smiles":"CC1CCC\\2(CO)C(CC(OC(C)=O)\\C=C2C(O)=O)C1(C)CCC3=COC=C3","spectrum_id":"CCMSLIB00000851512","spectrum_index":3497},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380527-01_C24H30O7_Benzoic acid, 4-hydroxy-, 1-(acetyloxy)-1,2,3,3a,4,7,8,8a-octahydro-3-hydroxy-6,8a-dimethyl-3-(1-methylethyl)-7-oxo-4-azulenyl ester","exact_mass":430.199,"inchikey":"SSFXFPCIUUFGJD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.20752,"smiles":"CC(C)C1(O)CC(OC(C)=O)C2(C)CC(=O)\\C(=C/C(OC(=O)C3=CC=C(O)C=C3)C12)C","spectrum_id":"CCMSLIB00000851513","spectrum_index":3498},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380529-01_C15H22O3_4,7-Methanoazulen-6(1H)-one, 2,4,5,7,8,8a-hexahydro-7-hydroxy-9-(hydroxymethyl)-1,4,9-trimethyl-, (1S,4R,7R,8aS)-","exact_mass":250.157,"inchikey":"LUADJIBUFOIMNV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.164215,"smiles":"CC1C\\C=C2/C1CC3(O)C(=O)CC2(C)C3(C)CO","spectrum_id":"CCMSLIB00000851515","spectrum_index":3499},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380529-01_C15H22O3_4,7-Methanoazulen-6(1H)-one, 2,4,5,7,8,8a-hexahydro-7-hydroxy-9-(hydroxymethyl)-1,4,9-trimethyl-, (1S,4R,7R,8aS)-","exact_mass":250.157,"inchikey":"LUADJIBUFOIMNV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.154388,"smiles":"CC1C\\C=C2/C1CC3(O)C(=O)CC2(C)C3(C)CO","spectrum_id":"CCMSLIB00000851518","spectrum_index":3500},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380529-01_C15H22O3_4,7-Methanoazulen-6(1H)-one, 2,4,5,7,8,8a-hexahydro-7-hydroxy-9-(hydroxymethyl)-1,4,9-trimethyl-, (1S,4R,7R,8aS)-","exact_mass":250.157,"inchikey":"LUADJIBUFOIMNV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.147247,"smiles":"CC1C\\C=C2/C1CC3(O)C(=O)CC2(C)C3(C)CO","spectrum_id":"CCMSLIB00000851520","spectrum_index":3501},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169029-02_C15H22O3_Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9a-hydroxy-3,4a,5-trimethyl-, (4aR,5S,8aS,9aR)-","exact_mass":250.157,"inchikey":"QKYLNUXCPSRUNA-YZENIEGJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.165924,"smiles":"C[C@H]1CCC[C@H]2C[C@@]\\3(O)OC(=O)\\C(=C3C[C@]12C)C","spectrum_id":"CCMSLIB00000851521","spectrum_index":3502},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169029-02_C15H22O3_Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9a-hydroxy-3,4a,5-trimethyl-, (4aR,5S,8aS,9aR)-","exact_mass":250.157,"inchikey":"QKYLNUXCPSRUNA-YZENIEGJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.155243,"smiles":"C[C@H]1CCC[C@H]2C[C@@]\\3(O)OC(=O)\\C(=C3C[C@]12C)C","spectrum_id":"CCMSLIB00000851523","spectrum_index":3503},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347737-02_C41H66O13_Olean-12-en-28-oic acid, 3-[(2-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-23-hydroxy-, (5xi,9xi)-","exact_mass":766.45,"inchikey":"RROGHRHLBLVQSG-HGSPITOSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":767.458862,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CCC(O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000851525","spectrum_index":3504},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347737-02_C41H66O13_Olean-12-en-28-oic acid, 3-[(2-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-23-hydroxy-, (5xi,9xi)-","exact_mass":766.45,"inchikey":"RROGHRHLBLVQSG-HGSPITOSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":789.440674,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CCC(O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000851527","spectrum_index":3505},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385752-02_C18H28O11_1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 8-(beta-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-3-methoxy-1-methyl-, methyl ester, (1R,4aS,8S,8aS)-","exact_mass":420.163,"inchikey":"IZODPOCIKVLNIL-MNMYWMKCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":438.200348,"smiles":"COC1C[C@H]\\2[C@@H]([C@@H](C)O1)[C@@H](O\\C=C2C(=O)OC)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000851529","spectrum_index":3506},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385752-02_C18H28O11_1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 8-(beta-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-3-methoxy-1-methyl-, methyl ester, (1R,4aS,8S,8aS)-","exact_mass":420.163,"inchikey":"IZODPOCIKVLNIL-MNMYWMKCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.155975,"smiles":"COC1C[C@H]\\2[C@@H]([C@@H](C)O1)[C@@H](O\\C=C2C(=O)OC)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000851531","spectrum_index":3507},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385830-01_C19H30O9_2-Cyclohexen-1-one, 4-[(1E)-3-(beta-D-glucopyranosyloxy)-1-buten-1-yl]-4-hydroxy-5-(hydroxymethyl)-3,5-dimethyl-","exact_mass":402.189,"inchikey":"DXIYOCNHJLPWQM-JXPYDTCBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.199829,"smiles":"CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\\C=C\\C2(O)\\C(=C/C(=O)CC2(C)CO)C","spectrum_id":"CCMSLIB00000851534","spectrum_index":3508},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385830-01_C19H30O9_2-Cyclohexen-1-one, 4-[(1E)-3-(beta-D-glucopyranosyloxy)-1-buten-1-yl]-4-hydroxy-5-(hydroxymethyl)-3,5-dimethyl-","exact_mass":402.189,"inchikey":"DXIYOCNHJLPWQM-JXPYDTCBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.181488,"smiles":"CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\\C=C\\C2(O)\\C(=C/C(=O)CC2(C)CO)C","spectrum_id":"CCMSLIB00000851536","spectrum_index":3509},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385837-01_C15H20O3_6-Hydroxy-5a-methyl-3,9-bis(methylene)decahydronaphtho[1,2-b]furan-2(3H)-one","exact_mass":248.141,"inchikey":"FKBUODICGDOIGB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.150131,"smiles":"CC12CCC3C(OC(=O)C3=C)C1C(=C)CCC2O","spectrum_id":"CCMSLIB00000851538","spectrum_index":3510},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385837-01_C15H20O3_6-Hydroxy-5a-methyl-3,9-bis(methylene)decahydronaphtho[1,2-b]furan-2(3H)-one","exact_mass":248.141,"inchikey":"FKBUODICGDOIGB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.139587,"smiles":"CC12CCC3C(OC(=O)C3=C)C1C(=C)CCC2O","spectrum_id":"CCMSLIB00000851539","spectrum_index":3511},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385838-01_C15H18O2_Azuleno[4,5-b]furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aS,6aR,9aR,9bS)-","exact_mass":230.131,"inchikey":"NETSQGRTUNRXEO-XUXIUFHCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":213.128815,"smiles":"C=C1CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]3[C@H]1CCC3=C","spectrum_id":"CCMSLIB00000851544","spectrum_index":3512},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169477-02_C26H40O8_2(5H)-Furanone, 3-[2-[(1R,4aS,5R,8aS)-5-[(beta-D-glucopyranosyloxy)methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-","exact_mass":480.272,"inchikey":"YGCYRQKJYWQXHG-RDNQFMDVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.281219,"smiles":"C[C@]1(CCC[C@@]2(C)[C@H](CC\\C3=C\\COC3=O)C(=C)CC[C@H]12)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000851545","spectrum_index":3513},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169491-03_C19H30O8_2-Cyclohexen-1-one, 4-[(1E)-3-(beta-D-glucopyranosyloxy)-1-buten-1-yl]-4-hydroxy-3,5,5-trimethyl-, (4S)-","exact_mass":386.194,"inchikey":"SWYRVCGNMNAFEK-CLCVOTHJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.2034,"smiles":"CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\\C=C\\[C@@]2(O)\\C(=C/C(=O)CC2(C)C)C","spectrum_id":"CCMSLIB00000851547","spectrum_index":3514},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169491-03_C19H30O8_2-Cyclohexen-1-one, 4-[(1E)-3-(beta-D-glucopyranosyloxy)-1-buten-1-yl]-4-hydroxy-3,5,5-trimethyl-, (4S)-","exact_mass":386.194,"inchikey":"SWYRVCGNMNAFEK-CLCVOTHJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.185455,"smiles":"CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\\C=C\\[C@@]2(O)\\C(=C/C(=O)CC2(C)C)C","spectrum_id":"CCMSLIB00000851550","spectrum_index":3515},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180203-02_C21H28O5_(5xi,6beta,7alpha)-11,12-Dihydroxy-7-methoxy-6,20-epoxyabieta-8,11,13-trien-20-one","exact_mass":360.194,"inchikey":"XNPVHIQPSAZTLC-APZTZJSISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.202728,"smiles":"CO[C@@H]1[C@H]2OC(=O)[C@@]3(CCCC(C)(C)C23)C4=C1C=C(C(C)C)C(=C4O)O","spectrum_id":"CCMSLIB00000851552","spectrum_index":3516},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384584-01_C51H82O23_(3beta,9xi,22S,25S)-26-(beta-D-Glucopyranosyloxy)-22,25-epoxyfurost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside","exact_mass":1062.52,"inchikey":"MYCAPWDAUWJBMG-SENYXOIMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1063.526611,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3O[C@H]4CC[C@]5(C)C6CC[C@@]7(C)[C@@H](C[C@@H]8O[C@]9(CC[C@@](C)(CO[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)O9)[C@@H](C)[C@H]78)[C@@H]6C/C=C5/C4)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000851553","spectrum_index":3517},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384584-01_C51H82O23_(3beta,9xi,22S,25S)-26-(beta-D-Glucopyranosyloxy)-22,25-epoxyfurost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside","exact_mass":1062.52,"inchikey":"MYCAPWDAUWJBMG-SENYXOIMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1085.508301,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3O[C@H]4CC[C@]5(C)C6CC[C@@]7(C)[C@@H](C[C@@H]8O[C@]9(CC[C@@](C)(CO[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)O9)[C@@H](C)[C@H]78)[C@@H]6C/C=C5/C4)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000851556","spectrum_index":3518},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384586-01_C42H72O14_beta-D-Glucopyranoside, (3beta,5xi,6alpha,9xi,12beta)-20-(beta-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl","exact_mass":800.492,"inchikey":"YURJSTAIMNSZAE-ILDRPQKSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":823.479431,"smiles":"CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2CC[C@]3(C)[C@@H]2[C@H](O)CC4[C@@]5(C)CC[C@H](O)C(C)(C)C5[C@H](C[C@@]34C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000851558","spectrum_index":3519},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384587-01_C41H64O15_1-O-[(3beta,5xi,9xi,16alpha)-16,23-Dihydroxy-23,28-dioxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":796.424,"inchikey":"ARNBRPDSKOETGW-BWRWHWAYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":814.457947,"smiles":"CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000851560","spectrum_index":3520},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384587-01_C41H64O15_1-O-[(3beta,5xi,9xi,16alpha)-16,23-Dihydroxy-23,28-dioxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":796.424,"inchikey":"ARNBRPDSKOETGW-BWRWHWAYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":819.413086,"smiles":"CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000851562","spectrum_index":3521},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384588-01_C16H20O6_2H-3-Benzoxacyclododecin-2,10(1H)-dione, 4,5,6,7,8,9-hexahydro-8,11,13-trihydroxy-4-methyl-","exact_mass":308.126,"inchikey":"QPBNFQKLPIXNFL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.124359,"smiles":"CC1CCCC(O)CC(=O)C2=C(O)C=C(O)C=C2CC(=O)O1","spectrum_id":"CCMSLIB00000851564","spectrum_index":3522},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169858-03_C24H24O7_Methyl (2R)-4-hydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-3-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-2-furancarboxylate","exact_mass":424.152,"inchikey":"NGOLMNWQNHWEKU-XMMPIXPASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.162964,"smiles":"COC(=O)[C@]\\1(CC2=CC(=C(O)C=C2)CC=C(C)C)OC(=O)\\C(=C1C3=CC=C(O)C=C3)O","spectrum_id":"CCMSLIB00000851566","spectrum_index":3523},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169858-03_C24H24O7_Methyl (2R)-4-hydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-3-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-2-furancarboxylate","exact_mass":424.152,"inchikey":"NGOLMNWQNHWEKU-XMMPIXPASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.152008,"smiles":"COC(=O)[C@]\\1(CC2=CC(=C(O)C=C2)CC=C(C)C)OC(=O)\\C(=C1C3=CC=C(O)C=C3)O","spectrum_id":"CCMSLIB00000851567","spectrum_index":3524},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169882-02_C14H20O4_(8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione","exact_mass":252.136,"inchikey":"WTQWDNIIFGEBSZ-ROAVRGLVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.14563,"smiles":"CC1CCCC[C@@H]2[C@@H](CC(=O)O1)[C@@H](O)\\C=C/C2=O","spectrum_id":"CCMSLIB00000851569","spectrum_index":3525},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169882-02_C14H20O4_(8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione","exact_mass":252.136,"inchikey":"WTQWDNIIFGEBSZ-ROAVRGLVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":270.171997,"smiles":"CC1CCCC[C@@H]2[C@@H](CC(=O)O1)[C@@H](O)\\C=C/C2=O","spectrum_id":"CCMSLIB00000851572","spectrum_index":3526},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169882-02_C14H20O4_(8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione","exact_mass":252.136,"inchikey":"WTQWDNIIFGEBSZ-ROAVRGLVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.128052,"smiles":"CC1CCCC[C@@H]2[C@@H](CC(=O)O1)[C@@H](O)\\C=C/C2=O","spectrum_id":"CCMSLIB00000851573","spectrum_index":3527},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347662-02_C30H40O11_Methyl 5,6-diacetoxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxohexadecahydro-2H-naphtho[1,2-h]isochromene-2-carboxylate","exact_mass":576.257,"inchikey":"FFXYBQSGDXRLHS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":599.249146,"smiles":"COC(=O)C1(C)OC(=O)C2C3(C)C(OC(C)=O)C(OC(C)=O)C4C(C)(C)C(=O)CC(O)C4(C)C3CC(=C)C2(C)C1=O","spectrum_id":"CCMSLIB00000851575","spectrum_index":3528},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380619-01_C27H37NO7_Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalene]-7(3H)-butanoic acid, 3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4,6',7'-trihydroxy-2',5',5',8'a-tetramethyl-6-oxo-, (2R,2'R,6'S,7'R,8'aS)-","exact_mass":487.257,"inchikey":"WENVIACWNHYPLR-KUNUJKOTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.2677,"smiles":"C[C@@H]1CCC2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]13CC4=C(O3)C5=C(C=C4O)C(=O)N(CCCC(O)=O)C5","spectrum_id":"CCMSLIB00000851577","spectrum_index":3529},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380619-01_C27H37NO7_Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalene]-7(3H)-butanoic acid, 3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4,6',7'-trihydroxy-2',5',5',8'a-tetramethyl-6-oxo-, (2R,2'R,6'S,7'R,8'aS)-","exact_mass":487.257,"inchikey":"WENVIACWNHYPLR-KUNUJKOTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":510.248932,"smiles":"C[C@@H]1CCC2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]13CC4=C(O3)C5=C(C=C4O)C(=O)N(CCCC(O)=O)C5","spectrum_id":"CCMSLIB00000851579","spectrum_index":3530},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380620-01_C21H24O11_(3R,3'R,4R,6'S,7R)-5-Hydroxy-6',7-dimethyl-6,8-dioxo-3',4,4',5',6,6',7,8-octahydrospiro[isochromene-3,2'-pyran]-3',4,7-triyl triacetate","exact_mass":452.132,"inchikey":"BLUQBEZYLPEUCP-FOFCMSCHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.142273,"smiles":"C[C@H]1CC[C@@H](OC(C)=O)[C@]2(O\\C=C/3C(=O)[C@@](C)(OC(C)=O)C(=O)/C(=C3[C@H]2OC(C)=O)O)O1","spectrum_id":"CCMSLIB00000851581","spectrum_index":3531},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380620-01_C21H24O11_(3R,3'R,4R,6'S,7R)-5-Hydroxy-6',7-dimethyl-6,8-dioxo-3',4,4',5',6,6',7,8-octahydrospiro[isochromene-3,2'-pyran]-3',4,7-triyl triacetate","exact_mass":452.132,"inchikey":"BLUQBEZYLPEUCP-FOFCMSCHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.124023,"smiles":"C[C@H]1CC[C@@H](OC(C)=O)[C@]2(O\\C=C/3C(=O)[C@@](C)(OC(C)=O)C(=O)/C(=C3[C@H]2OC(C)=O)O)O1","spectrum_id":"CCMSLIB00000851583","spectrum_index":3532},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380624-01_C15H22O3_7,8-Bis(hydroxymethyl)-1,4a-dimethyl-3,4,4a,5,6,7-hexahydro-2H-benzo[7]annulen-2-one","exact_mass":250.157,"inchikey":"DPBOXKYWJVXMAW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.166077,"smiles":"CC/1=C2\\C=C(CO)/C(CO)CCC2(C)CCC1=O","spectrum_id":"CCMSLIB00000851585","spectrum_index":3533},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380624-01_C15H22O3_7,8-Bis(hydroxymethyl)-1,4a-dimethyl-3,4,4a,5,6,7-hexahydro-2H-benzo[7]annulen-2-one","exact_mass":250.157,"inchikey":"DPBOXKYWJVXMAW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.155197,"smiles":"CC/1=C2\\C=C(CO)/C(CO)CCC2(C)CCC1=O","spectrum_id":"CCMSLIB00000851587","spectrum_index":3534},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380628-01_C22H28O6_(4E,8E)-10-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyl-4,8-decadienoic acid","exact_mass":388.189,"inchikey":"NEGCNVRPGPHOAR-CCLLZULESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.198792,"smiles":"COC1=C(C\\C=C(C)\\CC\\C=C(C)\\CCC(O)=O)C(=C2C(=O)OCC2=C1C)O","spectrum_id":"CCMSLIB00000851589","spectrum_index":3535},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380628-01_C22H28O6_(4E,8E)-10-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyl-4,8-decadienoic acid","exact_mass":388.189,"inchikey":"NEGCNVRPGPHOAR-CCLLZULESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.188354,"smiles":"COC1=C(C\\C=C(C)\\CC\\C=C(C)\\CCC(O)=O)C(=C2C(=O)OCC2=C1C)O","spectrum_id":"CCMSLIB00000851592","spectrum_index":3536},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380628-01_C22H28O6_(4E,8E)-10-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyl-4,8-decadienoic acid","exact_mass":388.189,"inchikey":"NEGCNVRPGPHOAR-CCLLZULESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.180878,"smiles":"COC1=C(C\\C=C(C)\\CC\\C=C(C)\\CCC(O)=O)C(=C2C(=O)OCC2=C1C)O","spectrum_id":"CCMSLIB00000851593","spectrum_index":3537},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380632-01_C10H16O5_(4S,5S,6E,8S,10R)-4,5,8-Trihydroxy-10-methyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one","exact_mass":216.1,"inchikey":"HWMMWMJBUOCCFZ-XYEXOTNWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":217.108795,"smiles":"C[C@@H]1C[C@H](O)\\C=C\\[C@H](O)[C@@H](O)CC(=O)O1","spectrum_id":"CCMSLIB00000851595","spectrum_index":3538},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380632-01_C10H16O5_(4S,5S,6E,8S,10R)-4,5,8-Trihydroxy-10-methyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one","exact_mass":216.1,"inchikey":"HWMMWMJBUOCCFZ-XYEXOTNWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.09108,"smiles":"C[C@@H]1C[C@H](O)\\C=C\\[C@H](O)[C@@H](O)CC(=O)O1","spectrum_id":"CCMSLIB00000851597","spectrum_index":3539},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168868-02_C22H26O11_2-Cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, [2-[(2-O-acetyl-beta-D-glucopyranosyl)oxy]phenyl]methyl ester","exact_mass":466.148,"inchikey":"IUXQFJTWMSIYNY-HPSGFCEASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":484.180939,"smiles":"CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC2=C(COC(=O)C3(O)\\C=C/CCC3=O)C=CC=C2","spectrum_id":"CCMSLIB00000851599","spectrum_index":3540},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168868-02_C22H26O11_2-Cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, [2-[(2-O-acetyl-beta-D-glucopyranosyl)oxy]phenyl]methyl ester","exact_mass":466.148,"inchikey":"IUXQFJTWMSIYNY-HPSGFCEASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.135773,"smiles":"CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC2=C(COC(=O)C3(O)\\C=C/CCC3=O)C=CC=C2","spectrum_id":"CCMSLIB00000851602","spectrum_index":3541},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169081-02_C23H34O16_beta-D-Glucopyranose, 1-[2-[(2S,3E,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetate]","exact_mass":566.185,"inchikey":"QYTFUUGRKFACBM-MHESFOKOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":584.216675,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\\C(=C\\C)[C@@H]1CC(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000851603","spectrum_index":3542},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169081-02_C23H34O16_beta-D-Glucopyranose, 1-[2-[(2S,3E,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetate]","exact_mass":566.185,"inchikey":"QYTFUUGRKFACBM-MHESFOKOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":589.172241,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\\C(=C\\C)[C@@H]1CC(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000851605","spectrum_index":3543},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384948-01_C15H16O6_6H-Dibenzo[b,d]pyran-6-one, 2,3,4,4a-tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl-","exact_mass":292.095,"inchikey":"MMHTXEATDNFMMY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.102295,"smiles":"COC1=CC(=C2C(=O)OC3(C)CC(O)C(O)/C=C3/C2=C1)O","spectrum_id":"CCMSLIB00000851607","spectrum_index":3544},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384952-01_C35H44O19_(1aS,1bS,2S,5aR,6S,6aS)-6-({2,3-Di-O-acetyl-6-deoxy-4-O-[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":768.248,"inchikey":"FYTGEKJFCXSGKK-LHVPILOOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":786.2771,"smiles":"COC1=CC=C(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@@H]4\\C=C/O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4[C@@]6(CO)O[C@@H]36)[C@H](OC(C)=O)[C@@H]2OC(C)=O)C=C1O","spectrum_id":"CCMSLIB00000851609","spectrum_index":3545},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384952-01_C35H44O19_(1aS,1bS,2S,5aR,6S,6aS)-6-({2,3-Di-O-acetyl-6-deoxy-4-O-[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":768.248,"inchikey":"FYTGEKJFCXSGKK-LHVPILOOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":791.233337,"smiles":"COC1=CC=C(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@@H]4\\C=C/O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4[C@@]6(CO)O[C@@H]36)[C@H](OC(C)=O)[C@@H]2OC(C)=O)C=C1O","spectrum_id":"CCMSLIB00000851611","spectrum_index":3546},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384953-01_C41H46O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({2-O-Acetyl-6-deoxy-3,4-bis-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":810.273,"inchikey":"PCHWYSGBVKSPAM-VNWDAGECSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":811.275269,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](OC(C)=O)[C@H](OC(=O)\\C=C\\C6=CC=CC=C6)[C@H]1OC(=O)\\C=C\\C7=CC=CC=C7","spectrum_id":"CCMSLIB00000851614","spectrum_index":3547},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384953-01_C41H46O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({2-O-Acetyl-6-deoxy-3,4-bis-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":810.273,"inchikey":"PCHWYSGBVKSPAM-VNWDAGECSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":828.300964,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](OC(C)=O)[C@H](OC(=O)\\C=C\\C6=CC=CC=C6)[C@H]1OC(=O)\\C=C\\C7=CC=CC=C7","spectrum_id":"CCMSLIB00000851616","spectrum_index":3548},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384953-01_C41H46O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({2-O-Acetyl-6-deoxy-3,4-bis-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":810.273,"inchikey":"PCHWYSGBVKSPAM-VNWDAGECSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":833.257568,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](OC(C)=O)[C@H](OC(=O)\\C=C\\C6=CC=CC=C6)[C@H]1OC(=O)\\C=C\\C7=CC=CC=C7","spectrum_id":"CCMSLIB00000851617","spectrum_index":3549},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384954-01_C28H37NO8_2-[(6'R,8a'S)-4,6'-Dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3',4',4a',5',6,6',7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7(3H)-yl]pentanedioic acid","exact_mass":515.252,"inchikey":"QZGOQORSUIQVIR-UIXQMLBBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":516.257874,"smiles":"CC1CCC2C(C)(C)[C@H](O)CC[C@]2(C)C13CC4=C(O3)C5=C(C=C4O)C(=O)N(C5)C(CCC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000851619","spectrum_index":3550},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384954-01_C28H37NO8_2-[(6'R,8a'S)-4,6'-Dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3',4',4a',5',6,6',7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7(3H)-yl]pentanedioic acid","exact_mass":515.252,"inchikey":"QZGOQORSUIQVIR-UIXQMLBBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":538.239563,"smiles":"CC1CCC2C(C)(C)[C@H](O)CC[C@]2(C)C13CC4=C(O3)C5=C(C=C4O)C(=O)N(C5)C(CCC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000851621","spectrum_index":3551},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384956-01_C15H22O3_2-Naphthaleneacetic acid, decahydro-4-hydroxy-4a-methyl-alpha,8-bis(methylene)-","exact_mass":250.157,"inchikey":"IBJRJSQUSVUUDO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.153442,"smiles":"CC12CCCC(=C)C1CC(CC2O)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000851623","spectrum_index":3552},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347391-02_C22H26N2O4_2H-2,7a-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-13-(hydroxymethyl)-9-methoxy-, methyl ester, (2S,3E,7aS)-","exact_mass":382.189,"inchikey":"JBFBTBFJYNNYPW-ZXWRBSQSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.198364,"smiles":"COC(=O)C1(CO)[C@H]\\2CC\\3N(CC[C@@]14C3=N\\C5=CC=C(OC)C=C45)CC2=C/C","spectrum_id":"CCMSLIB00000851625","spectrum_index":3553},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347575-02_C25H39NO5_(7E)-11,12-Dihydroxy-3-isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","exact_mass":433.283,"inchikey":"VMCFTVWDHVWSOB-GXDHUFHOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.29129,"smiles":"COC1CC(=O)C23C(/C=C(\\C)CCC(O)C1O)\\C=C(\\C)C(C)C2C(CC(C)C)NC3=O","spectrum_id":"CCMSLIB00000851627","spectrum_index":3554},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347575-02_C25H39NO5_(7E)-11,12-Dihydroxy-3-isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","exact_mass":433.283,"inchikey":"VMCFTVWDHVWSOB-GXDHUFHOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":416.280884,"smiles":"COC1CC(=O)C23C(/C=C(\\C)CCC(O)C1O)\\C=C(\\C)C(C)C2C(CC(C)C)NC3=O","spectrum_id":"CCMSLIB00000851629","spectrum_index":3555},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347575-02_C25H39NO5_(7E)-11,12-Dihydroxy-3-isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","exact_mass":433.283,"inchikey":"VMCFTVWDHVWSOB-GXDHUFHOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":456.273163,"smiles":"COC1CC(=O)C23C(/C=C(\\C)CCC(O)C1O)\\C=C(\\C)C(C)C2C(CC(C)C)NC3=O","spectrum_id":"CCMSLIB00000851632","spectrum_index":3556},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380237-01_C16H28O7_6-Hydroxy-2,6-dimethyl-2,7-octadien-1-yl D-glucopyranoside","exact_mass":332.184,"inchikey":"WEHZDNHJZBEGME-SPGNZJCFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.191956,"smiles":"CC(COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=CCCC(C)(O)C=C","spectrum_id":"CCMSLIB00000851633","spectrum_index":3557},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380238-01_C28H38O10_1H-Pyrano[3',4':5,6]naphth[2,1-c]oxepin-3,8,11(9H)-trione, 5,12-bis(acetyloxy)dodecahydro-13-hydroxy-1,1,5a,7a,9,11b-hexamethyl-7-methylene-","exact_mass":534.247,"inchikey":"VPQXGRQIXIAIQO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.254822,"smiles":"CC1OC(=O)C2C3(C)C(OC(C)=O)C(O)C4C(C)(C)OC(=O)CC(OC(C)=O)C4(C)C3CC(=C)C2(C)C1=O","spectrum_id":"CCMSLIB00000851635","spectrum_index":3558},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380307-01_C17H23NO7_5,8-Epoxy-5H-[1,5]dioxecino[3,2-b]pyrrole-3,6,7-triol, decahydro-11-(4-methoxyphenyl)-, (3S,3aS,5R,6R,7R,8R,11R,11aR)-","exact_mass":353.147,"inchikey":"CXOWUUUBWJFSRU-FKBVCAKVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":354.156311,"smiles":"COC1=CC=C(C=C1)[C@H]2OC[C@H]3O[C@@H](O[C@@H]4[C@@H](O)CN[C@H]24)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000851637","spectrum_index":3559},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380309-01_C12H14O4_(7R,8R)-7,8-Dihydroxy-3,5,7-trimethyl-7,8-dihydro-6H-isochromen-6-one","exact_mass":222.089,"inchikey":"JVUYBLROBHJEJN-NEPJUHHUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":223.097061,"smiles":"CC/1=C/C/2=C(C)/C(=O)[C@](C)(O)[C@H](O)C2=C\\O1","spectrum_id":"CCMSLIB00000851640","spectrum_index":3560},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380309-01_C12H14O4_(7R,8R)-7,8-Dihydroxy-3,5,7-trimethyl-7,8-dihydro-6H-isochromen-6-one","exact_mass":222.089,"inchikey":"JVUYBLROBHJEJN-NEPJUHHUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":205.086273,"smiles":"CC/1=C/C/2=C(C)/C(=O)[C@](C)(O)[C@H](O)C2=C\\O1","spectrum_id":"CCMSLIB00000851642","spectrum_index":3561},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380309-01_C12H14O4_(7R,8R)-7,8-Dihydroxy-3,5,7-trimethyl-7,8-dihydro-6H-isochromen-6-one","exact_mass":222.089,"inchikey":"JVUYBLROBHJEJN-NEPJUHHUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.078979,"smiles":"CC/1=C/C/2=C(C)/C(=O)[C@](C)(O)[C@H](O)C2=C\\O1","spectrum_id":"CCMSLIB00000851643","spectrum_index":3562},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169641-02_C47H76O16_Hexopyranosiduronic acid, (3beta,5xi,9xi,18xi)-22-hydroxyolean-12-en-3-yl O--6-deoxyhexopyranosyl-(1->2)-O-pentopyranosyl-(1->2)-","exact_mass":896.513,"inchikey":"AVJNWIDNAJCPRK-AHDPYWBXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":914.542175,"smiles":"CC1OC(OC2C(O)C(O)COC2OC3C(O)C(O)C(OC3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C7\\C8CC(C)(C)CC(O)[C@]8(C)CC[C@@]67C)C4(C)C)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000851646","spectrum_index":3563},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169641-02_C47H76O16_Hexopyranosiduronic acid, (3beta,5xi,9xi,18xi)-22-hydroxyolean-12-en-3-yl O--6-deoxyhexopyranosyl-(1->2)-O-pentopyranosyl-(1->2)-","exact_mass":896.513,"inchikey":"AVJNWIDNAJCPRK-AHDPYWBXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":919.499329,"smiles":"CC1OC(OC2C(O)C(O)COC2OC3C(O)C(O)C(OC3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C7\\C8CC(C)(C)CC(O)[C@]8(C)CC[C@@]67C)C4(C)C)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000851648","spectrum_index":3564},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169701-03_C20H22O6_2(3H)-Furanone, dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R,4R)-","exact_mass":358.142,"inchikey":"MATGKVZWFZHCLI-LSDHHAIUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.151154,"smiles":"COC1=C(O)C=CC(=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(O)C=C3)OC","spectrum_id":"CCMSLIB00000851650","spectrum_index":3565},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386043-01_C21H26O6_Benzenemethanol, alpha-[1-[2,6-dimethoxy-4-(2-propen-1-yl)phenoxy]ethyl]-4-hydroxy-3-methoxy-","exact_mass":374.173,"inchikey":"ULZFTGWWPHYLGI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.171448,"smiles":"COC1=C(O)C=CC(=C1)C(O)C(C)OC2=C(OC)C=C(CC=C)C=C2OC","spectrum_id":"CCMSLIB00000851652","spectrum_index":3566},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386043-01_C21H26O6_Benzenemethanol, alpha-[1-[2,6-dimethoxy-4-(2-propen-1-yl)phenoxy]ethyl]-4-hydroxy-3-methoxy-","exact_mass":374.173,"inchikey":"ULZFTGWWPHYLGI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.16391,"smiles":"COC1=C(O)C=CC(=C1)C(O)C(C)OC2=C(OC)C=C(CC=C)C=C2OC","spectrum_id":"CCMSLIB00000851654","spectrum_index":3567},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386045-01_C21H28O6_2-Butenoic acid, 2-methyl-, (2Z)-2-[[1-(3,4-dimethoxyphenyl)propoxy]carbonyl]-2-buten-1-yl ester, (2E)-","exact_mass":376.189,"inchikey":"LKOARHYUMOKAPJ-GOBHWCIESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.224274,"smiles":"CCC(OC(=O)\\C(COC(=O)\\C(C)=C\\C)=C/C)C1=CC=C(OC)C(=C1)OC","spectrum_id":"CCMSLIB00000851656","spectrum_index":3568},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386045-01_C21H28O6_2-Butenoic acid, 2-methyl-, (2Z)-2-[[1-(3,4-dimethoxyphenyl)propoxy]carbonyl]-2-buten-1-yl ester, (2E)-","exact_mass":376.189,"inchikey":"LKOARHYUMOKAPJ-GOBHWCIESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.17981,"smiles":"CCC(OC(=O)\\C(COC(=O)\\C(C)=C\\C)=C/C)C1=CC=C(OC)C(=C1)OC","spectrum_id":"CCMSLIB00000851658","spectrum_index":3569},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386045-01_C21H28O6_2-Butenoic acid, 2-methyl-, (2Z)-2-[[1-(3,4-dimethoxyphenyl)propoxy]carbonyl]-2-buten-1-yl ester, (2E)-","exact_mass":376.189,"inchikey":"LKOARHYUMOKAPJ-GOBHWCIESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.153809,"smiles":"CCC(OC(=O)\\C(COC(=O)\\C(C)=C\\C)=C/C)C1=CC=C(OC)C(=C1)OC","spectrum_id":"CCMSLIB00000851660","spectrum_index":3570},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386046-01_C20H24O5_(2Z)-2-({[(2E)-3-(4-Methoxyphenyl)-2-propen-1-yl]oxy}carbonyl)-2-buten-1-yl (2E)-2-methyl-2-butenoate","exact_mass":344.162,"inchikey":"KRXLVSZOLMEYHF-RIKZZRQGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.160828,"smiles":"COC1=CC=C(\\C=C\\COC(=O)\\C(COC(=O)\\C(C)=C\\C)=C/C)C=C1","spectrum_id":"CCMSLIB00000851662","spectrum_index":3571},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386046-01_C20H24O5_(2Z)-2-({[(2E)-3-(4-Methoxyphenyl)-2-propen-1-yl]oxy}carbonyl)-2-buten-1-yl (2E)-2-methyl-2-butenoate","exact_mass":344.162,"inchikey":"KRXLVSZOLMEYHF-RIKZZRQGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.153687,"smiles":"COC1=CC=C(\\C=C\\COC(=O)\\C(COC(=O)\\C(C)=C\\C)=C/C)C=C1","spectrum_id":"CCMSLIB00000851664","spectrum_index":3572},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386055-01_C26H29N3O5_3-Hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0~1,17~.0~3,15~.0~4,13~.0~7,12~.0~19,23~]hexacosa-4,6,10,12,14-pentaene-24,26-dione 14-oxide","exact_mass":463.211,"inchikey":"QCZUWKYBDIHUEP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":464.220184,"smiles":"CC\\1(C)OC2=CC=C3C(=C2\\C=C1)\\[N+](=C/4C(C)(C)C5CC67CCCN6C(=O)C5(CC34O)NC7=O)[O-]","spectrum_id":"CCMSLIB00000851666","spectrum_index":3573},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386055-01_C26H29N3O5_3-Hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0~1,17~.0~3,15~.0~4,13~.0~7,12~.0~19,23~]hexacosa-4,6,10,12,14-pentaene-24,26-dione 14-oxide","exact_mass":463.211,"inchikey":"QCZUWKYBDIHUEP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":446.209442,"smiles":"CC\\1(C)OC2=CC=C3C(=C2\\C=C1)\\[N+](=C/4C(C)(C)C5CC67CCCN6C(=O)C5(CC34O)NC7=O)[O-]","spectrum_id":"CCMSLIB00000851668","spectrum_index":3574},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386055-01_C26H29N3O5_3-Hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0~1,17~.0~3,15~.0~4,13~.0~7,12~.0~19,23~]hexacosa-4,6,10,12,14-pentaene-24,26-dione 14-oxide","exact_mass":463.211,"inchikey":"QCZUWKYBDIHUEP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":486.202942,"smiles":"CC\\1(C)OC2=CC=C3C(=C2\\C=C1)\\[N+](=C/4C(C)(C)C5CC67CCCN6C(=O)C5(CC34O)NC7=O)[O-]","spectrum_id":"CCMSLIB00000851670","spectrum_index":3575},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168887-02_C21H26O6_2-[6-Acetyl-3-(isobutyryloxy)-2,3-dihydro-1-benzofuran-2-yl]-2-propen-1-yl 2-methylpropanoate","exact_mass":374.173,"inchikey":"CPDCJXCECPCPNL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":392.20816,"smiles":"CC(C)C(=O)OCC(=C)C1OC2=C(C=CC(=C2)C(C)=O)C1OC(=O)C(C)C","spectrum_id":"CCMSLIB00000851672","spectrum_index":3576},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168887-02_C21H26O6_2-[6-Acetyl-3-(isobutyryloxy)-2,3-dihydro-1-benzofuran-2-yl]-2-propen-1-yl 2-methylpropanoate","exact_mass":374.173,"inchikey":"CPDCJXCECPCPNL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.16391,"smiles":"CC(C)C(=O)OCC(=C)C1OC2=C(C=CC(=C2)C(C)=O)C1OC(=O)C(C)C","spectrum_id":"CCMSLIB00000851674","spectrum_index":3577},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169801-02_C30H46O4_Lanosta-8,24-dien-26-oic acid, 21-hydroxy-3-oxo-, (5xi,13alpha,14beta,17alpha,20S,24E)-","exact_mass":470.34,"inchikey":"RLTDMRMWVUCOAI-BOVQQMIFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.347656,"smiles":"C\\C(=C/CC[C@H](CO)[C@@H]1CC[C@]2(C)\\C3=C(/CC[C@@]12C)[C@@]4(C)CCC(=O)C(C)(C)C4CC3)C(O)=O","spectrum_id":"CCMSLIB00000851676","spectrum_index":3578},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169801-02_C30H46O4_Lanosta-8,24-dien-26-oic acid, 21-hydroxy-3-oxo-, (5xi,13alpha,14beta,17alpha,20S,24E)-","exact_mass":470.34,"inchikey":"RLTDMRMWVUCOAI-BOVQQMIFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.337677,"smiles":"C\\C(=C/CC[C@H](CO)[C@@H]1CC[C@]2(C)\\C3=C(/CC[C@@]12C)[C@@]4(C)CCC(=O)C(C)(C)C4CC3)C(O)=O","spectrum_id":"CCMSLIB00000851678","spectrum_index":3579},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180855-02_C23H36O4_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1R,4aR,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-, methyl ester, (2Z)-","exact_mass":376.261,"inchikey":"FALZOOWSJAQSFX-OATHEDFASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.270142,"smiles":"COC(=O)\\C=C(\\CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O","spectrum_id":"CCMSLIB00000851680","spectrum_index":3580},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180855-02_C23H36O4_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1R,4aR,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-, methyl ester, (2Z)-","exact_mass":376.261,"inchikey":"FALZOOWSJAQSFX-OATHEDFASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.296417,"smiles":"COC(=O)\\C=C(\\CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O","spectrum_id":"CCMSLIB00000851682","spectrum_index":3581},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180855-02_C23H36O4_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1R,4aR,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-, methyl ester, (2Z)-","exact_mass":376.261,"inchikey":"FALZOOWSJAQSFX-OATHEDFASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.252228,"smiles":"COC(=O)\\C=C(\\CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O","spectrum_id":"CCMSLIB00000851684","spectrum_index":3582},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381012-01_C26H32O9_4aH-Phenanthro[2,1-c]pyran-4a-carboxylic acid, 1,3,4,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-6,10-dihydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-, methyl ester, (4aR,4bR,10aR,12aS)-","exact_mass":488.205,"inchikey":"YGLJLBFWQLNDEJ-ZAOKCOLMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.213165,"smiles":"COC(=O)[C@@]12C(=O)C(C)OC(=O)[C@@]1(C)C(=C)CC3[C@@]4(C)C(O)CC(=O)C(C)(C)\\C4=C(O)\\C(=O)[C@@]23C","spectrum_id":"CCMSLIB00000851685","spectrum_index":3583},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381012-01_C26H32O9_4aH-Phenanthro[2,1-c]pyran-4a-carboxylic acid, 1,3,4,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-6,10-dihydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-, methyl ester, (4aR,4bR,10aR,12aS)-","exact_mass":488.205,"inchikey":"YGLJLBFWQLNDEJ-ZAOKCOLMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.202667,"smiles":"COC(=O)[C@@]12C(=O)C(C)OC(=O)[C@@]1(C)C(=C)CC3[C@@]4(C)C(O)CC(=O)C(C)(C)\\C4=C(O)\\C(=O)[C@@]23C","spectrum_id":"CCMSLIB00000851688","spectrum_index":3584},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381012-01_C26H32O9_4aH-Phenanthro[2,1-c]pyran-4a-carboxylic acid, 1,3,4,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-6,10-dihydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-, methyl ester, (4aR,4bR,10aR,12aS)-","exact_mass":488.205,"inchikey":"YGLJLBFWQLNDEJ-ZAOKCOLMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":511.198029,"smiles":"COC(=O)[C@@]12C(=O)C(C)OC(=O)[C@@]1(C)C(=C)CC3[C@@]4(C)C(O)CC(=O)C(C)(C)\\C4=C(O)\\C(=O)[C@@]23C","spectrum_id":"CCMSLIB00000851690","spectrum_index":3585},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381068-01_C20H27NO11_{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}(4-hydroxyphenyl)acetonitrile","exact_mass":457.158,"inchikey":"OJPOTPLCXUWMGI-KNFYJXGCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.193665,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC(C#N)C3=CC=C(O)C=C3)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000851691","spectrum_index":3586},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381068-01_C20H27NO11_{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}(4-hydroxyphenyl)acetonitrile","exact_mass":457.158,"inchikey":"OJPOTPLCXUWMGI-KNFYJXGCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":480.148193,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC(C#N)C3=CC=C(O)C=C3)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000851694","spectrum_index":3587},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381072-01_C59H92O27_(3beta,5xi,9xi,15alpha,16alpha,21beta,22alpha)-22-Acetoxy-15,16,28-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl alpha-L-arabinopyranosyl-(1->3)-alpha-L-arabinopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosiduronic acid","exact_mass":1232.58,"inchikey":"BOJFXYVLUIJBBV-ZQPAMCIESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1233.581421,"smiles":"C/C=C(C)/C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H]6O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C(O)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2CC1(C)C","spectrum_id":"CCMSLIB00000851695","spectrum_index":3588},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381142-01_C15H14O4_1-(2,5-Dihydroxy-2-methyl-2,3-dihydrobenzo[de]chromen-4-yl)ethanone","exact_mass":258.089,"inchikey":"JRWJBFDOAUKNJA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":241.086761,"smiles":"CC(=O)C1=C(O)C=C2C=CC=C3OC(C)(O)CC1=C23","spectrum_id":"CCMSLIB00000851698","spectrum_index":3589},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381142-01_C15H14O4_1-(2,5-Dihydroxy-2-methyl-2,3-dihydrobenzo[de]chromen-4-yl)ethanone","exact_mass":258.089,"inchikey":"JRWJBFDOAUKNJA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.124207,"smiles":"CC(=O)C1=C(O)C=C2C=CC=C3OC(C)(O)CC1=C23","spectrum_id":"CCMSLIB00000851699","spectrum_index":3590},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381143-01_C15H13NO3_2(1H)-Quinolinone, 3,4-dihydro-3,4-dihydroxy-4-phenyl-","exact_mass":255.09,"inchikey":"ICAOEYXCZNNQNW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":256.097595,"smiles":"OC1C(=O)NC2=CC=CC=C2C1(O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000851701","spectrum_index":3591},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00091907-03_C15H22O3_(2E)-3-[(1R,4S,7R,7aR)-1-Hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylacrylic acid","exact_mass":250.157,"inchikey":"XJNQXTISSHEQKD-UNXUOHHUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.153229,"smiles":"C[C@@H]1CC[C@@H](\\C=C(/C)C(O)=O)C/2=C(\\C)C[C@@H](O)[C@H]12","spectrum_id":"CCMSLIB00000851703","spectrum_index":3592},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00091907-03_C15H22O3_(2E)-3-[(1R,4S,7R,7aR)-1-Hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylacrylic acid","exact_mass":250.157,"inchikey":"XJNQXTISSHEQKD-UNXUOHHUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.145752,"smiles":"C[C@@H]1CC[C@@H](\\C=C(/C)C(O)=O)C/2=C(\\C)C[C@@H](O)[C@H]12","spectrum_id":"CCMSLIB00000851705","spectrum_index":3593},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169469-03_C20H34O3_1-Naphthalenecarboxylic acid, decahydro-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylene-, (1R,4aS,5R,8aS)-","exact_mass":322.251,"inchikey":"NSRKLZRKJJQJLD-KXBJDGJWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.257812,"smiles":"CC(CCO)CC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@@]2(C)C(O)=O","spectrum_id":"CCMSLIB00000851708","spectrum_index":3594},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169469-03_C20H34O3_1-Naphthalenecarboxylic acid, decahydro-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylene-, (1R,4aS,5R,8aS)-","exact_mass":322.251,"inchikey":"NSRKLZRKJJQJLD-KXBJDGJWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.239716,"smiles":"CC(CCO)CC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@@]2(C)C(O)=O","spectrum_id":"CCMSLIB00000851710","spectrum_index":3595},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00346666-03_C20H24O9_(1R,3R,8S,10R,13S,16S,17R)-6,17-Dihydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.0~1,11~.0~3,7~.0~7,11~.0~13,17~]nonadecane-5,15,18-trione","exact_mass":408.142,"inchikey":"FPUXKXIZEIDQKW-TVPHMGRTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.148346,"smiles":"C[C@@H]1C(=O)O[C@H]2CC34[C@H]5C[C@@H](C(C)(C)C)C36[C@@H](O)C(=O)O[C@H]6O[C@@]4(C(=O)O5)[C@@]12O","spectrum_id":"CCMSLIB00000851712","spectrum_index":3596},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00346666-03_C20H24O9_(1R,3R,8S,10R,13S,16S,17R)-6,17-Dihydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.0~1,11~.0~3,7~.0~7,11~.0~13,17~]nonadecane-5,15,18-trione","exact_mass":408.142,"inchikey":"FPUXKXIZEIDQKW-TVPHMGRTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":426.174835,"smiles":"C[C@@H]1C(=O)O[C@H]2CC34[C@H]5C[C@@H](C(C)(C)C)C36[C@@H](O)C(=O)O[C@H]6O[C@@]4(C(=O)O5)[C@@]12O","spectrum_id":"CCMSLIB00000851714","spectrum_index":3597},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385071-01_C18H23NO4_Furo[2,3-b]quinolin-7-ol, 5,6,7,8-tetrahydro-4,8-dimethoxy-8-(3-methyl-2-buten-1-yl)-","exact_mass":317.163,"inchikey":"RNZIQNGNLJSLHV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.169769,"smiles":"COC1=C2CCC(O)C(CC=C(C)C)(OC)C2=NC3=C1C=CO3","spectrum_id":"CCMSLIB00000851720","spectrum_index":3598},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385071-01_C18H23NO4_Furo[2,3-b]quinolin-7-ol, 5,6,7,8-tetrahydro-4,8-dimethoxy-8-(3-methyl-2-buten-1-yl)-","exact_mass":317.163,"inchikey":"RNZIQNGNLJSLHV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":340.151367,"smiles":"COC1=C2CCC(O)C(CC=C(C)C)(OC)C2=NC3=C1C=CO3","spectrum_id":"CCMSLIB00000851721","spectrum_index":3599},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385072-01_C22H24O6_13,14-Dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydro[1,3]benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxole","exact_mass":384.157,"inchikey":"HTBWBWWADZJXID-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.164093,"smiles":"COC1=C2OCOC2=CC3=C1C4=C(CC(C)C(C)C3)C=C5OCOC5=C4OC","spectrum_id":"CCMSLIB00000851724","spectrum_index":3600},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385072-01_C22H24O6_13,14-Dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydro[1,3]benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxole","exact_mass":384.157,"inchikey":"HTBWBWWADZJXID-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.190674,"smiles":"COC1=C2OCOC2=CC3=C1C4=C(CC(C)C(C)C3)C=C5OCOC5=C4OC","spectrum_id":"CCMSLIB00000851726","spectrum_index":3601},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385076-01_C24H28O11_(5E)-5-[2-(beta-D-Glucopyranosyloxy)ethylidene]-4-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-2-methyl-1-cyclopentene-1-carboxylic acid","exact_mass":492.163,"inchikey":"CBJNLOVRAFQEQH-VUIINJGZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":510.19455,"smiles":"CC\\1=C(C(O)=O)\\C(=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C1)OC(=O)\\C=C\\C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000851731","spectrum_index":3602},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385076-01_C24H28O11_(5E)-5-[2-(beta-D-Glucopyranosyloxy)ethylidene]-4-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-2-methyl-1-cyclopentene-1-carboxylic acid","exact_mass":492.163,"inchikey":"CBJNLOVRAFQEQH-VUIINJGZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":515.149902,"smiles":"CC\\1=C(C(O)=O)\\C(=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C1)OC(=O)\\C=C\\C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000851734","spectrum_index":3603},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169374-02_C23H28O11_7-Oxatricyclo[4.3.0.0~3,9~]nonan-8-one, 9-[(benzoyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-4-hydroxy-6-methyl-, (1R,3R,4R,6S,9S)-","exact_mass":480.163,"inchikey":"QQUHMASGPODSIW-ICECTASOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.174194,"smiles":"C[C@]12C[C@@H](O)[C@@H]3C[C@@]1(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]3(COC(=O)C5=CC=CC=C5)C(=O)O2","spectrum_id":"CCMSLIB00000851735","spectrum_index":3604},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169374-02_C23H28O11_7-Oxatricyclo[4.3.0.0~3,9~]nonan-8-one, 9-[(benzoyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-4-hydroxy-6-methyl-, (1R,3R,4R,6S,9S)-","exact_mass":480.163,"inchikey":"QQUHMASGPODSIW-ICECTASOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.156738,"smiles":"C[C@]12C[C@@H](O)[C@@H]3C[C@@]1(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]3(COC(=O)C5=CC=CC=C5)C(=O)O2","spectrum_id":"CCMSLIB00000851738","spectrum_index":3605},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169522-02_C27H34O11_4-{[(3R,4R)-4-(3,4-Dimethoxybenzyl)-2-oxotetrahydro-3-furanyl]methyl}-2-methoxyphenyl beta-D-glucopyranoside","exact_mass":534.21,"inchikey":"XOJVHLIYNSOZOO-SWOBOCGESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":557.203552,"smiles":"COC1=C(OC)C=C(C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)OC)C=C1","spectrum_id":"CCMSLIB00000851739","spectrum_index":3606},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179325-04_C24H30O11_(1S,4aS,5R,7S,7aS)-1-(beta-D-Glucopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl (2E)-3-phenylacrylate","exact_mass":494.179,"inchikey":"KVRQGMOSZKPBNS-FMHLWDFHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.172363,"smiles":"C[C@@]1(C[C@@H](O)[C@]2(O)\\C=C/O[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12)OC(=O)\\C=C\\C4=CC=CC=C4","spectrum_id":"CCMSLIB00000851741","spectrum_index":3607},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180686-03_C36H56O14_Card-20(22)-enolide, 3-[(6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-alpha-D-talopyranosyl)oxy]-1,14-dihydroxy-, (1beta,3beta,5beta,9xi)-","exact_mass":712.367,"inchikey":"CMUOOPXNBJLJQK-XIYZJAHSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":713.37738,"smiles":"CO[C@@H]1[C@H](O)[C@H](O[C@H](C)[C@@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]3C[C@@H](O)[C@@]4(C)[C@H](CC[C@@H]5C4CC[C@]6(C)[C@H](CC[C@]56O)\\C7=C\\C(=O)OC7)C3","spectrum_id":"CCMSLIB00000851744","spectrum_index":3608},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180686-03_C36H56O14_Card-20(22)-enolide, 3-[(6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-alpha-D-talopyranosyl)oxy]-1,14-dihydroxy-, (1beta,3beta,5beta,9xi)-","exact_mass":712.367,"inchikey":"CMUOOPXNBJLJQK-XIYZJAHSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":735.360168,"smiles":"CO[C@@H]1[C@H](O)[C@H](O[C@H](C)[C@@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]3C[C@@H](O)[C@@]4(C)[C@H](CC[C@@H]5C4CC[C@]6(C)[C@H](CC[C@]56O)\\C7=C\\C(=O)OC7)C3","spectrum_id":"CCMSLIB00000851745","spectrum_index":3609},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180720-03_C20H32O3_1-Naphthalenepentanoic acid, 1,4,4a,5,6,7,8,8a-octahydro-beta,2,5,5,8a-pentamethyl-4-oxo-, (betaS,1S,8aR)-","exact_mass":320.235,"inchikey":"JJGYRVZPUJUFTR-DRWSLCSESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.245514,"smiles":"C[C@@H](CC[C@H]1\\C(=C/C(=O)C2C(C)(C)CCC[C@]12C)C)CC(O)=O","spectrum_id":"CCMSLIB00000851748","spectrum_index":3610},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00262542-03_C19H22N2O_(9S)-Cinchonan-9-ol","exact_mass":294.173,"inchikey":"KMPWYEUPVWOPIM-QAMTZSDWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.183411,"smiles":"O[C@H]([C@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C)C3=CC=NC4=C3C=CC=C4","spectrum_id":"CCMSLIB00000851750","spectrum_index":3611},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385312-01_C60H98O29_alpha-L-Arabinopyranoside, (3beta,5xi,9xi,16alpha,18xi,22alpha)-22-(acetyloxy)-13,28-epoxy-16,23-dihydroxyoleanan-3-yl O-beta-D-glucopyranosyl-(1->2)-O-[O-beta-D-glucopyranosyl-(1->4)-O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)]-","exact_mass":1282.62,"inchikey":"GNJUNLNJRMFETA-AGJGHFFWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1283.619385,"smiles":"CC(=O)O[C@H]1CC(C)(C)CC2[C@]13CO[C@@]24CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]3O","spectrum_id":"CCMSLIB00000851752","spectrum_index":3612},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385312-01_C60H98O29_alpha-L-Arabinopyranoside, (3beta,5xi,9xi,16alpha,18xi,22alpha)-22-(acetyloxy)-13,28-epoxy-16,23-dihydroxyoleanan-3-yl O-beta-D-glucopyranosyl-(1->2)-O-[O-beta-D-glucopyranosyl-(1->4)-O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)]-","exact_mass":1282.62,"inchikey":"GNJUNLNJRMFETA-AGJGHFFWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1305.602173,"smiles":"CC(=O)O[C@H]1CC(C)(C)CC2[C@]13CO[C@@]24CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]3O","spectrum_id":"CCMSLIB00000851754","spectrum_index":3613},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168901-04_C21H23ClO5_5-Chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl acetate","exact_mass":390.123,"inchikey":"SWJLTKXURNHVHE-NJHPPEEMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.131927,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=C\\C\\2=C(/Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=C/O1","spectrum_id":"CCMSLIB00000851756","spectrum_index":3614},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168901-04_C21H23ClO5_5-Chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl acetate","exact_mass":390.123,"inchikey":"SWJLTKXURNHVHE-NJHPPEEMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.113739,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=C\\C\\2=C(/Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=C/O1","spectrum_id":"CCMSLIB00000851758","spectrum_index":3615},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169389-03_C25H30ClNO6_2(6H)-Isoquinolinebutanoic acid, 7-(acetyloxy)-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7,8-dihydro-7-methyl-6,8-dioxo-","exact_mass":475.176,"inchikey":"SAMXBYLRDCRTCV-HMSDUJDUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":476.184296,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=C\\C\\2=C(/Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=C/N1CCCC(O)=O","spectrum_id":"CCMSLIB00000851759","spectrum_index":3616},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169389-03_C25H30ClNO6_2(6H)-Isoquinolinebutanoic acid, 7-(acetyloxy)-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7,8-dihydro-7-methyl-6,8-dioxo-","exact_mass":475.176,"inchikey":"SAMXBYLRDCRTCV-HMSDUJDUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":498.165863,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=C\\C\\2=C(/Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=C/N1CCCC(O)=O","spectrum_id":"CCMSLIB00000851762","spectrum_index":3617},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180312-03_C24H17N3O3_Spiro[oxirane-2,7'(13'H)-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'(6'H)-dione, 6'-methyl-3-phenyl-, (2S,3S)-","exact_mass":395.127,"inchikey":"TWDKBDSVUUKABK-GBXCKJPGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":396.135162,"smiles":"CN1C(=O)C2=C(C=CC=C2)N\\3C(=O)C4=C(C=CC=C4)\\N=C3[C@@]15O[C@H]5C6=CC=CC=C6","spectrum_id":"CCMSLIB00000851763","spectrum_index":3618},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180730-03_C22H33NO6_(5aS,9S,9aR)-9b-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl N-acetylvalinate","exact_mass":407.231,"inchikey":"DFGYGTWTXGTQIC-GGCVLVMGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":408.239075,"smiles":"CC(C)C(NC(C)=O)C(=O)O[C@H]1CCC(C)(C)[C@@H]2C\\C=C3\\C(=O)OCC3(O)[C@@]12C","spectrum_id":"CCMSLIB00000851766","spectrum_index":3619},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180730-03_C22H33NO6_(5aS,9S,9aR)-9b-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl N-acetylvalinate","exact_mass":407.231,"inchikey":"DFGYGTWTXGTQIC-GGCVLVMGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":390.22821,"smiles":"CC(C)C(NC(C)=O)C(=O)O[C@H]1CCC(C)(C)[C@@H]2C\\C=C3\\C(=O)OCC3(O)[C@@]12C","spectrum_id":"CCMSLIB00000851768","spectrum_index":3620},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180730-03_C22H33NO6_(5aS,9S,9aR)-9b-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl N-acetylvalinate","exact_mass":407.231,"inchikey":"DFGYGTWTXGTQIC-GGCVLVMGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":430.220856,"smiles":"CC(C)C(NC(C)=O)C(=O)O[C@H]1CCC(C)(C)[C@@H]2C\\C=C3\\C(=O)OCC3(O)[C@@]12C","spectrum_id":"CCMSLIB00000851770","spectrum_index":3621},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347551-02_C23H31NO5_(2R,2'R,4a'S,6'S,7'R,8a'S)-4,6',7'-Trihydroxy-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7,7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6(3H)-one","exact_mass":401.22,"inchikey":"RUBLIKRGQGISNL-DXORJMCXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.228668,"smiles":"C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]13CC4=C(O3)C5=C(C=C4O)C(=O)NC5","spectrum_id":"CCMSLIB00000851772","spectrum_index":3622},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347551-02_C23H31NO5_(2R,2'R,4a'S,6'S,7'R,8a'S)-4,6',7'-Trihydroxy-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7,7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6(3H)-one","exact_mass":401.22,"inchikey":"RUBLIKRGQGISNL-DXORJMCXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":384.21817,"smiles":"C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]13CC4=C(O3)C5=C(C=C4O)C(=O)NC5","spectrum_id":"CCMSLIB00000851774","spectrum_index":3623},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347645-02_C28H38N2O6_1,9-Dioxacyclohexadeca-3,11-diene-2,10-dione, 3,5,7,11,13,15-hexamethyl-8,16-bis(5-oxazolylmethyl)-, (3E,5S,7R,8R,11E,13S,15R,16R)-","exact_mass":498.273,"inchikey":"LAJRJVDLKYGLOO-HLRFMGGZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.280579,"smiles":"C[C@H]/1C[C@@H](C)[C@@H](CC2=CN=CO2)OC(=O)\\C(=C\\[C@@H](C)C[C@@H](C)[C@@H](CC3=CN=CO3)OC(=O)\\C(=C1)C)C","spectrum_id":"CCMSLIB00000851775","spectrum_index":3624},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347802-02_C28H35N3O5_(1R,5R,7S,12R)-12-Hydroxy-4,4,4',4',12,14-hexamethyl-4'H,13H-spiro[9,14-diazatetracyclo[5.5.2.0~1,9~.0~3,7~]tetradecane-5,8'-[1,4]dioxepino[2,3-g]indole]-9',13(10'H)-dione","exact_mass":493.258,"inchikey":"UVZZDDLIOJPDKX-KXYXOSITSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":494.266327,"smiles":"CN1C(=O)[C@]23CC4C(C)(C)[C@@]5(C[C@]14CN2CC[C@@]3(C)O)C(=O)NC6=C5C=CC7=C6O\\C=C/C(C)(C)O7","spectrum_id":"CCMSLIB00000851777","spectrum_index":3625},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347808-02_C18H22O6_(5E,11E)-7,8,14,16-Tetrahydroxy-3-methyl-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecin-1-one","exact_mass":334.142,"inchikey":"NHAQNKDEUQPSIX-JHMJBTLWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.150146,"smiles":"CC1C\\C=C\\C(O)C(O)CC\\C=C\\C2=CC(=CC(=C2C(=O)O1)O)O","spectrum_id":"CCMSLIB00000851779","spectrum_index":3626},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347808-02_C18H22O6_(5E,11E)-7,8,14,16-Tetrahydroxy-3-methyl-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecin-1-one","exact_mass":334.142,"inchikey":"NHAQNKDEUQPSIX-JHMJBTLWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.139618,"smiles":"CC1C\\C=C\\C(O)C(O)CC\\C=C\\C2=CC(=CC(=C2C(=O)O1)O)O","spectrum_id":"CCMSLIB00000851782","spectrum_index":3627},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180346-02_C22H25N5O2_3-(1H-Imidazol-4-ylmethyl)-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione","exact_mass":391.201,"inchikey":"IQVNREJWRXOHEO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":392.211548,"smiles":"CC(C)(C=C)C12CC3N(C1NC4=C2C=CC=C4)C(=O)C(CC5=C[NH]C=N5)NC3=O","spectrum_id":"CCMSLIB00000851783","spectrum_index":3628},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347650-02_C17H14O6_6H-[1,3]Dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-6a(12aH)-ol, 3-methoxy-, (6aR,12aR)-","exact_mass":314.079,"inchikey":"LZMRDTLRSDRUSU-SJORKVTESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.077881,"smiles":"COC1=CC=C2[C@H]3OC4=CC5=C(OCO5)C=C4[C@@]3(O)COC2=C1","spectrum_id":"CCMSLIB00000851786","spectrum_index":3629},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347789-02_C19H24O7_(3S,5Z,8S,9R)-8,9,16-Trihydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione","exact_mass":364.152,"inchikey":"QXPNJMHRUZCEAP-OVOCMQAOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.162567,"smiles":"COC1=CC(=C2C(=O)O[C@@H](C)C\\C=C/C(=O)[C@@H](O)[C@H](O)CCCC2=C1)O","spectrum_id":"CCMSLIB00000851787","spectrum_index":3630},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347789-02_C19H24O7_(3S,5Z,8S,9R)-8,9,16-Trihydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione","exact_mass":364.152,"inchikey":"QXPNJMHRUZCEAP-OVOCMQAOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.151764,"smiles":"COC1=CC(=C2C(=O)O[C@@H](C)C\\C=C/C(=O)[C@@H](O)[C@H](O)CCCC2=C1)O","spectrum_id":"CCMSLIB00000851789","spectrum_index":3631},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347789-02_C19H24O7_(3S,5Z,8S,9R)-8,9,16-Trihydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione","exact_mass":364.152,"inchikey":"QXPNJMHRUZCEAP-OVOCMQAOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.144623,"smiles":"COC1=CC(=C2C(=O)O[C@@H](C)C\\C=C/C(=O)[C@@H](O)[C@H](O)CCCC2=C1)O","spectrum_id":"CCMSLIB00000851791","spectrum_index":3632},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385453-01_C53H84O20_(3beta,12beta,14beta)-3-{[beta-D-Glucopyranosyl-(1->4)-6-deoxy-3-O-methyl-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl]oxy}-14-hydroxy-20-oxopregn-5-en-12-yl (2E)-2-methyl-2-butenoate","exact_mass":1040.56,"inchikey":"AACVPYUISGWNOU-WYMPLXKRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1063.54126,"smiles":"COC1CC(OC(C)C1OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)OC5CCC6(C)C7CC(OC(=O)\\C(C)=C\\C)C8(C)C(CCC8(O)C7C/C=C6/C5)C(C)=O","spectrum_id":"CCMSLIB00000851793","spectrum_index":3633},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385454-01_C20H26N2O2_Ajmalan-17,21-diol, (17R,21alpha)-","exact_mass":326.199,"inchikey":"CJDRUOGAGYHKKD-RPVHCMHVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.209839,"smiles":"CC[C@@H]1[C@H](O)N2C3CC1[C@@H]4[C@@H](O)[C@@]5(C[C@H]24)[C@H]3N(C)C6=C5C=CC=C6","spectrum_id":"CCMSLIB00000851795","spectrum_index":3634},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385455-01_C11H18O8_4-(beta-D-Glucopyranosyloxy)-2-methylenebutanoic acid","exact_mass":278.1,"inchikey":"QJALTHDWQWOLLT-ZBGLXGBJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":296.136749,"smiles":"OC[C@H]1O[C@@H](OCCC(=C)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851799","spectrum_index":3635},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385455-01_C11H18O8_4-(beta-D-Glucopyranosyloxy)-2-methylenebutanoic acid","exact_mass":278.1,"inchikey":"QJALTHDWQWOLLT-ZBGLXGBJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.092133,"smiles":"OC[C@H]1O[C@@H](OCCC(=C)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851801","spectrum_index":3636},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385457-01_C16H11NO3_1-Hydroxy-2-methoxydibenzo[cd,f]indol-4(5H)-one","exact_mass":265.074,"inchikey":"KBGNBPGXVKPRQI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":266.083099,"smiles":"COC1=CC2=C3C(=CC4=CC=CC=C4C3=C1O)NC2=O","spectrum_id":"CCMSLIB00000851803","spectrum_index":3637},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169933-02_C45H73NO15_beta-D-Mannopyranoside, solanid-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-","exact_mass":867.498,"inchikey":"ZGVSETXHNHBTRK-UJAAUXMUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":868.500305,"smiles":"C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5C\\C=C6\\CC(CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H]7O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)N2C1","spectrum_id":"CCMSLIB00000851805","spectrum_index":3638},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384894-01_C36H58O11_3-(Hexopyranosyloxy)-2,6,23-trihydroxyolean-12-en-28-oic acid","exact_mass":666.398,"inchikey":"RXWXPKXKJZHTEJ-GLERXTOPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":667.401978,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000851807","spectrum_index":3639},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384894-01_C36H58O11_3-(Hexopyranosyloxy)-2,6,23-trihydroxyolean-12-en-28-oic acid","exact_mass":666.398,"inchikey":"RXWXPKXKJZHTEJ-GLERXTOPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":684.429443,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000851809","spectrum_index":3640},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384894-01_C36H58O11_3-(Hexopyranosyloxy)-2,6,23-trihydroxyolean-12-en-28-oic acid","exact_mass":666.398,"inchikey":"RXWXPKXKJZHTEJ-GLERXTOPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":689.384155,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000851811","spectrum_index":3641},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384897-01_C16H20O10_3-(Benzoyloxy)-2-hydroxypropyl beta-D-glucopyranosiduronic acid","exact_mass":372.106,"inchikey":"DLZMKPZOEYKXHQ-MQCRQNCBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.115295,"smiles":"OC(CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)COC(=O)C2=CC=CC=C2","spectrum_id":"CCMSLIB00000851813","spectrum_index":3642},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384897-01_C16H20O10_3-(Benzoyloxy)-2-hydroxypropyl beta-D-glucopyranosiduronic acid","exact_mass":372.106,"inchikey":"DLZMKPZOEYKXHQ-MQCRQNCBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.093506,"smiles":"OC(CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)COC(=O)C2=CC=CC=C2","spectrum_id":"CCMSLIB00000851815","spectrum_index":3643},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384901-01_C24H17N3O2_(7Z)-7-Benzylidene-6-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione","exact_mass":379.132,"inchikey":"HXDZMNFJQNZXKW-QNGOZBTKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":380.139282,"smiles":"CN1C(=O)C2=C(C=CC=C2)N3C(=O)C4=C(C=CC=C4)/N=C3/C1=C/C5=CC=CC=C5","spectrum_id":"CCMSLIB00000851817","spectrum_index":3644},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384902-01_C22H20N4O2_3,6-Bis(1H-indol-3-ylmethyl)-2,5-piperazinedione","exact_mass":372.159,"inchikey":"DNHODRZUCGXYKU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.165649,"smiles":"O=C1NC(CC2=C[NH]C3=C2C=CC=C3)C(=O)NC1CC4=C[NH]C5=C4C=CC=C5","spectrum_id":"CCMSLIB00000851819","spectrum_index":3645},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179861-02_C15H26O2_1,8-Azulenediol, 1,2,3,3a,4,7,8,8a-octahydro-3a,6-dimethyl-1-(1-methylethyl)-, (1R,3aR,8S,8aS)-","exact_mass":238.193,"inchikey":"SUAPQGLGNKUSLY-LJISPDSOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":221.189728,"smiles":"CC(C)[C@]1(O)CC[C@]2(C)C\\C=C(\\C)C[C@H](O)[C@@H]12","spectrum_id":"CCMSLIB00000851821","spectrum_index":3646},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179861-02_C15H26O2_1,8-Azulenediol, 1,2,3,3a,4,7,8,8a-octahydro-3a,6-dimethyl-1-(1-methylethyl)-, (1R,3aR,8S,8aS)-","exact_mass":238.193,"inchikey":"SUAPQGLGNKUSLY-LJISPDSOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.182465,"smiles":"CC(C)[C@]1(O)CC[C@]2(C)C\\C=C(\\C)C[C@H](O)[C@@H]12","spectrum_id":"CCMSLIB00000851823","spectrum_index":3647},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385033-01_C24H28O11_","exact_mass":492.163,"inchikey":"MTZOEZDNESUECO-VUIINJGZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.158752,"smiles":"CC/1=C(C(O)=O)/C(=C\\CO[C@@H]2O[C@H](COC(=O)\\C=C\\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)C(O)C1","spectrum_id":"CCMSLIB00000851825","spectrum_index":3648},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385036-01_C22H34N4O4_N-Methyl-N-[(2E,4E,6E)-2,4,6-octatrienoyl]valylalanylprolinamide","exact_mass":418.258,"inchikey":"FADHJFXHKLXQOJ-NRWMFWRASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.265076,"smiles":"C\\C=C\\C=C\\C=C\\C(=O)N(C)C(C(C)C)C(=O)NC(C)C(=O)N1CCCC1C(N)=O","spectrum_id":"CCMSLIB00000851827","spectrum_index":3649},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385036-01_C22H34N4O4_N-Methyl-N-[(2E,4E,6E)-2,4,6-octatrienoyl]valylalanylprolinamide","exact_mass":418.258,"inchikey":"FADHJFXHKLXQOJ-NRWMFWRASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.24707,"smiles":"C\\C=C\\C=C\\C=C\\C(=O)N(C)C(C(C)C)C(=O)NC(C)C(=O)N1CCCC1C(N)=O","spectrum_id":"CCMSLIB00000851829","spectrum_index":3650},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385037-01_C27H34O15_","exact_mass":598.19,"inchikey":"DHHMFNAGLVIOCZ-LVPKXVBFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":599.194824,"smiles":"COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@H]2O[C@@H](OC3O\\C=C(/C4C(O)CC(C)(O)C34)C(O)=O)[C@H](O)[C@@H](O)[C@@H]2O","spectrum_id":"CCMSLIB00000851831","spectrum_index":3651},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385038-01_C15H18O4_8-Hydroxy-5,8a-dimethyl-3-methylene-3,3a,4,4a,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2,7-dione","exact_mass":262.121,"inchikey":"XAFJIIZCMNHLRS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.127625,"smiles":"CC/1=C/C(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC12","spectrum_id":"CCMSLIB00000851833","spectrum_index":3652},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385039-01_C15H20O4_(6Z,10E)-4-Hydroxy-6-(hydroxymethyl)-10-methyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one","exact_mass":264.136,"inchikey":"IAYQFYAFBVYKJZ-DGEPIGJSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.132645,"smiles":"CC/1=C\\C2OC(=O)C(=C)C2C(O)C\\C(=C\\CC1)CO","spectrum_id":"CCMSLIB00000851835","spectrum_index":3653},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347654-02_C24H32O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-hydroxybenzoate","exact_mass":416.22,"inchikey":"CHQMIQBQLGDCJJ-AAGTZVQDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.228851,"smiles":"CC(C)[C@]1(O)C[C@H](OC(C)=O)[C@]2(C)C\\C=C(\\C)C[C@H](OC(=O)C3=CC=C(O)C=C3)[C@@H]12","spectrum_id":"CCMSLIB00000851837","spectrum_index":3654},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347654-02_C24H32O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-hydroxybenzoate","exact_mass":416.22,"inchikey":"CHQMIQBQLGDCJJ-AAGTZVQDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.218414,"smiles":"CC(C)[C@]1(O)C[C@H](OC(C)=O)[C@]2(C)C\\C=C(\\C)C[C@H](OC(=O)C3=CC=C(O)C=C3)[C@@H]12","spectrum_id":"CCMSLIB00000851839","spectrum_index":3655},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384598-01_C30H42O8_(1bS,4aR,7bS,8R,9R,9aS)-4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9a-[(2-methylbutanoyl)oxy]-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl (2E)-2-methyl-2-butenoate","exact_mass":530.288,"inchikey":"AKFIXMYXISUTAF-CKNBLZQJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":531.296936,"smiles":"CCC(C)C(=O)O[C@@]12[C@H](OC(=O)\\C(C)=C\\C)[C@@H](C)[C@@]3(O)[C@@H](\\C=C(CO)/C[C@@]4(O)C3\\C=C(C)/C4=O)C1C2(C)C","spectrum_id":"CCMSLIB00000851841","spectrum_index":3656},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384598-01_C30H42O8_(1bS,4aR,7bS,8R,9R,9aS)-4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9a-[(2-methylbutanoyl)oxy]-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl (2E)-2-methyl-2-butenoate","exact_mass":530.288,"inchikey":"AKFIXMYXISUTAF-CKNBLZQJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":513.286255,"smiles":"CCC(C)C(=O)O[C@@]12[C@H](OC(=O)\\C(C)=C\\C)[C@@H](C)[C@@]3(O)[C@@H](\\C=C(CO)/C[C@@]4(O)C3\\C=C(C)/C4=O)C1C2(C)C","spectrum_id":"CCMSLIB00000851843","spectrum_index":3657},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384598-01_C30H42O8_(1bS,4aR,7bS,8R,9R,9aS)-4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9a-[(2-methylbutanoyl)oxy]-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl (2E)-2-methyl-2-butenoate","exact_mass":530.288,"inchikey":"AKFIXMYXISUTAF-CKNBLZQJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.279053,"smiles":"CCC(C)C(=O)O[C@@]12[C@H](OC(=O)\\C(C)=C\\C)[C@@H](C)[C@@]3(O)[C@@H](\\C=C(CO)/C[C@@]4(O)C3\\C=C(C)/C4=O)C1C2(C)C","spectrum_id":"CCMSLIB00000851845","spectrum_index":3658},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384601-01_C42H70O12_(3beta,6alpha,9xi,12beta,20Z)-3,12-Dihydroxydammara-20(22),24-dien-6-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":766.487,"inchikey":"QOMBXPYXWGTFNR-CGLXOKCSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":767.492615,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]3C[C@]4(C)C(C[C@@H](O)[C@@H]5[C@H](CC[C@@]45C)\\C(C)=C/CC=C(C)C)[C@@]6(C)CC[C@H](O)C(C)(C)[C@H]36)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000851847","spectrum_index":3659},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384601-01_C42H70O12_(3beta,6alpha,9xi,12beta,20Z)-3,12-Dihydroxydammara-20(22),24-dien-6-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":766.487,"inchikey":"QOMBXPYXWGTFNR-CGLXOKCSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":789.473816,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]3C[C@]4(C)C(C[C@@H](O)[C@@H]5[C@H](CC[C@@]45C)\\C(C)=C/CC=C(C)C)[C@@]6(C)CC[C@H](O)C(C)(C)[C@H]36)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000851849","spectrum_index":3660},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384602-01_C21H36O10_(2E)-3,7-Dimethyl-2,6-octadien-1-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":448.231,"inchikey":"RFFYIBOJHUSIGD-PHDUQKSESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":466.266113,"smiles":"CC(C)=CCC\\C(C)=C\\CO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000851851","spectrum_index":3661},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384602-01_C21H36O10_(2E)-3,7-Dimethyl-2,6-octadien-1-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":448.231,"inchikey":"RFFYIBOJHUSIGD-PHDUQKSESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.221222,"smiles":"CC(C)=CCC\\C(C)=C\\CO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000851853","spectrum_index":3662},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384607-01_C20H22O6_11-Methyl-2,7-bis(methylene)-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradec-1(13)-en-9-yl (2Z)-2-methyl-2-butenoate","exact_mass":358.142,"inchikey":"BITFKDUCQOBZDL-POHAHGRESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.150909,"smiles":"C\\C=C(C)/C(=O)OC1CC2(C)OC(=C/C2=O)/C(=C)CC3OC(=O)C(=C)C13","spectrum_id":"CCMSLIB00000851855","spectrum_index":3663},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384607-01_C20H22O6_11-Methyl-2,7-bis(methylene)-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradec-1(13)-en-9-yl (2Z)-2-methyl-2-butenoate","exact_mass":358.142,"inchikey":"BITFKDUCQOBZDL-POHAHGRESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.177155,"smiles":"C\\C=C(C)/C(=O)OC1CC2(C)OC(=C/C2=O)/C(=C)CC3OC(=O)C(=C)C13","spectrum_id":"CCMSLIB00000851857","spectrum_index":3664},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384608-01_C41H66O12_4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.1~7,10~.1~16,19~.1~25,28~]tetracontane-3,12,21,30-tetrone, 5-ethyl-2,11,14,20,23,29,32-heptamethyl-, (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-","exact_mass":750.455,"inchikey":"YPUPRVWRYDPGCW-IDBRQATOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":751.462952,"smiles":"CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](C)C[C@H]4CC[C@H](O4)[C@H](C)C(=O)O[C@@H](C)C[C@@H]5CC[C@@H](O5)[C@@H](C)C(=O)O1","spectrum_id":"CCMSLIB00000851859","spectrum_index":3665},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Monactin (NCGC00384608-01_C41H66O12)","exact_mass":750.455,"inchikey":"YPUPRVWRYDPGCW-IDBRQATOSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":768.488403,"smiles":"CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](C)C[C@H]4CC[C@H](O4)[C@H](C)C(=O)O[C@@H](C)C[C@@H]5CC[C@@H](O5)[C@@H](C)C(=O)O1","spectrum_id":"CCMSLIB00000851861","spectrum_index":3666},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384608-01_C41H66O12_4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.1~7,10~.1~16,19~.1~25,28~]tetracontane-3,12,21,30-tetrone, 5-ethyl-2,11,14,20,23,29,32-heptamethyl-, (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-","exact_mass":750.455,"inchikey":"YPUPRVWRYDPGCW-IDBRQATOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":773.445435,"smiles":"CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](C)C[C@H]4CC[C@H](O4)[C@H](C)C(=O)O[C@@H](C)C[C@@H]5CC[C@@H](O5)[C@@H](C)C(=O)O1","spectrum_id":"CCMSLIB00000851863","spectrum_index":3667},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384608-01_C41H66O12_4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.1~7,10~.1~16,19~.1~25,28~]tetracontane-3,12,21,30-tetrone, 5-ethyl-2,11,14,20,23,29,32-heptamethyl-, (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-","exact_mass":750.455,"inchikey":"YPUPRVWRYDPGCW-IDBRQATOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":789.417969,"smiles":"CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](C)C[C@H]4CC[C@H](O4)[C@H](C)C(=O)O[C@@H](C)C[C@@H]5CC[C@@H](O5)[C@@H](C)C(=O)O1","spectrum_id":"CCMSLIB00000851865","spectrum_index":3668},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384610-01_C48H76O18_Olean-12-en-28-oic acid, 3-[[O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranuronosyl]oxy]-, (3beta,5xi,9xi,18xi)-","exact_mass":940.503,"inchikey":"HRDMCVCODUFPBQ-YULPUZKJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":941.508118,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4C\\C=C/6C7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(O)=O)C3(C)C)[C@@H]2O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000851867","spectrum_index":3669},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384610-01_C48H76O18_Olean-12-en-28-oic acid, 3-[[O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranuronosyl]oxy]-, (3beta,5xi,9xi,18xi)-","exact_mass":940.503,"inchikey":"HRDMCVCODUFPBQ-YULPUZKJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":963.488892,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4C\\C=C/6C7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(O)=O)C3(C)C)[C@@H]2O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000851869","spectrum_index":3670},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384613-01_C25H40O5_(5beta,8alpha,9beta,10alpha,13alpha,16beta)-16-Hydroxy-17-[(3-methylbutanoyl)oxy]kauran-18-oic acid","exact_mass":420.288,"inchikey":"FIOZUJXSEZUYCS-MTSAZYMTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.286407,"smiles":"CC(C)CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(O)=O)[C@@H]2CC[C@@H]1C3","spectrum_id":"CCMSLIB00000851871","spectrum_index":3671},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179940-02_C39H64O13_beta-D-Glucopyranoside, 3,23-dihydroxyspirostan-6-yl 6-deoxy-4-O-(6-deoxy-alpha-L-mannopyranosyl)-","exact_mass":740.435,"inchikey":"FLSPBPZSXFDRFE-HHQDNIDLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":741.444824,"smiles":"CC1COC2(OC3CC4C5CC(O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)C8CC(O)CCC8(C)C5CCC4(C)C3C2C)C(O)C1","spectrum_id":"CCMSLIB00000851873","spectrum_index":3672},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179940-02_C39H64O13_beta-D-Glucopyranoside, 3,23-dihydroxyspirostan-6-yl 6-deoxy-4-O-(6-deoxy-alpha-L-mannopyranosyl)-","exact_mass":740.435,"inchikey":"FLSPBPZSXFDRFE-HHQDNIDLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":723.433777,"smiles":"CC1COC2(OC3CC4C5CC(O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)C8CC(O)CCC8(C)C5CCC4(C)C3C2C)C(O)C1","spectrum_id":"CCMSLIB00000851875","spectrum_index":3673},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381230-01_C34H42O11_7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, alpha-(acetyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-11-hydroxy-4a,7,9,9-tetramethyl-10-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2,13-dioxo-, methyl ester","exact_mass":626.273,"inchikey":"WTAMGABZURYMPQ-RQZCQDPDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":627.28302,"smiles":"COC(=O)C(OC(C)=O)C1C(C)(C)C(OC(=O)\\C(C)=C\\C)C2(O)CC/3=C/4CC(=O)OC(C5=COC=C5)C4(C)CCC3C1(C)C2=O","spectrum_id":"CCMSLIB00000851877","spectrum_index":3674},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381230-01_C34H42O11_7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, alpha-(acetyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-11-hydroxy-4a,7,9,9-tetramethyl-10-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2,13-dioxo-, methyl ester","exact_mass":626.273,"inchikey":"WTAMGABZURYMPQ-RQZCQDPDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":644.309448,"smiles":"COC(=O)C(OC(C)=O)C1C(C)(C)C(OC(=O)\\C(C)=C\\C)C2(O)CC/3=C/4CC(=O)OC(C5=COC=C5)C4(C)CCC3C1(C)C2=O","spectrum_id":"CCMSLIB00000851879","spectrum_index":3675},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381230-01_C34H42O11_7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, alpha-(acetyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-11-hydroxy-4a,7,9,9-tetramethyl-10-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2,13-dioxo-, methyl ester","exact_mass":626.273,"inchikey":"WTAMGABZURYMPQ-RQZCQDPDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":649.264709,"smiles":"COC(=O)C(OC(C)=O)C1C(C)(C)C(OC(=O)\\C(C)=C\\C)C2(O)CC/3=C/4CC(=O)OC(C5=COC=C5)C4(C)CCC3C1(C)C2=O","spectrum_id":"CCMSLIB00000851881","spectrum_index":3676},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381233-01_C21H28O12_alpha-D-Glucopyranoside, 4-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-beta-D-fructofuranosyl","exact_mass":472.158,"inchikey":"AKARZXADDNXORH-WQVLWSBKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":495.150391,"smiles":"OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)\\C=C\\C3=CC=CC=C3)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000851883","spectrum_index":3677},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381234-01_C48H74O19_6-Deoxyhexopyranosyl-(1->4)-[hexopyranosyl-(1->6)]-1-O-[27-hydroxy-3,27,28-trioxolup-20(29)-en-28-yl]hexopyranose","exact_mass":954.482,"inchikey":"LSHAJDRFVTXNOB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":955.491272,"smiles":"CC1OC(OC2C(O)C(O)C(OC2COC3OC(CO)C(O)C(O)C3O)OC(=O)C45CCC(C4C6CCC7C8(C)CCC(=O)C(C)(C)C8CCC7(C)C6(CC5)C(O)=O)C(C)=C)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000851885","spectrum_index":3678},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381234-01_C48H74O19_6-Deoxyhexopyranosyl-(1->4)-[hexopyranosyl-(1->6)]-1-O-[27-hydroxy-3,27,28-trioxolup-20(29)-en-28-yl]hexopyranose","exact_mass":954.482,"inchikey":"LSHAJDRFVTXNOB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":972.517578,"smiles":"CC1OC(OC2C(O)C(O)C(OC2COC3OC(CO)C(O)C(O)C3O)OC(=O)C45CCC(C4C6CCC7C8(C)CCC(=O)C(C)(C)C8CCC7(C)C6(CC5)C(O)=O)C(C)=C)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000851887","spectrum_index":3679},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381234-01_C48H74O19_6-Deoxyhexopyranosyl-(1->4)-[hexopyranosyl-(1->6)]-1-O-[27-hydroxy-3,27,28-trioxolup-20(29)-en-28-yl]hexopyranose","exact_mass":954.482,"inchikey":"LSHAJDRFVTXNOB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":977.472778,"smiles":"CC1OC(OC2C(O)C(O)C(OC2COC3OC(CO)C(O)C(O)C3O)OC(=O)C45CCC(C4C6CCC7C8(C)CCC(=O)C(C)(C)C8CCC7(C)C6(CC5)C(O)=O)C(C)=C)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000851889","spectrum_index":3680},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381237-01_C20H26O7_Butanoic acid, 2-methyl-, (3aS,6R,7S,8S,8aR)-octahydro-7-hydroxy-6-methyl-3-methylene-2,5-dioxo-7-[(2E)-1-oxo-2-buten-1-yl]-2H-cyclohepta[b]furan-8-yl ester","exact_mass":378.168,"inchikey":"DFGOIVFBKDWNBI-QXFWGQDYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.178314,"smiles":"CCC(C)C(=O)O[C@H]1[C@@H]2OC(=O)C(=C)[C@@H]2CC(=O)[C@H](C)[C@@]1(O)C(=O)/C=C/C","spectrum_id":"CCMSLIB00000851891","spectrum_index":3681},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381238-01_C31H47NO8_2-[(2E,5E,7E,11E)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4-pyridinyl 6-deoxy-alpha-L-mannopyranoside","exact_mass":561.33,"inchikey":"ZIBGPNICZWZARG-HTENHSRISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":562.340698,"smiles":"COC1=C(OC)C(=C(C)C(=N1)C\\C=C(C)\\C\\C=C\\C(C)=C\\C(C)C(O)\\C(C)=C\\C)O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000851893","spectrum_index":3682},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381238-01_C31H47NO8_2-[(2E,5E,7E,11E)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4-pyridinyl 6-deoxy-alpha-L-mannopyranoside","exact_mass":561.33,"inchikey":"ZIBGPNICZWZARG-HTENHSRISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":584.322144,"smiles":"COC1=C(OC)C(=C(C)C(=N1)C\\C=C(C)\\C\\C=C\\C(C)=C\\C(C)C(O)\\C(C)=C\\C)O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000851895","spectrum_index":3683},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381378-01_C20H30O4_1,10a-Dihydroxy-4,4,7,11b-tetramethyl-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-9(1H)-one","exact_mass":334.214,"inchikey":"PUFYSEQCTZERQM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.223083,"smiles":"CC\\1C2CCC3C(C)(C)CCC(O)C3(C)C2CC4(O)OC(=O)/C=C14","spectrum_id":"CCMSLIB00000851897","spectrum_index":3684},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381378-01_C20H30O4_1,10a-Dihydroxy-4,4,7,11b-tetramethyl-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-9(1H)-one","exact_mass":334.214,"inchikey":"PUFYSEQCTZERQM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.211334,"smiles":"CC\\1C2CCC3C(C)(C)CCC(O)C3(C)C2CC4(O)OC(=O)/C=C14","spectrum_id":"CCMSLIB00000851899","spectrum_index":3685},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381379-01_C15H22O2_(4aR,5R,6R)-6-Hydroxy-3-isopropylidene-4a,5-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone","exact_mass":234.162,"inchikey":"TVDMUSYVWJLIDK-PSOPSSQASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.170029,"smiles":"C[C@H]1[C@H](O)CC\\C2=C\\C(=O)C(C[C@]12C)=C(C)C","spectrum_id":"CCMSLIB00000851901","spectrum_index":3686},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381381-01_C15H22O6_(3beta,4alpha,8alpha)-12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol","exact_mass":298.142,"inchikey":"ZAXZBJSXSOISTF-LYFQSNBGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.139191,"smiles":"CC/1=C/[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@](C)([C@@]2(CO)C[C@@H]1O)[C@]34CO4","spectrum_id":"CCMSLIB00000851903","spectrum_index":3687},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381382-01_C14H14N2O4_Cyclohepta[b]pyrrole-3-propanoic acid, alpha-(acetylamino)-1,4-dihydro-4-oxo-","exact_mass":274.095,"inchikey":"BNQKFYXFHDIERD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.10379,"smiles":"CC(=O)NC(CC1=C[NH]C/2=C1C(=O)\\C=C/C=C2)C(O)=O","spectrum_id":"CCMSLIB00000851905","spectrum_index":3688},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381385-01_C16H22O4_","exact_mass":278.152,"inchikey":"DCLHFFDLHGUMDU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.160126,"smiles":"COC\\12CC3(C)CCC(O)C(=C)C3CC1=C(C)/C(=O)O2","spectrum_id":"CCMSLIB00000851907","spectrum_index":3689},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381391-01_C11H22O3_1-(2-Hydroxyethyl)-2,2,6-trimethyl-1,4-cyclohexanediol","exact_mass":202.157,"inchikey":"QXUANCZURDYUIT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":203.164658,"smiles":"CC1CC(O)CC(C)(C)C1(O)CCO","spectrum_id":"CCMSLIB00000851909","spectrum_index":3690},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381391-01_C11H22O3_1-(2-Hydroxyethyl)-2,2,6-trimethyl-1,4-cyclohexanediol","exact_mass":202.157,"inchikey":"QXUANCZURDYUIT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":185.153961,"smiles":"CC1CC(O)CC(C)(C)C1(O)CCO","spectrum_id":"CCMSLIB00000851911","spectrum_index":3691},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179906-03_C31H50O10_3-(alpha-L-Arabinofuranosyloxy)pimara-8(14),15-dien-12-yl 6-deoxy-beta-D-galactopyranoside","exact_mass":582.34,"inchikey":"LABWQTNVUKYYIP-ANNCGNFZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":583.350403,"smiles":"C[C@H]1O[C@@H](OC2CC3\\C(=C/C2(C)C=C)CCC4C(C)(C)C(CCC34C)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@H](O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000851913","spectrum_index":3692},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347772-02_C26H30O8_4aH-Phenanthro[2,1-c]pyran-4a-carboxylic acid, 1,3,4,4b,5,7,8,10a,10b,11,12,12a-dodecahydro-6-hydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-, methyl ester, (4bR,10aR,12aS)-","exact_mass":470.194,"inchikey":"NETXGRNQKFELFY-ASUBUDITSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.204346,"smiles":"COC(=O)C12C(=O)C(C)OC(=O)[C@@]1(C)C(=C)CC3[C@@]/4(C)\\C=C/C(=O)C(C)(C)C4=C(/O)C(=O)[C@@]23C","spectrum_id":"CCMSLIB00000851915","spectrum_index":3693},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00373238-02_C33H47NO13_Delvocid","exact_mass":665.305,"inchikey":"NCXMLFZGDNKEPB-FFPOYIOWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":666.315002,"smiles":"C[C@@H]1C\\C=C\\C=C\\C=C\\C=C\\[C@@H](C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3\\C=C\\C(=O)O1)C[C@H](O)[C@H]2C(O)=O)O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O","spectrum_id":"CCMSLIB00000851917","spectrum_index":3694},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380844-01_C19H25NO10_beta-D-Glucopyranoside, 1H-indol-3-yl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":427.148,"inchikey":"PCEVWHNBXIFFPJ-OTCFHACESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":428.157166,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OC3=C[NH]C4=CC=CC=C34)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000851919","spectrum_index":3695},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380844-01_C19H25NO10_beta-D-Glucopyranoside, 1H-indol-3-yl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":427.148,"inchikey":"PCEVWHNBXIFFPJ-OTCFHACESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.140289,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OC3=C[NH]C4=CC=CC=C34)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000851921","spectrum_index":3696},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380849-01_C28H34O8_(2E,4E)-1-{(1R,3S,7S,8R,10S)-12-[(4E)-4-Hexenoyl]-1,6,8,13-tetrahydroxy-3,7,10,14-tetramethyl-2,9-dioxapentacyclo[8.4.0.0~3,8~.0~4,14~.0~7,11~]tetradeca-5,12-dien-5-yl}-2,4-hexadien-1-one","exact_mass":498.225,"inchikey":"AWAWQVBWAWCQSJ-IMZYPISCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.235596,"smiles":"C/C=C/CCC(=O)C/1=C(O)/C2(C)C3\\C(=C(O)/[C@]4(C)C1[C@]5(C)O[C@@]4(O)[C@@]3(C)O[C@]25O)C(=O)\\C=C\\C=C\\C","spectrum_id":"CCMSLIB00000851924","spectrum_index":3697},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169096-02_C36H58O10_beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,9xi,18xi)-2,3,19-trihydroxy-28-oxours-12-en-28-yl]-","exact_mass":650.403,"inchikey":"MLKQAGPAYHTNQQ-UJKXLRNUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":668.440125,"smiles":"C[C@@H]1CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000851925","spectrum_index":3698},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169096-02_C36H58O10_beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,9xi,18xi)-2,3,19-trihydroxy-28-oxours-12-en-28-yl]-","exact_mass":650.403,"inchikey":"MLKQAGPAYHTNQQ-UJKXLRNUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":673.394592,"smiles":"C[C@@H]1CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000851927","spectrum_index":3699},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347588-02_C19H18O5_1-[2-(1,3-Benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]-1,2-propanediol","exact_mass":326.115,"inchikey":"BAUXUWNOTMKKET-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.152191,"smiles":"CC(O)C(O)C1=CC=C2OC(=C(C)C2=C1)C3=CC=C4OCOC4=C3","spectrum_id":"CCMSLIB00000851929","spectrum_index":3700},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381292-01_C42H66O19_Cardanolide, 18,20-epoxy-3-[[O-hexopyranosyl-(1->4)-O-hexopyranosyl-(1->4)-6-deoxy-3-O-methyl-alpha-L-mannopyranosyl]oxy]-14-hydroxy-, (3beta,8xi,9xi,14xi,17xi,20xi)-","exact_mass":874.42,"inchikey":"ZHNZMTIAIBWJJB-KLULDUBUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":875.427002,"smiles":"CO[C@H]1[C@@H](O)[C@@H](O[C@@H](C)[C@@H]1OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)O[C@H]4CC[C@@]5(C)C(CCC6C5CC[C@]78COC9(COC(=O)C9)C7CCC68O)C4","spectrum_id":"CCMSLIB00000851931","spectrum_index":3701},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381292-01_C42H66O19_Cardanolide, 18,20-epoxy-3-[[O-hexopyranosyl-(1->4)-O-hexopyranosyl-(1->4)-6-deoxy-3-O-methyl-alpha-L-mannopyranosyl]oxy]-14-hydroxy-, (3beta,8xi,9xi,14xi,17xi,20xi)-","exact_mass":874.42,"inchikey":"ZHNZMTIAIBWJJB-KLULDUBUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":897.410156,"smiles":"CO[C@H]1[C@@H](O)[C@@H](O[C@@H](C)[C@@H]1OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)O[C@H]4CC[C@@]5(C)C(CCC6C5CC[C@]78COC9(COC(=O)C9)C7CCC68O)C4","spectrum_id":"CCMSLIB00000851933","spectrum_index":3702},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381293-01_C55H92O24_Hexopyranoside, (3beta,9xi,11alpha,12beta,14beta,20S)-8,11,12,14,20-pentahydroxypregn-5-en-3-yl O-hexopyranosyl-(1->4)-O--6-deoxy-3-O-methylhexopyranosyl-(1->4)-O--2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-O--2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-","exact_mass":1136.6,"inchikey":"FZAVQTYIBVEBHF-IBWWKVRASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1137.605347,"smiles":"COC1CC(O[C@H]2CC[C@]3(C)C4[C@H](O)[C@@H](O)[C@]5(C)[C@H](CC[C@]5(O)[C@]4(O)C\\C=C3\\C2)[C@H](C)O)OC(C)C1OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6","spectrum_id":"CCMSLIB00000851935","spectrum_index":3703},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381294-01_C86H128O42_Hexopyranose, 1-O-[3-[[O--4,6-di-O-acetyl-2-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]hexopyranosyl-(1->4)-O-pentopyranosyl-(1->4)-O-pentopyranosyl-(1->2)-O-pentopyranosyl-(1->4)hexopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-28-yl]-2-O-[4-O-[tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]pentopyranosyl]-","exact_mass":1832.79,"inchikey":"QPNUGFQLBMFLFT-OBGWFSINSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1833.805542,"smiles":"CC(=O)OCC1OC(OC2COC(OC3COC(OC4C(O)C(O)COC4OC5C(O)C(O)C(OC5CO)OC6CCC7(C)C(CCC8(C)C7C\\C=C/9C%10CC(C)(C)CCC%10(C(O)CC89C)C(=O)OC%11OC(CO)C(O)C(O)C%11OC%12OCC(OC%13OCC(O)(CO)C%13O)C(O)C%12O)C6(C)C)C(O)C3O)C(O)C2O)C(OC(=O)\\C=C\\C%14=CC=CC=C%14)C(O)C1OC(C)=O","spectrum_id":"CCMSLIB00000851938","spectrum_index":3704},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381297-01_C29H42O9_Carda-5,20(22)-dienolide, 3-(beta-D-glucopyranosyloxy)-14-hydroxy-, (3beta,9xi)-","exact_mass":534.283,"inchikey":"ZSBANYQFXZZUDM-ZNIFQBPJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.293518,"smiles":"C[C@]12CC[C@@H](C\\C1=C\\C[C@@H]3C2CC[C@]4(C)[C@H](CC[C@]34O)/C5=C/C(=O)OC5)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000851939","spectrum_index":3705},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381300-01_C21H19ClO6_[5-(Benzoyloxy)-3-chloro-4,6-dihydroxy-1-cyclohexen-1-yl]methyl benzoate","exact_mass":402.087,"inchikey":"QUOOWFYEPMIYFF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.097565,"smiles":"OC1C(Cl)\\C=C(COC(=O)C2=CC=CC=C2)/C(O)C1OC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000851942","spectrum_index":3706},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381300-01_C21H19ClO6_[5-(Benzoyloxy)-3-chloro-4,6-dihydroxy-1-cyclohexen-1-yl]methyl benzoate","exact_mass":402.087,"inchikey":"QUOOWFYEPMIYFF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.079468,"smiles":"OC1C(Cl)\\C=C(COC(=O)C2=CC=CC=C2)/C(O)C1OC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000851943","spectrum_index":3707},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169365-03_C25H32O8_5H-Furo[3,4-i]oxepino[4,3-a]xanthene-3,12-dione, 1,2,5a,6,7,7a,10,14,14a,14b-decahydro-5a,6-dihydroxy-13-methoxy-5,5,7a,9,14b-pentamethyl-","exact_mass":460.21,"inchikey":"ZVTVYIVILDSYIK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.216705,"smiles":"COC1=C2CC3C(C)(CC(O)C4(O)C(C)(C)OC(=O)CCC34C)OC2=C(C)C5=C1C(=O)OC5","spectrum_id":"CCMSLIB00000851945","spectrum_index":3708},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179768-02_C19H20O7_2H-Benz[1,2]anthra[10,4a-b]oxirene-7,8(3H,12bH)-dione, 3a,4,5,6,7a,7b-hexahydro-2,3a,7b,12-tetrahydroxy-5-methyl-","exact_mass":360.121,"inchikey":"FXOBIDROVMXPBW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.128296,"smiles":"CC1CC(=O)C2C(O)(C1)CC(O)C34OC3C5=C(C=CC=C5O)C(=O)C24O","spectrum_id":"CCMSLIB00000851947","spectrum_index":3709},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179768-02_C19H20O7_2H-Benz[1,2]anthra[10,4a-b]oxirene-7,8(3H,12bH)-dione, 3a,4,5,6,7a,7b-hexahydro-2,3a,7b,12-tetrahydroxy-5-methyl-","exact_mass":360.121,"inchikey":"FXOBIDROVMXPBW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.117798,"smiles":"CC1CC(=O)C2C(O)(C1)CC(O)C34OC3C5=C(C=CC=C5O)C(=O)C24O","spectrum_id":"CCMSLIB00000851949","spectrum_index":3710},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380380-01_C19H34O8_6-Hydroxy-3-[(1E)-3-hydroxy-1-buten-1-yl]-2,4,4-trimethylcyclohexyl beta-D-glucopyranoside","exact_mass":390.225,"inchikey":"FPWYMVMNRFRHQC-BVWWHRDXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.233063,"smiles":"CC(O)/C=C/C1C(C)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)CC1(C)C","spectrum_id":"CCMSLIB00000851951","spectrum_index":3711},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380380-01_C19H34O8_6-Hydroxy-3-[(1E)-3-hydroxy-1-buten-1-yl]-2,4,4-trimethylcyclohexyl beta-D-glucopyranoside","exact_mass":390.225,"inchikey":"FPWYMVMNRFRHQC-BVWWHRDXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.214722,"smiles":"CC(O)/C=C/C1C(C)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)CC1(C)C","spectrum_id":"CCMSLIB00000851953","spectrum_index":3712},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380381-01_C24H27NO9_","exact_mass":473.169,"inchikey":"YOTVUKXKJYRTAR-NAJYVHOLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":474.175812,"smiles":"O[C@H]1[C@H](O)[C@@H](COC(=O)CC2C(=O)NC3=C2C=CC=C3)O[C@@H](OCCC4=CC=C(O)C=C4)[C@@H]1O","spectrum_id":"CCMSLIB00000851955","spectrum_index":3713},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380381-01_C24H27NO9_","exact_mass":473.169,"inchikey":"YOTVUKXKJYRTAR-NAJYVHOLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":491.202637,"smiles":"O[C@H]1[C@H](O)[C@@H](COC(=O)CC2C(=O)NC3=C2C=CC=C3)O[C@@H](OCCC4=CC=C(O)C=C4)[C@@H]1O","spectrum_id":"CCMSLIB00000851957","spectrum_index":3714},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380381-01_C24H27NO9_","exact_mass":473.169,"inchikey":"YOTVUKXKJYRTAR-NAJYVHOLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":496.157562,"smiles":"O[C@H]1[C@H](O)[C@@H](COC(=O)CC2C(=O)NC3=C2C=CC=C3)O[C@@H](OCCC4=CC=C(O)C=C4)[C@@H]1O","spectrum_id":"CCMSLIB00000851960","spectrum_index":3715},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380382-01_C23H30O7_1-Phenanthrenecarboxylic acid, 10-(acetyloxy)-1,2,3,4,4a,9,10,10a-octahydro-5,9-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-4-oxo-, methyl ester","exact_mass":418.199,"inchikey":"PRXFPPAVWQDTHT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.196014,"smiles":"COC(=O)C1(C)CCC(=O)C2(C)C1C(OC(C)=O)C(O)C3=C2C(=CC(=C3)C(C)C)O","spectrum_id":"CCMSLIB00000851961","spectrum_index":3716},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380382-01_C23H30O7_1-Phenanthrenecarboxylic acid, 10-(acetyloxy)-1,2,3,4,4a,9,10,10a-octahydro-5,9-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-4-oxo-, methyl ester","exact_mass":418.199,"inchikey":"PRXFPPAVWQDTHT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":436.232391,"smiles":"COC(=O)C1(C)CCC(=O)C2(C)C1C(OC(C)=O)C(O)C3=C2C(=CC(=C3)C(C)C)O","spectrum_id":"CCMSLIB00000851964","spectrum_index":3717},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380390-01_C22H26O6_Naphtho[1,2-c]furan-3(1H)-one, 5-(benzoyloxy)-5,5a,6,7,8,9,9a,9b-octahydro-9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-","exact_mass":386.173,"inchikey":"BHSDLJXQKBYFNH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.169312,"smiles":"CC1(CO)CCCC2(C)C1C(OC(=O)C3=CC=CC=C3)\\C=C/4C(=O)OCC24O","spectrum_id":"CCMSLIB00000851965","spectrum_index":3718},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169206-02_C22H32O6_1-Naphthalenecarboxylic acid, 1,2,3,4,4a,5,8,8a-octahydro-1,4a,6-trimethyl-5-[(2,3,5-trihydroxy-4-methylene-7-oxabicyclo[4.1.0]hept-1-yl)methyl]-","exact_mass":392.22,"inchikey":"DXQHDILKRYSUPK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.180389,"smiles":"C\\C1=C\\CC2C(C)(CCCC2(C)C(O)=O)C1CC34OC3C(O)C(=C)C(O)C4O","spectrum_id":"CCMSLIB00000851967","spectrum_index":3719},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347683-02_C42H66O16_6-O-beta-D-Glucopyranosyl-1-O-[(3beta,5xi,9xi)-3,19,24-trihydroxy-24,28-dioxours-12-en-28-yl]-beta-D-glucopyranose","exact_mass":826.435,"inchikey":"LCQFYEBJTAIMPC-PVSIORMYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":827.440552,"smiles":"C[C@@H]1CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O)[C@@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000851969","spectrum_index":3720},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347683-02_C42H66O16_6-O-beta-D-Glucopyranosyl-1-O-[(3beta,5xi,9xi)-3,19,24-trihydroxy-24,28-dioxours-12-en-28-yl]-beta-D-glucopyranose","exact_mass":826.435,"inchikey":"LCQFYEBJTAIMPC-PVSIORMYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":844.466614,"smiles":"C[C@@H]1CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O)[C@@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000851971","spectrum_index":3721},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380706-01_C20H26O6_(2'R,3R,4'R,4a'R,5S,8a'S)-5-(3-Furyl)-4'-hydroxy-4a',5'-bis(hydroxymethyl)-2'-methyl-3',4,4',4a',5,7',8',8a'-octahydro-2'H-spiro[furan-3,1'-naphthalen]-2-one","exact_mass":362.173,"inchikey":"GLNIOASGXMEGTM-LTPBQMFOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.181366,"smiles":"C[C@@H]1C[C@@H](O)[C@]\\2(CO)[C@H](CC\\C=C2CO)[C@@]13C[C@H](OC3=O)C4=COC=C4","spectrum_id":"CCMSLIB00000851973","spectrum_index":3722},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380706-01_C20H26O6_(2'R,3R,4'R,4a'R,5S,8a'S)-5-(3-Furyl)-4'-hydroxy-4a',5'-bis(hydroxymethyl)-2'-methyl-3',4,4',4a',5,7',8',8a'-octahydro-2'H-spiro[furan-3,1'-naphthalen]-2-one","exact_mass":362.173,"inchikey":"GLNIOASGXMEGTM-LTPBQMFOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.170776,"smiles":"C[C@@H]1C[C@@H](O)[C@]\\2(CO)[C@H](CC\\C=C2CO)[C@@]13C[C@H](OC3=O)C4=COC=C4","spectrum_id":"CCMSLIB00000851975","spectrum_index":3723},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380707-01_C26H42O11_(5xi,6alpha,7alpha,9xi,16xi)-16-(beta-D-Glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic acid","exact_mass":530.273,"inchikey":"QUCGBWQRLWOVBR-BBJJSLPGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.261841,"smiles":"C[C@]12CCC[C@@](C)(C1[C@@H](O)[C@@H](O)C34CC(CCC23)C(CO)(C4)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(O)=O","spectrum_id":"CCMSLIB00000851977","spectrum_index":3724},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380709-01_C32H36N2O5_(3S,3aR,4S,6S,6aR,7E,10S,11Z,13R,15E,17aR)-6,13-Dihydroxy-3-(1H-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylene-2,3,3a,4,5,6,6a,9,10,13-decahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione","exact_mass":528.262,"inchikey":"FTBNYQWFSWKCKW-MRSLDMDQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":529.270203,"smiles":"C[C@H]\\1C/C=C/[C@H]2[C@H](O)C(=C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=C4C=CC=C5)NC(=O)[C@@]23C(=O)\\C=C\\C(=O)[C@H](O)\\C(=C1)C","spectrum_id":"CCMSLIB00000851979","spectrum_index":3725},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380709-01_C32H36N2O5_(3S,3aR,4S,6S,6aR,7E,10S,11Z,13R,15E,17aR)-6,13-Dihydroxy-3-(1H-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylene-2,3,3a,4,5,6,6a,9,10,13-decahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione","exact_mass":528.262,"inchikey":"FTBNYQWFSWKCKW-MRSLDMDQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":546.296814,"smiles":"C[C@H]\\1C/C=C/[C@H]2[C@H](O)C(=C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=C4C=CC=C5)NC(=O)[C@@]23C(=O)\\C=C\\C(=O)[C@H](O)\\C(=C1)C","spectrum_id":"CCMSLIB00000851981","spectrum_index":3726},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380711-01_C32H44O12_Propanoic acid, 2-methyl-, (3S,3aR,4R,6S,7R,10E,12R,13aR)-3,4,6,13a-tetrakis(acetyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2,9,9,12-tetramethyl-5-methylene-8,13-dioxo-1H-cyclopentacyclododecen-7-yl ester","exact_mass":620.283,"inchikey":"NOFXXAHHOJWYAL-FFSKSLCISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":638.317139,"smiles":"CC(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)C(C)C[C@]2(OC(C)=O)C(=O)[C@H](C)\\C=C\\C(C)(C)C1=O","spectrum_id":"CCMSLIB00000851984","spectrum_index":3727},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347741-02_C36H42O19_Methyl (1S,4aS,7R,7aS)-1-(hexopyranosyloxy)-4'-[(1S)-1-({(2E)-3-[4-(hexopyranosyloxy)phenyl]-2-propenoyl}oxy)ethyl]-5'-oxo-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate","exact_mass":778.232,"inchikey":"AFYIWKNGSIYXCQ-WUTGLCBUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":779.242554,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1\\C=C/[C@@]3\\4OC(=O)\\C(=C4)[C@H](C)OC(=O)\\C=C\\C5=CC=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C=C5","spectrum_id":"CCMSLIB00000851985","spectrum_index":3728},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347741-02_C36H42O19_Methyl (1S,4aS,7R,7aS)-1-(hexopyranosyloxy)-4'-[(1S)-1-({(2E)-3-[4-(hexopyranosyloxy)phenyl]-2-propenoyl}oxy)ethyl]-5'-oxo-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate","exact_mass":778.232,"inchikey":"AFYIWKNGSIYXCQ-WUTGLCBUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":801.224731,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1\\C=C/[C@@]3\\4OC(=O)\\C(=C4)[C@H](C)OC(=O)\\C=C\\C5=CC=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C=C5","spectrum_id":"CCMSLIB00000851987","spectrum_index":3729},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385306-01_C21H23NO5_","exact_mass":369.158,"inchikey":"UVACAWVKXUAPRQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.19516,"smiles":"COC1=C(O)C=C2C(=C1)CCN(C)C3C4=C(CC23OC)C=CC5=C4OCO5","spectrum_id":"CCMSLIB00000851989","spectrum_index":3730},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385308-01_C26H38O10_","exact_mass":510.246,"inchikey":"VEAPYXJUYPETEO-GGOVYHONSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":511.258087,"smiles":"CC1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)CCC3(C)C1CCC(=C)C3C(=O)C/C4=C/COC4=O","spectrum_id":"CCMSLIB00000851991","spectrum_index":3731},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015088-09_C12H14N2O_N-[2-(1H-Indol-3-yl)ethyl]acetamide","exact_mass":202.111,"inchikey":"NVUGEQAEQJTCIX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":203.119446,"smiles":"CC(=O)NCCC1=C[NH]C2=C1C=CC=C2","spectrum_id":"CCMSLIB00000851993","spectrum_index":3732},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015088-09_C12H14N2O_N-[2-(1H-Indol-3-yl)ethyl]acetamide","exact_mass":202.111,"inchikey":"NVUGEQAEQJTCIX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":225.101624,"smiles":"CC(=O)NCCC1=C[NH]C2=C1C=CC=C2","spectrum_id":"CCMSLIB00000851995","spectrum_index":3733},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180381-03_C20H24O7_2-Butenoic acid, 2-methyl-, (1aR,1bS,2aS,4R,4aS,7aR,8S)-dodecahydro-4-hydroxy-9a-methyl-3,7-bis(methylene)-6-oxobisoxireno[5,6:7,8]cyclodeca[1,2-b]furan-8-yl ester, (2Z)-","exact_mass":376.152,"inchikey":"RKAXEWSQYMGBAP-UVEFBYLCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.189575,"smiles":"C\\C=C(\\C)C(=O)O[C@H]1C[C@]2(C)O[C@@H]2[C@H]3O[C@H]3C(=C)[C@@H](O)[C@H]4OC(=O)C(=C)[C@H]14","spectrum_id":"CCMSLIB00000851997","spectrum_index":3734},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385659-01_C20H36O2_1-Naphthalenepentanol, decahydro-6-hydroxy-gamma,5,5,8a-tetramethyl-2-methylene-","exact_mass":308.272,"inchikey":"ZORMCMFEBIUIRM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.281555,"smiles":"CC(CCO)CCC1C(=C)CCC2C(C)(C)C(O)CCC12C","spectrum_id":"CCMSLIB00000851999","spectrum_index":3735},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385675-01_C40H62O15_","exact_mass":782.409,"inchikey":"QMSHPPRVWMLFFL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":783.417236,"smiles":"CC1OC(OC2C(O)C(O)C(OC3CC(O)C4(C)C5CCC6(C)C(CCC6C5C7OC7C4(O)C3)C(C)C8C\\C(=C(C)/C(=O)O8)C)OC2CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852001","spectrum_index":3736},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385675-01_C40H62O15_","exact_mass":782.409,"inchikey":"QMSHPPRVWMLFFL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":800.444275,"smiles":"CC1OC(OC2C(O)C(O)C(OC3CC(O)C4(C)C5CCC6(C)C(CCC6C5C7OC7C4(O)C3)C(C)C8C\\C(=C(C)/C(=O)O8)C)OC2CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852003","spectrum_index":3737},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385675-01_C40H62O15_","exact_mass":782.409,"inchikey":"QMSHPPRVWMLFFL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":805.399475,"smiles":"CC1OC(OC2C(O)C(O)C(OC3CC(O)C4(C)C5CCC6(C)C(CCC6C5C7OC7C4(O)C3)C(C)C8C\\C(=C(C)/C(=O)O8)C)OC2CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852006","spectrum_index":3738},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385841-01_C15H20O3_2H-Cyclopropa[f]benzofuran-2-one, octahydro-5a-methyl-3-methylene-5-(3-oxobutyl)-, (3aR,4aS,5S,5aR,6aR)-","exact_mass":248.141,"inchikey":"AGIQIKMGJVLKMA-NLRWUALESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.150284,"smiles":"CC(=O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C","spectrum_id":"CCMSLIB00000852007","spectrum_index":3739},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385841-01_C15H20O3_2H-Cyclopropa[f]benzofuran-2-one, octahydro-5a-methyl-3-methylene-5-(3-oxobutyl)-, (3aR,4aS,5S,5aR,6aR)-","exact_mass":248.141,"inchikey":"AGIQIKMGJVLKMA-NLRWUALESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.132538,"smiles":"CC(=O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C","spectrum_id":"CCMSLIB00000852009","spectrum_index":3740},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385842-01_C10H9NO4_(3-Hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid","exact_mass":207.053,"inchikey":"MHLHEINWUCSPTL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":208.061966,"smiles":"OC(=O)CC1(O)C(=O)NC2=CC=CC=C12","spectrum_id":"CCMSLIB00000852011","spectrum_index":3741},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385844-01_C15H28O2_7-(2-Hydroxy-2-propanyl)-1,4a-dimethyldecahydro-1-naphthalenol","exact_mass":240.209,"inchikey":"LKKDASYGWYYFIK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":223.207092,"smiles":"CC(C)(O)C1CCC2(C)CCCC(C)(O)C2C1","spectrum_id":"CCMSLIB00000852013","spectrum_index":3742},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385845-01_C15H24O2_","exact_mass":236.178,"inchikey":"WNLDVGWQXMRYIC-JVIGXAJISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.186401,"smiles":"C[C@]1(CO)CCC[C@@]\\2(C)C1CC\\C3=C2COC3","spectrum_id":"CCMSLIB00000852016","spectrum_index":3743},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385845-01_C15H24O2_","exact_mass":236.178,"inchikey":"WNLDVGWQXMRYIC-JVIGXAJISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":219.175659,"smiles":"C[C@]1(CO)CCC[C@@]\\2(C)C1CC\\C3=C2COC3","spectrum_id":"CCMSLIB00000852018","spectrum_index":3744},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385848-01_C19H24N2O_(3alpha,14alpha,16alpha)-14,15-Dihydroeburnamenin-14-ol","exact_mass":296.189,"inchikey":"HONLKDDLTAZVQV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.198578,"smiles":"CCC12CCCN3CCC4=C(C13)[N](C(O)C2)C5=CC=CC=C45","spectrum_id":"CCMSLIB00000852020","spectrum_index":3745},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385848-01_C19H24N2O_(3alpha,14alpha,16alpha)-14,15-Dihydroeburnamenin-14-ol","exact_mass":296.189,"inchikey":"HONLKDDLTAZVQV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.187775,"smiles":"CCC12CCCN3CCC4=C(C13)[N](C(O)C2)C5=CC=CC=C45","spectrum_id":"CCMSLIB00000852022","spectrum_index":3746},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385849-01_C15H22O3_3,8a-Dihydroxy-5-isopropylidene-3,8-dimethyl-2,3,3a,4,5,8a-hexahydro-6(1H)-azulenone","exact_mass":250.157,"inchikey":"IXQJBPRUTQTCMW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.155167,"smiles":"CC(C)=C1CC2C(C)(O)CCC2(O)\\C(=C/C1=O)C","spectrum_id":"CCMSLIB00000852024","spectrum_index":3747},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385854-01_C14H19N3O4_N~5~-Carbamoyl-N~2~-(phenylacetyl)ornithine","exact_mass":293.138,"inchikey":"FTYZUGZNDHQHFV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":294.147247,"smiles":"NC(=O)NCCCC(NC(=O)CC1=CC=CC=C1)C(O)=O","spectrum_id":"CCMSLIB00000852026","spectrum_index":3748},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385854-01_C14H19N3O4_N~5~-Carbamoyl-N~2~-(phenylacetyl)ornithine","exact_mass":293.138,"inchikey":"FTYZUGZNDHQHFV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.169769,"smiles":"NC(=O)NCCCC(NC(=O)CC1=CC=CC=C1)C(O)=O","spectrum_id":"CCMSLIB00000852027","spectrum_index":3749},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347408-02_C39H63NO12_15-Oxospirosolan-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":737.435,"inchikey":"RBCXKPQLDXSOQW-JTOHOHOHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":738.442383,"smiles":"CC1CCC2(NC1)OC3C(C2C)C4(C)CCC5C(CCC6CC(CCC56C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)C4C3=O","spectrum_id":"CCMSLIB00000852029","spectrum_index":3750},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347570-02_C26H29N3O3_3-{[2,2-Dimethyl-7-(2-methyl-3-buten-2-yl)-2,8-dihydropyrano[3,2-f]indol-6-yl]methyl}-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione","exact_mass":431.221,"inchikey":"OFQKTZRDRXZBON-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.230103,"smiles":"CC\\1(C)OC2=C(\\C=C1)C=C3C(=C2)[NH]C(=C3CC4NC(=O)\\C5=C\\CCN5C4=O)C(C)(C)C=C","spectrum_id":"CCMSLIB00000852032","spectrum_index":3751},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380442-01_C25H30O7_3H-5,13b-Methano-1H-furo[3',4':6,7]heptaleno[3,2-c]pyran-1,4,9(3aH,7H)-trione, 5,6,6a,11,13,13a-hexahydro-3a,7-dihydroxy-3,5,7,11,11,13a-hexamethyl-14-methylene-","exact_mass":442.199,"inchikey":"IJLFVBWYDPGYDN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.207703,"smiles":"CC1OC(=O)C23C(=C)C(C)(CC4C(C)(O)C\\5=C\\C(=O)OC(C)(C)C5=C/CC24C)C(=O)C13O","spectrum_id":"CCMSLIB00000852033","spectrum_index":3752},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380444-01_C16H20O3_2-Naphthaleneacetic acid, 1,2,3,7,8,8a-hexahydro-8,8a-dimethyl-alpha-methylene-7-oxo-, methyl ester, (2R,8R,8aR)-","exact_mass":260.141,"inchikey":"JGZDPLNVUOFETD-HWWQOWPSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.149445,"smiles":"COC(=O)C(=C)[C@@H]1C\\C=C2\\C=C/C(=O)[C@H](C)[C@@]2(C)C1","spectrum_id":"CCMSLIB00000852035","spectrum_index":3753},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380444-01_C16H20O3_2-Naphthaleneacetic acid, 1,2,3,7,8,8a-hexahydro-8,8a-dimethyl-alpha-methylene-7-oxo-, methyl ester, (2R,8R,8aR)-","exact_mass":260.141,"inchikey":"JGZDPLNVUOFETD-HWWQOWPSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":243.13884,"smiles":"COC(=O)C(=C)[C@@H]1C\\C=C2\\C=C/C(=O)[C@H](C)[C@@]2(C)C1","spectrum_id":"CCMSLIB00000852037","spectrum_index":3754},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380446-01_C16H19N3O5_11-Hydroxy-11-isopropyl-4-methoxy-8-methyl-10,11-dihydro-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione","exact_mass":333.132,"inchikey":"OSDYZSDCSJYUFO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":334.141174,"smiles":"COC\\1=C\\C2=C(O\\C=C1)\\N=C3/N(C(C)C(=O)NC3(O)C(C)C)C2=O","spectrum_id":"CCMSLIB00000852039","spectrum_index":3755},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380446-01_C16H19N3O5_11-Hydroxy-11-isopropyl-4-methoxy-8-methyl-10,11-dihydro-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione","exact_mass":333.132,"inchikey":"OSDYZSDCSJYUFO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.130341,"smiles":"COC\\1=C\\C2=C(O\\C=C1)\\N=C3/N(C(C)C(=O)NC3(O)C(C)C)C2=O","spectrum_id":"CCMSLIB00000852041","spectrum_index":3756},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380512-01_C28H40O9_1(2H)-Naphthalenone, 2,7-bis(acetyloxy)-4-[(3E)-2,5-bis(acetyloxy)-3-methyl-3-penten-1-yl]octahydro-4a,8,8-trimethyl-3-methylene-","exact_mass":520.267,"inchikey":"STOYMKJWHHPSDH-RVDMUPIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":538.30188,"smiles":"CC(=O)OC/C=C(C)/C(CC1C(=C)C(OC(C)=O)C(=O)C2C(C)(C)C(CCC12C)OC(C)=O)OC(C)=O","spectrum_id":"CCMSLIB00000852043","spectrum_index":3757},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380512-01_C28H40O9_1(2H)-Naphthalenone, 2,7-bis(acetyloxy)-4-[(3E)-2,5-bis(acetyloxy)-3-methyl-3-penten-1-yl]octahydro-4a,8,8-trimethyl-3-methylene-","exact_mass":520.267,"inchikey":"STOYMKJWHHPSDH-RVDMUPIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.258545,"smiles":"CC(=O)OC/C=C(C)/C(CC1C(=C)C(OC(C)=O)C(=O)C2C(C)(C)C(CCC12C)OC(C)=O)OC(C)=O","spectrum_id":"CCMSLIB00000852045","spectrum_index":3758},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380513-01_C47H74O17_","exact_mass":910.493,"inchikey":"ZLOTZUGMLIVSJQ-XFFHRFSLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":911.496887,"smiles":"CC1OC(OC2C(O)C(O)COC2OC3C(O)C(O)C(OC3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C(=O)\\C=C/7C8CC(C)(C)CC(O)[C@]8(C)CC[C@@]67C)C4(C)C)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852048","spectrum_index":3759},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380513-01_C47H74O17_","exact_mass":910.493,"inchikey":"ZLOTZUGMLIVSJQ-XFFHRFSLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":933.476624,"smiles":"CC1OC(OC2C(O)C(O)COC2OC3C(O)C(O)C(OC3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C(=O)\\C=C/7C8CC(C)(C)CC(O)[C@]8(C)CC[C@@]67C)C4(C)C)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852050","spectrum_index":3760},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380515-01_C16H24O5_Cyclohexaneacetic acid, 4-ethenyl-2,6-dihydroxy-3-[1-(hydroxymethyl)ethenyl]-4-methyl-alpha-methylene-, methyl ester","exact_mass":296.162,"inchikey":"ZAUMFTVHLHASMN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.171021,"smiles":"COC(=O)C(=C)C1C(O)CC(C)(C=C)C(C1O)C(=C)CO","spectrum_id":"CCMSLIB00000852052","spectrum_index":3761},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380515-01_C16H24O5_Cyclohexaneacetic acid, 4-ethenyl-2,6-dihydroxy-3-[1-(hydroxymethyl)ethenyl]-4-methyl-alpha-methylene-, methyl ester","exact_mass":296.162,"inchikey":"ZAUMFTVHLHASMN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.152954,"smiles":"COC(=O)C(=C)C1C(O)CC(C)(C=C)C(C1O)C(=C)CO","spectrum_id":"CCMSLIB00000852053","spectrum_index":3762},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385859-01_C36H56O11_Hexopyranose, 1-O-(3,19,23-trihydroxy-23,28-dioxoolean-12-en-28-yl)-","exact_mass":664.382,"inchikey":"PWXPWSCNXVCOCA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":687.37384,"smiles":"CC1(C)CCC2(CCC3(C)\\C(=C/CC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1O)C(=O)OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000852055","spectrum_index":3763},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385860-01_C15H22O2_3-Hydroxy-5-isopropylidene-3,8-dimethyl-2,3,3a,4,5,8a-hexahydro-6(1H)-azulenone","exact_mass":234.162,"inchikey":"RHBOHEXDGUVIIY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.171112,"smiles":"CC(C)=C1CC2C(CCC2(C)O)\\C(=C/C1=O)C","spectrum_id":"CCMSLIB00000852058","spectrum_index":3764},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385860-01_C15H22O2_3-Hydroxy-5-isopropylidene-3,8-dimethyl-2,3,3a,4,5,8a-hexahydro-6(1H)-azulenone","exact_mass":234.162,"inchikey":"RHBOHEXDGUVIIY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":217.160217,"smiles":"CC(C)=C1CC2C(CCC2(C)O)\\C(=C/C1=O)C","spectrum_id":"CCMSLIB00000852059","spectrum_index":3765},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385861-01_C15H24O3_1,2,4-Metheno-1H-indene-1,5-dimethanol, octahydro-3-hydroxy-alpha~5~,alpha~5~,7a-trimethyl-","exact_mass":252.173,"inchikey":"ORUMCUXABQCFEG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.171021,"smiles":"CC(C)(O)C1CCC2(C)C3C(O)C4C(C13)C24CO","spectrum_id":"CCMSLIB00000852061","spectrum_index":3766},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385861-01_C15H24O3_1,2,4-Metheno-1H-indene-1,5-dimethanol, octahydro-3-hydroxy-alpha~5~,alpha~5~,7a-trimethyl-","exact_mass":252.173,"inchikey":"ORUMCUXABQCFEG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.163849,"smiles":"CC(C)(O)C1CCC2(C)C3C(O)C4C(C13)C24CO","spectrum_id":"CCMSLIB00000852063","spectrum_index":3767},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385862-01_C15H26O2_(1S,4R)-7-Isopropyl-1,4-dimethyl-1,2,3,3a,4,5,6,8a-octahydro-1,4-azulenediol","exact_mass":238.193,"inchikey":"IWQURBSTAIRNAE-CVSAEHQPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":280.229034,"smiles":"CC(C)C/1=C/C2C(CC[C@]2(C)O)[C@](C)(O)CC1","spectrum_id":"CCMSLIB00000852065","spectrum_index":3768},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385864-01_C15H12N2O3_3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-(1H-pyrrol-2-yl)-, methyl ester","exact_mass":268.085,"inchikey":"IADWMRZHOGHTMQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.094147,"smiles":"COC(=O)C/1=C(C2=CC=C[NH]2)/C3=CC=CC=C3C(=O)N1","spectrum_id":"CCMSLIB00000852068","spectrum_index":3769},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385864-01_C15H12N2O3_3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-(1H-pyrrol-2-yl)-, methyl ester","exact_mass":268.085,"inchikey":"IADWMRZHOGHTMQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.076324,"smiles":"COC(=O)C/1=C(C2=CC=C[NH]2)/C3=CC=CC=C3C(=O)N1","spectrum_id":"CCMSLIB00000852069","spectrum_index":3770},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385865-01_C15H20O4_Azuleno[5,6-c]furan-1(3H)-one, 4,4a,5,6,7,9-hexahydro-3,4-dihydroxy-6,6,8-trimethyl-","exact_mass":264.136,"inchikey":"SEYJJRRZTHFAPX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.134521,"smiles":"CC\\1=C\\2CC(C)(C)CC2C(O)\\C3=C(/C1)C(=O)OC3O","spectrum_id":"CCMSLIB00000852071","spectrum_index":3771},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385868-01_C14H18O9_4-(Hexopyranosyloxy)-3-methoxybenzoic acid","exact_mass":330.095,"inchikey":"JYFOSWJYZIVJPO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.087555,"smiles":"COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C(O)=O","spectrum_id":"CCMSLIB00000852073","spectrum_index":3772},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385977-01_C16H24O5_4-Hydroxy-5-methoxy-4-[2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-one","exact_mass":296.162,"inchikey":"NESRXFGQJARQNM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.161102,"smiles":"COC1C(=O)CCC2(CO2)C1(O)C3(C)OC3CC=C(C)C","spectrum_id":"CCMSLIB00000852075","spectrum_index":3773},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385977-01_C16H24O5_4-Hydroxy-5-methoxy-4-[2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-one","exact_mass":296.162,"inchikey":"NESRXFGQJARQNM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.199158,"smiles":"COC1C(=O)CCC2(CO2)C1(O)C3(C)OC3CC=C(C)C","spectrum_id":"CCMSLIB00000852078","spectrum_index":3774},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385977-01_C16H24O5_4-Hydroxy-5-methoxy-4-[2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-one","exact_mass":296.162,"inchikey":"NESRXFGQJARQNM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.154358,"smiles":"COC1C(=O)CCC2(CO2)C1(O)C3(C)OC3CC=C(C)C","spectrum_id":"CCMSLIB00000852079","spectrum_index":3775},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169009-02_C26H32O9_Methyl (2R,4aR,4bS,10aS,10bS,12aR)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-1,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-2H-naphtho[1,2-h]isochromene-2-carboxylate","exact_mass":488.205,"inchikey":"CYHGEJACRPDZDP-IKNWHQMFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.207092,"smiles":"COC(=O)[C@]1(C)OC(=O)[C@@H]2[C@](C)(C(=C)C[C@]3(O)[C@@]\\4(C)CCC(=O)C(C)(C)C4=C(\\O)C(=O)[C@@]23C)C1=O","spectrum_id":"CCMSLIB00000852082","spectrum_index":3776},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169578-03_C18H24O5_Propanoic acid, 2-methyl-, 5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester","exact_mass":320.162,"inchikey":"OLARKEMZPWGFJU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.166718,"smiles":"CC(C)C(=O)OCC1(CO1)C2=C(OC(=O)C(C)C)C=C(C)C=C2","spectrum_id":"CCMSLIB00000852083","spectrum_index":3777},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169578-03_C18H24O5_Propanoic acid, 2-methyl-, 5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester","exact_mass":320.162,"inchikey":"OLARKEMZPWGFJU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.148376,"smiles":"CC(C)C(=O)OCC1(CO1)C2=C(OC(=O)C(C)C)C=C(C)C=C2","spectrum_id":"CCMSLIB00000852085","spectrum_index":3778},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180572-02_C15H20O6_Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (2xi,3alpha,7alpha,11xi)-","exact_mass":296.126,"inchikey":"LINOMUASTDIRTM-JSXZITHDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.130402,"smiles":"C\\C1=C\\C2OC3[C@H](O)C[C@@](C)([C@]34CO4)[C@@]2(CO)[C@H](O)C1=O","spectrum_id":"CCMSLIB00000852088","spectrum_index":3779},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380933-01_C20H30O5_1-Cyclopentene-1-octanoic acid, gamma-(acetyloxy)-3-oxo-2-(2-penten-1-yl)-","exact_mass":350.209,"inchikey":"QWDCJWDUPSTHHK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.21344,"smiles":"CCC=CCC/1=C(CCCCC(CCC(O)=O)OC(C)=O)/CCC1=O","spectrum_id":"CCMSLIB00000852090","spectrum_index":3780},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380933-01_C20H30O5_1-Cyclopentene-1-octanoic acid, gamma-(acetyloxy)-3-oxo-2-(2-penten-1-yl)-","exact_mass":350.209,"inchikey":"QWDCJWDUPSTHHK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.194946,"smiles":"CCC=CCC/1=C(CCCCC(CCC(O)=O)OC(C)=O)/CCC1=O","spectrum_id":"CCMSLIB00000852092","spectrum_index":3781},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380934-01_C25H30O13_(2S,3R,4S)-4-(2-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}ethyl)-2-(beta-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid","exact_mass":538.169,"inchikey":"ZPEFYJBGAZLAKK-CPYBZULYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.127136,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C(/[C@@H](CCOC(=O)/C=C/C3=CC=C(O)C(=C3)O)[C@@H]2C=C)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852094","spectrum_index":3782},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380935-01_C23H23N5O4_(3Z)-6-Hydroxy-3-(1H-imidazol-5-ylmethylene)-12-methoxy-7a-(2-methyl-3-buten-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione","exact_mass":433.175,"inchikey":"JTJJJLSLKZFEPJ-YVLHZVERSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.178406,"smiles":"CON1C2=CC=CC=C2C3(\\C=C(O)/C(=O)N4\\C(=C/C5=CN=C[NH]5)C(=O)NC134)C(C)(C)C=C","spectrum_id":"CCMSLIB00000852096","spectrum_index":3783},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180662-03_C20H24O5_5-(3-Furyl)-3',6',7'-trimethyldihydro-8'H-spiro[furan-3,2'-[9]oxatricyclo[5.2.2.0~1,6~]undecane]-2,8'-dione","exact_mass":344.162,"inchikey":"LJUJJGHPDOTAAY-IQCUDVOSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.169159,"smiles":"C[C@@H]1CC[C@]2(C)C3(C)CC[C@@]2(OC3=O)[C@@]14C[C@@H](OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000852098","spectrum_index":3784},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180662-03_C20H24O5_5-(3-Furyl)-3',6',7'-trimethyldihydro-8'H-spiro[furan-3,2'-[9]oxatricyclo[5.2.2.0~1,6~]undecane]-2,8'-dione","exact_mass":344.162,"inchikey":"LJUJJGHPDOTAAY-IQCUDVOSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.195892,"smiles":"C[C@@H]1CC[C@]2(C)C3(C)CC[C@@]2(OC3=O)[C@@]14C[C@@H](OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000852099","spectrum_index":3785},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385045-01_C19H20O6_(3R,5S)-5-(3-Furyl)-8a'-hydroxy-7'-methyl-3',4,5,5',5a',7',8',8a'-octahydrospiro[furan-3,6'-naphtho[1,8-bc]furan]-2,2'(4'H)-dione","exact_mass":344.126,"inchikey":"LIGLPZJMSAQJSF-CUMWWUEVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.133148,"smiles":"CC1CC2(O)OC(=O)C/3=C2/C(CCC3)[C@@]14C[C@H](OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000852102","spectrum_index":3786},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385045-01_C19H20O6_(3R,5S)-5-(3-Furyl)-8a'-hydroxy-7'-methyl-3',4,5,5',5a',7',8',8a'-octahydrospiro[furan-3,6'-naphtho[1,8-bc]furan]-2,2'(4'H)-dione","exact_mass":344.126,"inchikey":"LIGLPZJMSAQJSF-CUMWWUEVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.122375,"smiles":"CC1CC2(O)OC(=O)C/3=C2/C(CCC3)[C@@]14C[C@H](OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000852104","spectrum_index":3787},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385046-01_C20H30O2_Pimara-9(11),15-dien-18-oic acid","exact_mass":302.225,"inchikey":"TVHDZSRRHQKNEZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.231232,"smiles":"CC1(C/C=C/2C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C","spectrum_id":"CCMSLIB00000852106","spectrum_index":3788},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385048-01_C20H26O5_(3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-Trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl (2Z)-2-methyl-2-butenoate","exact_mass":346.178,"inchikey":"KUPPZVXLWANEJJ-UXPPPGSFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.185059,"smiles":"C\\C=C(C)/C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]3\\C=C/C(=O)[C@@]13C","spectrum_id":"CCMSLIB00000852108","spectrum_index":3789},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385048-01_C20H26O5_(3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-Trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl (2Z)-2-methyl-2-butenoate","exact_mass":346.178,"inchikey":"KUPPZVXLWANEJJ-UXPPPGSFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.166962,"smiles":"C\\C=C(C)/C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]3\\C=C/C(=O)[C@@]13C","spectrum_id":"CCMSLIB00000852110","spectrum_index":3790},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385053-01_C17H22O6_[3,8-Dihydroxy-6,9-bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-3-yl]methyl acetate","exact_mass":322.142,"inchikey":"XIVYFPUTCCJWCJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":340.175262,"smiles":"CC(=O)OCC1(O)C2CCC(=C)C3CC(O)C(=C)C3C2OC1=O","spectrum_id":"CCMSLIB00000852111","spectrum_index":3791},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169704-02_C17H24O8_Benzenepentanoic acid, beta-(hexopyranosyloxy)-","exact_mass":356.147,"inchikey":"HRYIDVZLDQBLFF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.181641,"smiles":"OCC1OC(OC(CCC2=CC=CC=C2)CC(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852116","spectrum_index":3792},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169704-02_C17H24O8_Benzenepentanoic acid, beta-(hexopyranosyloxy)-","exact_mass":356.147,"inchikey":"HRYIDVZLDQBLFF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.135986,"smiles":"OCC1OC(OC(CCC2=CC=CC=C2)CC(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852118","spectrum_index":3793},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179896-02_C16H22O8_beta-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propen-1-yl]-2-methoxyphenyl","exact_mass":342.131,"inchikey":"SFLMUHDGSQZDOW-FAOXUISGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.121185,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(=C1)\\C=C\\CO","spectrum_id":"CCMSLIB00000852120","spectrum_index":3794},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347357-02_C30H48O5_Olean-12-en-28-oic acid, 2,3,19-trihydroxy-, (2alpha,3beta,5xi,9xi,19alpha)-","exact_mass":488.35,"inchikey":"XJMYUPJDAFKICJ-SEAQMCRASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.355713,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000852122","spectrum_index":3795},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347357-02_C30H48O5_Olean-12-en-28-oic acid, 2,3,19-trihydroxy-, (2alpha,3beta,5xi,9xi,19alpha)-","exact_mass":488.35,"inchikey":"XJMYUPJDAFKICJ-SEAQMCRASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.346283,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00000852123","spectrum_index":3796},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385256-01_C51H84O23_(3beta,8xi,9xi,14xi,16xi)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranosyl]oxy}-17,22-dihydroxyfurost-5-en-26-yl beta-D-glucopyranoside","exact_mass":1064.54,"inchikey":"BFRBGRATLDMPFZ-OHJHOAMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1047.528931,"smiles":"CC(CCC1(O)OC2CC3C4C/C=C5/C[C@H](CC[C@]5(C)C4CC[C@]3(C)[C@@]2(O)[C@@H]1C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00000852126","spectrum_index":3797},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385256-01_C51H84O23_(3beta,8xi,9xi,14xi,16xi)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranosyl]oxy}-17,22-dihydroxyfurost-5-en-26-yl beta-D-glucopyranoside","exact_mass":1064.54,"inchikey":"BFRBGRATLDMPFZ-OHJHOAMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1087.519165,"smiles":"CC(CCC1(O)OC2CC3C4C/C=C5/C[C@H](CC[C@]5(C)C4CC[C@]3(C)[C@@]2(O)[C@@H]1C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00000852128","spectrum_index":3798},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385257-01_C20H19NO5_1,3-Benzodioxolo[5,6-c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one, 5,7,8,15-tetrahydro-6-methyl-","exact_mass":353.126,"inchikey":"ZAALQOFZFANFTF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":354.134216,"smiles":"CN1CCC2=CC3=C(OCO3)C=C2C(=O)CC4=C(C1)C=C5OCOC5=C4","spectrum_id":"CCMSLIB00000852130","spectrum_index":3799},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385262-01_C17H24O10_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-5-oxo-, methyl ester, (1S,7R)-","exact_mass":388.137,"inchikey":"HLXRWTJXGMHOFN-TVMGBVPXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.144409,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3[C@H](C)CC(=O)C13","spectrum_id":"CCMSLIB00000852136","spectrum_index":3800},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385262-01_C17H24O10_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-5-oxo-, methyl ester, (1S,7R)-","exact_mass":388.137,"inchikey":"HLXRWTJXGMHOFN-TVMGBVPXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.126343,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3[C@H](C)CC(=O)C13","spectrum_id":"CCMSLIB00000852137","spectrum_index":3801},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169152-03_C34H42O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({2,3-Di-O-acetyl-6-deoxy-4-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":722.242,"inchikey":"JYVLOGILHBWLAE-LTDPXCIYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":740.27478,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(=O)\\C=C\\C6=CC=CC=C6","spectrum_id":"CCMSLIB00000852140","spectrum_index":3802},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169152-03_C34H42O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({2,3-Di-O-acetyl-6-deoxy-4-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":722.242,"inchikey":"JYVLOGILHBWLAE-LTDPXCIYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":745.231079,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(=O)\\C=C\\C6=CC=CC=C6","spectrum_id":"CCMSLIB00000852142","spectrum_index":3803},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180556-02_C15H26O4_(1S,4R,4aS,8aS)-1,2-Bis(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1,4-naphthalenediol","exact_mass":270.183,"inchikey":"HUZKUSWQRONLOJ-PAPYEOQZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.218353,"smiles":"CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)\\C=C(\\CO)[C@]2(O)CO","spectrum_id":"CCMSLIB00000852143","spectrum_index":3804},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180556-02_C15H26O4_(1S,4R,4aS,8aS)-1,2-Bis(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1,4-naphthalenediol","exact_mass":270.183,"inchikey":"HUZKUSWQRONLOJ-PAPYEOQZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.173126,"smiles":"CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)\\C=C(\\CO)[C@]2(O)CO","spectrum_id":"CCMSLIB00000852146","spectrum_index":3805},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380741-01_C20H24O10_6-O-(3,4-Dihydroxy-2-methylenebutanoyl)-1-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-glucopyranose","exact_mass":424.137,"inchikey":"MYWZGSROPRXVPM-AUMMCNCRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.145386,"smiles":"OCC(O)C(=C)C(=O)OC[C@H]1O[C@@H](OC(=O)/C=C/C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852148","spectrum_index":3806},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380741-01_C20H24O10_6-O-(3,4-Dihydroxy-2-methylenebutanoyl)-1-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-glucopyranose","exact_mass":424.137,"inchikey":"MYWZGSROPRXVPM-AUMMCNCRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.12677,"smiles":"OCC(O)C(=C)C(=O)OC[C@H]1O[C@@H](OC(=O)/C=C/C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852150","spectrum_index":3807},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380742-01_C22H25N3O3_9-Methoxy-12-(2-methyl-1-propen-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione","exact_mass":379.19,"inchikey":"DBEYVIGIPJSTOR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":380.198059,"smiles":"COC1=CC2=C(C=C1)C3=C([NH]2)C(C=C(C)C)N4C(C3)C(=O)N5CCCC5C4=O","spectrum_id":"CCMSLIB00000852152","spectrum_index":3808},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380744-01_C22H32O11_beta-D-Glucopyranoside, 4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":472.194,"inchikey":"UEAATLOMPYZOFF-PYEGHPNJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":490.229523,"smiles":"CC(C)=CCC1=CC(=CC=C1O)O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000852154","spectrum_index":3809},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380744-01_C22H32O11_beta-D-Glucopyranoside, 4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":472.194,"inchikey":"UEAATLOMPYZOFF-PYEGHPNJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":495.184906,"smiles":"CC(C)=CCC1=CC(=CC=C1O)O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000852155","spectrum_index":3810},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380750-01_C22H32O8_(3beta,4alpha,8alpha)-15-Acetoxy-3,4-dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate","exact_mass":424.21,"inchikey":"PNKLMTPXERFKEN-MLXHEQMXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.218506,"smiles":"CC(C)CC(=O)O[C@H]\\1C[C@@]2(COC(C)=O)[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@]2(C)[C@]34CO4)\\C=C1C","spectrum_id":"CCMSLIB00000852158","spectrum_index":3811},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380750-01_C22H32O8_(3beta,4alpha,8alpha)-15-Acetoxy-3,4-dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate","exact_mass":424.21,"inchikey":"PNKLMTPXERFKEN-MLXHEQMXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":442.244568,"smiles":"CC(C)CC(=O)O[C@H]\\1C[C@@]2(COC(C)=O)[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@]2(C)[C@]34CO4)\\C=C1C","spectrum_id":"CCMSLIB00000852159","spectrum_index":3812},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380751-01_C22H30O6_6-Heptenoic acid, 7-[8-(acetyloxy)-5,6,7,8-tetrahydro-2,6-dimethyl-1-naphthalenyl]-3,5-dihydroxy-, methyl ester, (6E)-","exact_mass":390.204,"inchikey":"PLYNBLLEIDIMDU-BQYQJAHWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.194763,"smiles":"COC(=O)CC(O)CC(O)/C=C/C1=C(C)C=CC2=C1C(CC(C)C2)OC(C)=O","spectrum_id":"CCMSLIB00000852161","spectrum_index":3813},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381358-01_C20H30O3_","exact_mass":318.219,"inchikey":"XAFFBHRHOULDSM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.228149,"smiles":"CC1(CCCC\\2(C)C1CCC34CC(CO)C(C/C=C23)C4)C(O)=O","spectrum_id":"CCMSLIB00000852163","spectrum_index":3814},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381358-01_C20H30O3_","exact_mass":318.219,"inchikey":"XAFFBHRHOULDSM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":336.254547,"smiles":"CC1(CCCC\\2(C)C1CCC34CC(CO)C(C/C=C23)C4)C(O)=O","spectrum_id":"CCMSLIB00000852166","spectrum_index":3815},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381359-01_C14H18N2O3_Phenylalanine, prolyl-","exact_mass":262.132,"inchikey":"IWIANZLCJVYEFX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.129532,"smiles":"OC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2","spectrum_id":"CCMSLIB00000852168","spectrum_index":3816},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381360-01_C15H20O4_(9E)-11a-Hydroxy-3,6,10-trimethyl-7,8,11,11a-tetrahydrocyclodeca[b]furan-2,5(4H,6H)-dione","exact_mass":264.136,"inchikey":"SCOXWKWLFRIELY-WEVVVXLNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.144653,"smiles":"CC1CC/C=C(C)/CC\\2(O)OC(=O)\\C(=C2CC1=O)C","spectrum_id":"CCMSLIB00000852170","spectrum_index":3817},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381360-01_C15H20O4_(9E)-11a-Hydroxy-3,6,10-trimethyl-7,8,11,11a-tetrahydrocyclodeca[b]furan-2,5(4H,6H)-dione","exact_mass":264.136,"inchikey":"SCOXWKWLFRIELY-WEVVVXLNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.134064,"smiles":"CC1CC/C=C(C)/CC\\2(O)OC(=O)\\C(=C2CC1=O)C","spectrum_id":"CCMSLIB00000852172","spectrum_index":3818},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381362-01_C17H16O7_","exact_mass":332.09,"inchikey":"HAMGMFWBTYYRFD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.09848,"smiles":"COC(=O)CC1OC(C)C/2=C(O)/C3=C(O)C=CC=C3C(=O)C24OC14","spectrum_id":"CCMSLIB00000852174","spectrum_index":3819},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381362-01_C17H16O7_","exact_mass":332.09,"inchikey":"HAMGMFWBTYYRFD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.087952,"smiles":"COC(=O)CC1OC(C)C/2=C(O)/C3=C(O)C=CC=C3C(=O)C24OC14","spectrum_id":"CCMSLIB00000852175","spectrum_index":3820},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381368-01_C17H19NO4_{3-[(E)-2-(1,3-Benzodioxol-5-yl)vinyl]-2-oxiranyl}(1-piperidinyl)methanone","exact_mass":301.131,"inchikey":"VOXQNTWMJFAWIA-FNORWQNLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.140106,"smiles":"O=C(C1OC1/C=C/C2=CC3=C(OCO3)C=C2)N4CCCCC4","spectrum_id":"CCMSLIB00000852178","spectrum_index":3821},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381368-01_C17H19NO4_{3-[(E)-2-(1,3-Benzodioxol-5-yl)vinyl]-2-oxiranyl}(1-piperidinyl)methanone","exact_mass":301.131,"inchikey":"VOXQNTWMJFAWIA-FNORWQNLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.12915,"smiles":"O=C(C1OC1/C=C/C2=CC3=C(OCO3)C=C2)N4CCCCC4","spectrum_id":"CCMSLIB00000852180","spectrum_index":3822},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381369-01_C15H22O4_3a,7-Ethano-3aH-indene-4-carboxylic acid, octahydro-6-hydroxy-3,8,8-trimethyl-2-oxo-","exact_mass":266.152,"inchikey":"MNWVNHAXLQLPLU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.160126,"smiles":"CC1C(=O)CC2C3C(O)CC(C(O)=O)C12CC3(C)C","spectrum_id":"CCMSLIB00000852181","spectrum_index":3823},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381377-01_C11H12O6_(3R,4S)-4,6,8-Trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one","exact_mass":240.063,"inchikey":"ZLLQQKITWRWKTD-SPGJFGJESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":241.071609,"smiles":"COC1=C(O)C=C2[C@H](O)[C@@H](C)OC(=O)C2=C1O","spectrum_id":"CCMSLIB00000852184","spectrum_index":3824},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381377-01_C11H12O6_(3R,4S)-4,6,8-Trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one","exact_mass":240.063,"inchikey":"ZLLQQKITWRWKTD-SPGJFGJESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.053833,"smiles":"COC1=C(O)C=C2[C@H](O)[C@@H](C)OC(=O)C2=C1O","spectrum_id":"CCMSLIB00000852186","spectrum_index":3825},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168985-02_C53H86O22_1-O-[(3beta,5xi,9xi)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->3)]-beta-D-xylopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":1074.56,"inchikey":"ATUHGDXZHWBGHX-SXFANQPWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1075.567627,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4C\\C=C6\\[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@]3(C)CO)[C@H](O)[C@H]2O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852188","spectrum_index":3826},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168985-02_C53H86O22_1-O-[(3beta,5xi,9xi)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->3)]-beta-D-xylopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":1074.56,"inchikey":"ATUHGDXZHWBGHX-SXFANQPWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1097.548462,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4C\\C=C6\\[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@]3(C)CO)[C@H](O)[C@H]2O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852190","spectrum_index":3827},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169017-02_C30H38O15_(1aS,1bS,2S,5aR,6S,6aS)-6-({6-Deoxy-2-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":638.221,"inchikey":"RLGYLKXDNQBDCU-HUSRUCGJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":656.258972,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](OC(=O)\\C=C\\C6=CC=CC=C6)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852192","spectrum_index":3828},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169017-02_C30H38O15_(1aS,1bS,2S,5aR,6S,6aS)-6-({6-Deoxy-2-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":638.221,"inchikey":"RLGYLKXDNQBDCU-HUSRUCGJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":661.214416,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](OC(=O)\\C=C\\C6=CC=CC=C6)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852193","spectrum_index":3829},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385359-01_C30H46O7_(3beta,8xi,9xi)-3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide","exact_mass":518.324,"inchikey":"YBZZSZQZDODUAA-HAIXVIHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.335999,"smiles":"COC1CC(OC(C)C1O)O[C@H]2CC[C@@]3(C)C(CCC4C3CC[C@]5(C)[C@H](CC[C@]45O)\\C6=C\\C(=O)OC6)C2","spectrum_id":"CCMSLIB00000852196","spectrum_index":3830},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385360-01_C36H56O12_beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,9xi,18xi)-2,3,19,24-tetrahydroxy-24,28-dioxoolean-12-en-28-yl]-","exact_mass":680.377,"inchikey":"NZNHJGNBLPBNLU-YIKANFTBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":698.415771,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C5CC[C@@]34C)C(O)=O)C2C1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000852197","spectrum_index":3831},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385360-01_C36H56O12_beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,9xi,18xi)-2,3,19,24-tetrahydroxy-24,28-dioxoolean-12-en-28-yl]-","exact_mass":680.377,"inchikey":"NZNHJGNBLPBNLU-YIKANFTBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":703.371277,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C5CC[C@@]34C)C(O)=O)C2C1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000852199","spectrum_index":3832},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385362-01_C27H38O4_(2E,6E,10E)-13-[(2R)-6-Hydroxy-2,8-dimethyl-3,4-dihydro-2H-chromen-2-yl]-2,6,10-trimethyl-2,6,10-tridecatrienoic acid","exact_mass":426.277,"inchikey":"QOFWRHWADNWKSU-LRXIOGKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.288513,"smiles":"CC(\\CC\\C=C(C)\\C(O)=O)=C/CC/C(C)=C/CC[C@]1(C)CCC2=CC(=CC(=C2O1)C)O","spectrum_id":"CCMSLIB00000852201","spectrum_index":3833},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385365-01_C11H16O3_2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-, (6S,7aR)-","exact_mass":196.11,"inchikey":"XEVQXKKKAVVSMW-WRWORJQWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":197.118744,"smiles":"CC\\1(C)C[C@H](O)C[C@@]2(C)OC(=O)/C=C12","spectrum_id":"CCMSLIB00000852203","spectrum_index":3834},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385365-01_C11H16O3_2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-, (6S,7aR)-","exact_mass":196.11,"inchikey":"XEVQXKKKAVVSMW-WRWORJQWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":219.101273,"smiles":"CC\\1(C)C[C@H](O)C[C@@]2(C)OC(=O)/C=C12","spectrum_id":"CCMSLIB00000852205","spectrum_index":3835},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00023509-16_C24H36O5_(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2S)-2-methylbutanoate","exact_mass":404.256,"inchikey":"PCZOHLXUXFIOCF-BXMDZJJMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.263977,"smiles":"CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)\\C=C2\\C=C/[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12","spectrum_id":"CCMSLIB00000852207","spectrum_index":3836},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00023509-16_C24H36O5_(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2S)-2-methylbutanoate","exact_mass":404.256,"inchikey":"PCZOHLXUXFIOCF-BXMDZJJMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.253113,"smiles":"CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)\\C=C2\\C=C/[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12","spectrum_id":"CCMSLIB00000852210","spectrum_index":3837},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00023509-16_C24H36O5_(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2S)-2-methylbutanoate","exact_mass":404.256,"inchikey":"PCZOHLXUXFIOCF-BXMDZJJMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":422.289978,"smiles":"CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)\\C=C2\\C=C/[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12","spectrum_id":"CCMSLIB00000852212","spectrum_index":3838},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00023509-16_C24H36O5_(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2S)-2-methylbutanoate","exact_mass":404.256,"inchikey":"PCZOHLXUXFIOCF-BXMDZJJMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.2453,"smiles":"CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)\\C=C2\\C=C/[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12","spectrum_id":"CCMSLIB00000852214","spectrum_index":3839},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380424-01_C10H9NO4_1,5-(Epoxymethano)cyclopenta[c]pyran-3-carboxamide, 1,4a,5,7a-tetrahydro-8-oxo-","exact_mass":207.053,"inchikey":"NBVNAFAEYGKTPJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":208.060349,"smiles":"NC(=O)C/1=C/C2C3\\C=C/C2C(=O)OC3O1","spectrum_id":"CCMSLIB00000852215","spectrum_index":3840},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380424-01_C10H9NO4_1,5-(Epoxymethano)cyclopenta[c]pyran-3-carboxamide, 1,4a,5,7a-tetrahydro-8-oxo-","exact_mass":207.053,"inchikey":"NBVNAFAEYGKTPJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.042358,"smiles":"NC(=O)C/1=C/C2C3\\C=C/C2C(=O)OC3O1","spectrum_id":"CCMSLIB00000852217","spectrum_index":3841},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380426-01_C20H28O5_7,10-Methano-1H-benzocycloundecene-4-carboxylic acid, 2,3,4,4a,5,6,9,10,11,12,13,13a-dodecahydro-14-hydroxy-4,13a-dimethyl-9,13-dioxo-, methyl ester, (4R,4aS,10R,13aR)-","exact_mass":348.194,"inchikey":"HJKQFAIAZHHRKW-GLTRZDKYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.201416,"smiles":"COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CCC/3=C/C(=O)[C@H](CCC2=O)C3O","spectrum_id":"CCMSLIB00000852219","spectrum_index":3842},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380427-01_C26H31N3O4_6b-Hydroxy-2,2-dimethyl-14a-(2-methyl-3-buten-2-yl)-2,6b,7,7a,10,11,12,12a,14a,15-decahydro-8H,13H-pyrano[3,2-g]pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-8,13-dione","exact_mass":449.231,"inchikey":"IDMNDTVGFAYTCQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.238983,"smiles":"CC\\1(C)OC2=C(C=CC3=C2NC4(N5C(CC34O)C(=O)N6CCCC6C5=O)C(C)(C)C=C)\\C=C1","spectrum_id":"CCMSLIB00000852221","spectrum_index":3843},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380427-01_C26H31N3O4_6b-Hydroxy-2,2-dimethyl-14a-(2-methyl-3-buten-2-yl)-2,6b,7,7a,10,11,12,12a,14a,15-decahydro-8H,13H-pyrano[3,2-g]pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-8,13-dione","exact_mass":449.231,"inchikey":"IDMNDTVGFAYTCQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.229034,"smiles":"CC\\1(C)OC2=C(C=CC3=C2NC4(N5C(CC34O)C(=O)N6CCCC6C5=O)C(C)(C)C=C)\\C=C1","spectrum_id":"CCMSLIB00000852224","spectrum_index":3844},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380427-01_C26H31N3O4_6b-Hydroxy-2,2-dimethyl-14a-(2-methyl-3-buten-2-yl)-2,6b,7,7a,10,11,12,12a,14a,15-decahydro-8H,13H-pyrano[3,2-g]pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-8,13-dione","exact_mass":449.231,"inchikey":"IDMNDTVGFAYTCQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":472.220734,"smiles":"CC\\1(C)OC2=C(C=CC3=C2NC4(N5C(CC34O)C(=O)N6CCCC6C5=O)C(C)(C)C=C)\\C=C1","spectrum_id":"CCMSLIB00000852226","spectrum_index":3845},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380429-01_C17H22O4_3-(5,9-Dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1~7,10~.0~1,6~]tridec-2-en-5-yl)propanoic acid","exact_mass":290.152,"inchikey":"RQCNJFMDDXEKEP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.159271,"smiles":"CC12CC3\\4CC1CC(O2)C3C(C)(CCC(O)=O)C(=O)\\C=C4","spectrum_id":"CCMSLIB00000852228","spectrum_index":3846},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380429-01_C17H22O4_3-(5,9-Dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1~7,10~.0~1,6~]tridec-2-en-5-yl)propanoic acid","exact_mass":290.152,"inchikey":"RQCNJFMDDXEKEP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.14856,"smiles":"CC12CC3\\4CC1CC(O2)C3C(C)(CCC(O)=O)C(=O)\\C=C4","spectrum_id":"CCMSLIB00000852230","spectrum_index":3847},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380429-01_C17H22O4_3-(5,9-Dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1~7,10~.0~1,6~]tridec-2-en-5-yl)propanoic acid","exact_mass":290.152,"inchikey":"RQCNJFMDDXEKEP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.141235,"smiles":"CC12CC3\\4CC1CC(O2)C3C(C)(CCC(O)=O)C(=O)\\C=C4","spectrum_id":"CCMSLIB00000852231","spectrum_index":3848},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380434-01_C26H32O14_Methyl 1-(hexopyranosyloxy)-5,6-dihydroxy-7-({[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}methyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":568.179,"inchikey":"SOLWETWNPWWTPC-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":569.185486,"smiles":"COC(=O)C/1=C/OC(OC2OC(CO)C(O)C(O)C2O)C3C(COC(=O)\\C=C\\C4=CC=C(O)C=C4)C(O)C(O)C13","spectrum_id":"CCMSLIB00000852234","spectrum_index":3849},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380434-01_C26H32O14_Methyl 1-(hexopyranosyloxy)-5,6-dihydroxy-7-({[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}methyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":568.179,"inchikey":"SOLWETWNPWWTPC-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":591.167236,"smiles":"COC(=O)C/1=C/OC(OC2OC(CO)C(O)C(O)C2O)C3C(COC(=O)\\C=C\\C4=CC=C(O)C=C4)C(O)C(O)C13","spectrum_id":"CCMSLIB00000852236","spectrum_index":3850},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380436-01_C30H36O14_(1S,4aS,7aR)-4a-({6-Deoxy-2-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-7-methyl-5-oxo-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside","exact_mass":620.211,"inchikey":"FJMAAWBVQJUJKZ-PPLUTCSPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":638.243469,"smiles":"C[C@@H]1O[C@@H](O[C@@]23\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2\\C(=C/C3=O)C)[C@H](OC(=O)\\C=C\\C5=CC=CC=C5)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852238","spectrum_index":3851},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380436-01_C30H36O14_(1S,4aS,7aR)-4a-({6-Deoxy-2-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-7-methyl-5-oxo-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside","exact_mass":620.211,"inchikey":"FJMAAWBVQJUJKZ-PPLUTCSPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":643.197998,"smiles":"C[C@@H]1O[C@@H](O[C@@]23\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2\\C(=C/C3=O)C)[C@H](OC(=O)\\C=C\\C5=CC=CC=C5)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852240","spectrum_index":3852},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180755-03_C16H22O9_(4aS,5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl beta-D-glucopyranoside","exact_mass":358.126,"inchikey":"VSJGJMKGNMDJCI-ZASXJUAOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.133484,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C3/[C@@H](CCOC3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852242","spectrum_index":3853},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180755-03_C16H22O9_(4aS,5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl beta-D-glucopyranoside","exact_mass":358.126,"inchikey":"VSJGJMKGNMDJCI-ZASXJUAOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.115234,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C3/[C@@H](CCOC3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852244","spectrum_index":3854},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384868-01_C48H60O22_beta-D-Glucopyranose, 1-O-[(2E,4E,6E,8E,10E,12E,14E)-16-[[(1R,2R,3R,5S)-5-carboxy-2-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,5-dihydroxycyclohexyl]oxy]-2,6,11,15-tetramethyl-1,16-dioxo-2,4,6,8,10,12,14-hexadecaheptaen-1-yl]-6-O-beta-D-glucopyranosyl-","exact_mass":988.358,"inchikey":"KEDZPHBUEGYHGC-JQQKWWBTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":989.357422,"smiles":"CC(=C\\C=C\\C=C(C)\\C=C\\C=C(C)\\C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)/C=C/C=C(C)/C(=O)O[C@@H]3C[C@@](O)(C[C@@H](O)[C@H]3OC(=O)\\C=C\\C4=CC=C(O)C(=C4)O)C(O)=O","spectrum_id":"CCMSLIB00000852245","spectrum_index":3855},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384870-01_C30H48O5_(5xi,8alpha,9beta,11beta,14beta,16beta,23S,24R)-11,24,25-Trihydroxy-16,23-epoxydammar-13(17)-en-3-one","exact_mass":488.35,"inchikey":"YNKJSQIXVXWFBK-DQRXNFCCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.346497,"smiles":"C[C@@H]1C[C@H](O[C@H]\\2C[C@@]3(C)\\C(=C12)C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]34C)[C@@H](O)C(C)(C)O","spectrum_id":"CCMSLIB00000852248","spectrum_index":3856},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384870-01_C30H48O5_(5xi,8alpha,9beta,11beta,14beta,16beta,23S,24R)-11,24,25-Trihydroxy-16,23-epoxydammar-13(17)-en-3-one","exact_mass":488.35,"inchikey":"YNKJSQIXVXWFBK-DQRXNFCCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":511.341064,"smiles":"C[C@@H]1C[C@H](O[C@H]\\2C[C@@]3(C)\\C(=C12)C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]34C)[C@@H](O)C(C)(C)O","spectrum_id":"CCMSLIB00000852250","spectrum_index":3857},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384878-01_C17H26O10_2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-4-(2-hydroxyethyl)-, methyl ester, (2S,3R,4S)-","exact_mass":390.153,"inchikey":"GHRNLKSWTKHISE-NRZPKYKESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.159485,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1CCO","spectrum_id":"CCMSLIB00000852252","spectrum_index":3858},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384878-01_C17H26O10_2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-4-(2-hydroxyethyl)-, methyl ester, (2S,3R,4S)-","exact_mass":390.153,"inchikey":"GHRNLKSWTKHISE-NRZPKYKESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.140839,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1CCO","spectrum_id":"CCMSLIB00000852253","spectrum_index":3859},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384879-01_C58H92O28_6-Deoxy-alpha-L-mannopyranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,5xi,6beta,9xi)-3-(beta-D-glucopyranuronosyloxy)-2,6,23-trihydroxy-28-oxoolean-12-en-28-yl]-alpha-L-arabinopyranose","exact_mass":1236.58,"inchikey":"OMFMRYFFZXXOPU-FTSKGRALSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1275.547485,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4OC(=O)[C@]56CCC(C)(C)C[C@H]5C/7=C/CC8[C@@]9(C)C[C@H](O)[C@H](O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)C(O)=O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)CC6)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852255","spectrum_index":3860},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380828-01_C20H28O3_","exact_mass":316.204,"inchikey":"AHKUFTRUMQKIPH-VQFHSHCMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.212952,"smiles":"C[C@]12CCC[C@]3(C)[C@H]1[C@@H](OC3=O)[C@H](O)[C@@]45C[C@@H](CC[C@@H]24)C(=C)C5","spectrum_id":"CCMSLIB00000852258","spectrum_index":3861},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380828-01_C20H28O3_","exact_mass":316.204,"inchikey":"AHKUFTRUMQKIPH-VQFHSHCMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":334.239594,"smiles":"C[C@]12CCC[C@]3(C)[C@H]1[C@@H](OC3=O)[C@H](O)[C@@]45C[C@@H](CC[C@@H]24)C(=C)C5","spectrum_id":"CCMSLIB00000852260","spectrum_index":3862},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380877-01_C17H20O9_Cyclohexanecarboxylic acid, 1,3,5-trihydroxy-4-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1alpha,3alpha,4alpha,5beta)-","exact_mass":368.111,"inchikey":"VTMFDSJJVNQXLT-KSQYBWRXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.12027,"smiles":"COC1=CC(=CC=C1O)\\C=C\\C(=O)O[C@H]2[C@H](O)C[C@@](O)(C[C@H]2O)C(O)=O","spectrum_id":"CCMSLIB00000852261","spectrum_index":3863},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380877-01_C17H20O9_Cyclohexanecarboxylic acid, 1,3,5-trihydroxy-4-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1alpha,3alpha,4alpha,5beta)-","exact_mass":368.111,"inchikey":"VTMFDSJJVNQXLT-KSQYBWRXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.101929,"smiles":"COC1=CC(=CC=C1O)\\C=C\\C(=O)O[C@H]2[C@H](O)C[C@@](O)(C[C@H]2O)C(O)=O","spectrum_id":"CCMSLIB00000852263","spectrum_index":3864},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380878-01_C18H28O9_Cyclopentaneacetic acid, 2-[(2Z)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxo-, (1R,2R)-","exact_mass":388.173,"inchikey":"JFDNMLUPLXZXGV-YAYCWVCRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.182648,"smiles":"OCC1OC(OCC\\C=C/C[C@@H]2[C@H](CCC2=O)CC(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852265","spectrum_index":3865},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380878-01_C18H28O9_Cyclopentaneacetic acid, 2-[(2Z)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxo-, (1R,2R)-","exact_mass":388.173,"inchikey":"JFDNMLUPLXZXGV-YAYCWVCRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.209625,"smiles":"OCC1OC(OCC\\C=C/C[C@@H]2[C@H](CCC2=O)CC(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852268","spectrum_index":3866},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380878-01_C18H28O9_Cyclopentaneacetic acid, 2-[(2Z)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxo-, (1R,2R)-","exact_mass":388.173,"inchikey":"JFDNMLUPLXZXGV-YAYCWVCRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.164459,"smiles":"OCC1OC(OCC\\C=C/C[C@@H]2[C@H](CCC2=O)CC(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852269","spectrum_index":3867},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380879-01_C23H28O7_1,3-Benzodioxole, 4-methoxy-6-[(2S,3R,4R,5S)-tetrahydro-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)-2-furanyl]-","exact_mass":416.184,"inchikey":"RKSBJQZDPAGEQW-NDTBOIMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.192749,"smiles":"COC1=CC(=CC(=C1OC)OC)[C@H]2O[C@@H]([C@H](C)[C@H]2C)C3=CC(=C4OCOC4=C3)OC","spectrum_id":"CCMSLIB00000852272","spectrum_index":3868},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380879-01_C23H28O7_1,3-Benzodioxole, 4-methoxy-6-[(2S,3R,4R,5S)-tetrahydro-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)-2-furanyl]-","exact_mass":416.184,"inchikey":"RKSBJQZDPAGEQW-NDTBOIMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.182098,"smiles":"COC1=CC(=CC(=C1OC)OC)[C@H]2O[C@@H]([C@H](C)[C@H]2C)C3=CC(=C4OCOC4=C3)OC","spectrum_id":"CCMSLIB00000852273","spectrum_index":3869},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380879-01_C23H28O7_1,3-Benzodioxole, 4-methoxy-6-[(2S,3R,4R,5S)-tetrahydro-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)-2-furanyl]-","exact_mass":416.184,"inchikey":"RKSBJQZDPAGEQW-NDTBOIMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.174652,"smiles":"COC1=CC(=CC(=C1OC)OC)[C@H]2O[C@@H]([C@H](C)[C@H]2C)C3=CC(=C4OCOC4=C3)OC","spectrum_id":"CCMSLIB00000852276","spectrum_index":3870},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384492-01_C59H96O27_beta-D-Glucopyranosiduronic acid, (3beta,5xi,9xi,16alpha,18xi)-13,28-epoxy-16-hydroxyoleanan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->3)-O-[O-beta-D-xylopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->2)]-","exact_mass":1236.61,"inchikey":"PDCAFVYIKFVFFL-DNLKNMKDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1237.612793,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@H](O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@]78OC[C@@]9(CCC(C)(C)CC79)[C@H](O)C[C@@]68C)C4(C)C)[C@@H]3O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852277","spectrum_index":3871},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384492-01_C59H96O27_beta-D-Glucopyranosiduronic acid, (3beta,5xi,9xi,16alpha,18xi)-13,28-epoxy-16-hydroxyoleanan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->3)-O-[O-beta-D-xylopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->2)]-","exact_mass":1236.61,"inchikey":"PDCAFVYIKFVFFL-DNLKNMKDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1259.594116,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@H](O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@]78OC[C@@]9(CCC(C)(C)CC79)[C@H](O)C[C@@]68C)C4(C)C)[C@@H]3O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852280","spectrum_index":3872},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384493-01_C52H82O24_(3beta,5xi,9xi,16alpha,21beta,22alpha)-21,28-Diacetoxy-16,22,24-trihydroxyolean-12-en-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranosiduronic acid","exact_mass":1090.52,"inchikey":"CJFSVYYGNWQUMQ-DBWNCVFDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1091.522705,"smiles":"CC(=O)OC[C@@]12[C@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@](C)(CO)C5CC[C@@]34C)[C@@H]1CC(C)(C)[C@@H](OC(C)=O)[C@@H]2O","spectrum_id":"CCMSLIB00000852281","spectrum_index":3873},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384493-01_C52H82O24_(3beta,5xi,9xi,16alpha,21beta,22alpha)-21,28-Diacetoxy-16,22,24-trihydroxyolean-12-en-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranosiduronic acid","exact_mass":1090.52,"inchikey":"CJFSVYYGNWQUMQ-DBWNCVFDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1113.505615,"smiles":"CC(=O)OC[C@@]12[C@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@](C)(CO)C5CC[C@@]34C)[C@@H]1CC(C)(C)[C@@H](OC(C)=O)[C@@H]2O","spectrum_id":"CCMSLIB00000852284","spectrum_index":3874},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384494-01_C55H86O24_(3beta,5xi,9xi,16alpha,21beta,22alpha)-28-Acetoxy-16,22,24-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranosiduronic acid","exact_mass":1130.55,"inchikey":"YOSIWGSGLDDTHJ-WUMBVMKGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1131.553223,"smiles":"C/C=C(C)/C(=O)O[C@H]1[C@H](O)[C@]2(COC(C)=O)[C@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@](C)(CO)C5CC[C@@]34C)[C@@H]2CC1(C)C","spectrum_id":"CCMSLIB00000852286","spectrum_index":3875},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384494-01_C55H86O24_(3beta,5xi,9xi,16alpha,21beta,22alpha)-28-Acetoxy-16,22,24-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranosiduronic acid","exact_mass":1130.55,"inchikey":"YOSIWGSGLDDTHJ-WUMBVMKGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1153.535278,"smiles":"C/C=C(C)/C(=O)O[C@H]1[C@H](O)[C@]2(COC(C)=O)[C@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@](C)(CO)C5CC[C@@]34C)[C@@H]2CC1(C)C","spectrum_id":"CCMSLIB00000852288","spectrum_index":3876},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380811-02_C23H22N4O6_1H-Imidazo[1,2-a]indole-9-propanoic acid, 2,3,9,9a-tetrahydro-1,9-dihydroxy-2,2-dimethyl-3-oxo-alpha-(4-oxo-3(4H)-quinazolinyl)-","exact_mass":450.154,"inchikey":"GVRDYBOOMKTYKH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.164459,"smiles":"CC1(C)N(O)C2N(C1=O)C3=CC=CC=C3C2(O)CC(N4\\C=N/C5=C(C=CC=C5)C4=O)C(O)=O","spectrum_id":"CCMSLIB00000852290","spectrum_index":3877},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380811-02_C23H22N4O6_1H-Imidazo[1,2-a]indole-9-propanoic acid, 2,3,9,9a-tetrahydro-1,9-dihydroxy-2,2-dimethyl-3-oxo-alpha-(4-oxo-3(4H)-quinazolinyl)-","exact_mass":450.154,"inchikey":"GVRDYBOOMKTYKH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.153961,"smiles":"CC1(C)N(O)C2N(C1=O)C3=CC=CC=C3C2(O)CC(N4\\C=N/C5=C(C=CC=C5)C4=O)C(O)=O","spectrum_id":"CCMSLIB00000852291","spectrum_index":3878},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380816-01_C11H20O7_","exact_mass":264.121,"inchikey":"GKMKEUWZFLWKKU-NBNGTGRASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.112396,"smiles":"CC(O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C","spectrum_id":"CCMSLIB00000852293","spectrum_index":3879},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380817-01_C15H20O9_","exact_mass":344.111,"inchikey":"JDNUVLAJLPVYNP-SWMGHYKJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.147278,"smiles":"OC[C@H]1O[C@@H](OC2=CC=CC(=C2O)CCC(O)=O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852295","spectrum_index":3880},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380817-01_C15H20O9_","exact_mass":344.111,"inchikey":"JDNUVLAJLPVYNP-SWMGHYKJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.102203,"smiles":"OC[C@H]1O[C@@H](OC2=CC=CC(=C2O)CCC(O)=O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852298","spectrum_index":3881},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380818-01_C17H15ClO6_7-Chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-3,4'-dione","exact_mass":350.056,"inchikey":"ISLYVROQSJYFAZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.065613,"smiles":"COC1=CC(=C2C(=O)C\\3(OC2=C1Cl)/C(=C\\C(=O)\\C=C3OC)C)OC","spectrum_id":"CCMSLIB00000852300","spectrum_index":3882},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380818-01_C17H15ClO6_7-Chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-3,4'-dione","exact_mass":350.056,"inchikey":"ISLYVROQSJYFAZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.047913,"smiles":"COC1=CC(=C2C(=O)C\\3(OC2=C1Cl)/C(=C\\C(=O)\\C=C3OC)C)OC","spectrum_id":"CCMSLIB00000852301","spectrum_index":3883},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380819-01_C16H22O9_","exact_mass":358.126,"inchikey":"VLHQGQCFFBCKMV-RSQMQNDGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.162903,"smiles":"COC1=C(CCC(O)=O)C=CC=C1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000852304","spectrum_index":3884},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380819-01_C16H22O9_","exact_mass":358.126,"inchikey":"VLHQGQCFFBCKMV-RSQMQNDGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.118347,"smiles":"COC1=C(CCC(O)=O)C=CC=C1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000852306","spectrum_index":3885},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380820-01_C19H24O7_1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-8,9,16-trihydroxy-14-methoxy-3-methyl-, (3S,8S,9R,11E)-","exact_mass":364.152,"inchikey":"WFIUAGOQGGAREU-APARVZKSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.161621,"smiles":"COC1=CC(=C2C(=O)O[C@@H](C)CCCC(=O)[C@H](O)[C@H](O)C\\C=C\\C2=C1)O","spectrum_id":"CCMSLIB00000852307","spectrum_index":3886},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380832-01_C18H21N3O3_2H-Pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione, 10-hydroxy-4-(1-methylethyl)-1-(2-methylpropylidene)-, (1Z,4S)-","exact_mass":327.158,"inchikey":"UVGDCLGJXMBOBD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":328.168427,"smiles":"CC(C)C=C1NC(=O)C(C(C)C)N\\2C(=O)C3=CC=CC(=C3\\N=C12)O","spectrum_id":"CCMSLIB00000852310","spectrum_index":3887},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168850-03_C16H20O6_1H-2-Benzopyran-6-acetic acid, 8a-ethenyloctahydro-5,7-dihydroxy-alpha,4-bis(methylene)-3-oxo-, methyl ester, (4aR,5R,6R,7S,8aR)-","exact_mass":308.126,"inchikey":"YTDYKYPXYRZGQN-SUNOKAMTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.131042,"smiles":"COC(=O)C(=C)[C@@H]1[C@@H](O)C[C@@]2(COC(=O)C(=C)[C@@H]2[C@H]1O)C=C","spectrum_id":"CCMSLIB00000852312","spectrum_index":3888},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168850-03_C16H20O6_1H-2-Benzopyran-6-acetic acid, 8a-ethenyloctahydro-5,7-dihydroxy-alpha,4-bis(methylene)-3-oxo-, methyl ester, (4aR,5R,6R,7S,8aR)-","exact_mass":308.126,"inchikey":"YTDYKYPXYRZGQN-SUNOKAMTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.112976,"smiles":"COC(=O)C(=C)[C@@H]1[C@@H](O)C[C@@]2(COC(=O)C(=C)[C@@H]2[C@H]1O)C=C","spectrum_id":"CCMSLIB00000852314","spectrum_index":3889},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169904-02_C22H24O7_1,3-Benzodioxole, 6-[4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-4-methoxy-","exact_mass":400.152,"inchikey":"UTPBMRNHPNUBLT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.146729,"smiles":"COC1=C(OC)C=C(C=C1)C2OCC3C2COC3C4=CC(=C5OCOC5=C4)OC","spectrum_id":"CCMSLIB00000852316","spectrum_index":3890},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381009-01_C24H30O12_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-oxo-, 2-(4-hydroxyphenyl)ethyl ester, (1S,4aR,7aR)-","exact_mass":510.174,"inchikey":"KBDOXLBZVFQTMH-RXRQAHPVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":511.176849,"smiles":"CC1CC(=O)[C@@]\\2(O)[C@@H]1[C@@H](O\\C=C2C(=O)OCCC3=CC=C(O)C=C3)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000852318","spectrum_index":3891},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381009-01_C24H30O12_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-oxo-, 2-(4-hydroxyphenyl)ethyl ester, (1S,4aR,7aR)-","exact_mass":510.174,"inchikey":"KBDOXLBZVFQTMH-RXRQAHPVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":533.157898,"smiles":"CC1CC(=O)[C@@]\\2(O)[C@@H]1[C@@H](O\\C=C2C(=O)OCCC3=CC=C(O)C=C3)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000852320","spectrum_index":3892},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381016-01_C38H44O16_Cyclohexanecarboxylic acid, 2-[(2-cyclopenten-1-ylcarbonyl)oxy]-1,6-dihydroxy-3-oxo-, [2-[[2,6-bis-O-(2-cyclopenten-1-ylcarbonyl)hexopyranosyl]oxy]-5-hydroxyphenyl]methyl ester","exact_mass":756.263,"inchikey":"VAZXQMYIQNKBRG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.263,"smiles":"OC1CCC(=O)C(OC(=O)C\\2CC\\C=C2)C1(O)C(=O)OCC3=CC(=CC=C3OC4OC(COC(=O)C\\5CC\\C=C5)C(O)C(O)C4OC(=O)C\\6CC\\C=C6)O","spectrum_id":"CCMSLIB00000852321","spectrum_index":3893},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381016-01_C38H44O16_Cyclohexanecarboxylic acid, 2-[(2-cyclopenten-1-ylcarbonyl)oxy]-1,6-dihydroxy-3-oxo-, [2-[[2,6-bis-O-(2-cyclopenten-1-ylcarbonyl)hexopyranosyl]oxy]-5-hydroxyphenyl]methyl ester","exact_mass":756.263,"inchikey":"VAZXQMYIQNKBRG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":779.244568,"smiles":"OC1CCC(=O)C(OC(=O)C\\2CC\\C=C2)C1(O)C(=O)OCC3=CC(=CC=C3OC4OC(COC(=O)C\\5CC\\C=C5)C(O)C(O)C4OC(=O)C\\6CC\\C=C6)O","spectrum_id":"CCMSLIB00000852324","spectrum_index":3894},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381019-01_C33H40O10_1H-Cyclopentacyclododecene-4,10(2H,5H)-dione, 3a,9,13-tris(acetyloxy)-1-(benzoyloxy)-3,3a,8,9,13,13a-hexahydro-2,5,8,8,12-pentamethyl-, (6E,11E)-","exact_mass":596.262,"inchikey":"MVZQKKYLZHTDHU-VNXILKCPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":597.264099,"smiles":"CC1CC2(OC(C)=O)C(C1OC(=O)C3=CC=CC=C3)C(OC(C)=O)C(=C/C(=O)C(OC(C)=O)C(C)(C)/C=C/C(C)C2=O)/C","spectrum_id":"CCMSLIB00000852325","spectrum_index":3895},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381019-01_C33H40O10_1H-Cyclopentacyclododecene-4,10(2H,5H)-dione, 3a,9,13-tris(acetyloxy)-1-(benzoyloxy)-3,3a,8,9,13,13a-hexahydro-2,5,8,8,12-pentamethyl-, (6E,11E)-","exact_mass":596.262,"inchikey":"MVZQKKYLZHTDHU-VNXILKCPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":614.29071,"smiles":"CC1CC2(OC(C)=O)C(C1OC(=O)C3=CC=CC=C3)C(OC(C)=O)C(=C/C(=O)C(OC(C)=O)C(C)(C)/C=C/C(C)C2=O)/C","spectrum_id":"CCMSLIB00000852328","spectrum_index":3896},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381019-01_C33H40O10_1H-Cyclopentacyclododecene-4,10(2H,5H)-dione, 3a,9,13-tris(acetyloxy)-1-(benzoyloxy)-3,3a,8,9,13,13a-hexahydro-2,5,8,8,12-pentamethyl-, (6E,11E)-","exact_mass":596.262,"inchikey":"MVZQKKYLZHTDHU-VNXILKCPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":619.245605,"smiles":"CC1CC2(OC(C)=O)C(C1OC(=O)C3=CC=CC=C3)C(OC(C)=O)C(=C/C(=O)C(OC(C)=O)C(C)(C)/C=C/C(C)C2=O)/C","spectrum_id":"CCMSLIB00000852329","spectrum_index":3897},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347372-02_C45H74O17_beta-D-Glucopyranoside, (3beta,5beta,9xi,14xi,25S)-spirostan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-[beta-D-glucopyranosyl-(1->2)]-","exact_mass":886.493,"inchikey":"BCUDKRWNGQAFLF-GYMZVKDOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":887.494019,"smiles":"C[C@H]1CC[C@@]2(OC1)O[C@H]3CC4[C@@H]5CC[C@@H]6C[C@H](CC[C@]6(C)C5CC[C@]4(C)[C@H]3[C@@H]2C)O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00000852331","spectrum_index":3898},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347372-02_C45H74O17_beta-D-Glucopyranoside, (3beta,5beta,9xi,14xi,25S)-spirostan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-[beta-D-glucopyranosyl-(1->2)]-","exact_mass":886.493,"inchikey":"BCUDKRWNGQAFLF-GYMZVKDOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":909.476013,"smiles":"C[C@H]1CC[C@@]2(OC1)O[C@H]3CC4[C@@H]5CC[C@@H]6C[C@H](CC[C@]6(C)C5CC[C@]4(C)[C@H]3[C@@H]2C)O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00000852333","spectrum_index":3899},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385146-01_C32H54O15_1,3,4,6-Tetrakis-O-(3-methylbutanoyl)-beta-D-fructofuranosyl alpha-D-glucopyranoside","exact_mass":678.346,"inchikey":"SKOYDNZXMHBVBB-CBMGPWMLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":696.376282,"smiles":"CC(C)CC(=O)OC[C@H]1O[C@@](COC(=O)CC(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C","spectrum_id":"CCMSLIB00000852335","spectrum_index":3900},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385146-01_C32H54O15_1,3,4,6-Tetrakis-O-(3-methylbutanoyl)-beta-D-fructofuranosyl alpha-D-glucopyranoside","exact_mass":678.346,"inchikey":"SKOYDNZXMHBVBB-CBMGPWMLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":701.332459,"smiles":"CC(C)CC(=O)OC[C@H]1O[C@@](COC(=O)CC(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C","spectrum_id":"CCMSLIB00000852337","spectrum_index":3901},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385147-01_C16H18O8_beta-D-Glucopyranoside, 4,8-dihydroxy-1-naphthalenyl","exact_mass":338.1,"inchikey":"LASMTIIWUCJLEH-YMILTQATSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.107605,"smiles":"OC[C@H]1O[C@@H](OC2=CC=C(O)C3=CC=CC(=C23)O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852339","spectrum_index":3902},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385147-01_C16H18O8_beta-D-Glucopyranoside, 4,8-dihydroxy-1-naphthalenyl","exact_mass":338.1,"inchikey":"LASMTIIWUCJLEH-YMILTQATSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.089386,"smiles":"OC[C@H]1O[C@@H](OC2=CC=C(O)C3=CC=CC(=C23)O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852341","spectrum_index":3903},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385148-01_C37H42O13_(1S,2R,4S,5R,6S,7S,8R,9R,12R)-4,7,12-Triacetoxy-6-(acetoxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane-5,8-diyl dibenzoate","exact_mass":694.263,"inchikey":"PACOALGXOJLUSI-CEVVBJQHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":695.267456,"smiles":"C[C@@H]1C[C@H](OC(C)=O)[C@H](OC(=O)C2=CC=CC=C2)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(=O)C4=CC=CC=C4)[C@@H]5[C@@H](OC(C)=O)[C@]13OC5(C)C","spectrum_id":"CCMSLIB00000852343","spectrum_index":3904},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385148-01_C37H42O13_(1S,2R,4S,5R,6S,7S,8R,9R,12R)-4,7,12-Triacetoxy-6-(acetoxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane-5,8-diyl dibenzoate","exact_mass":694.263,"inchikey":"PACOALGXOJLUSI-CEVVBJQHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":712.293091,"smiles":"C[C@@H]1C[C@H](OC(C)=O)[C@H](OC(=O)C2=CC=CC=C2)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(=O)C4=CC=CC=C4)[C@@H]5[C@@H](OC(C)=O)[C@]13OC5(C)C","spectrum_id":"CCMSLIB00000852346","spectrum_index":3905},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385148-01_C37H42O13_(1S,2R,4S,5R,6S,7S,8R,9R,12R)-4,7,12-Triacetoxy-6-(acetoxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane-5,8-diyl dibenzoate","exact_mass":694.263,"inchikey":"PACOALGXOJLUSI-CEVVBJQHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":717.248657,"smiles":"C[C@@H]1C[C@H](OC(C)=O)[C@H](OC(=O)C2=CC=CC=C2)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(=O)C4=CC=CC=C4)[C@@H]5[C@@H](OC(C)=O)[C@]13OC5(C)C","spectrum_id":"CCMSLIB00000852348","spectrum_index":3906},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169369-02_C18H24O7_(3aR,4S,5aR,6R,9aS,9bS)-6-Hydroxy-5a-methyl-3-methylene-2,9-dioxododecahydronaphtho[1,2-b]furan-4-yl 3-hydroxy-2-methylpropanoate","exact_mass":352.152,"inchikey":"QKSRJNOHZIOCSF-KWFAMOQRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.160828,"smiles":"CC(CO)C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CCC(=O)[C@@H]2[C@H]3OC(=O)C(=C)[C@H]13","spectrum_id":"CCMSLIB00000852350","spectrum_index":3907},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169512-02_C15H14O5_2(5H)-Furanone, 4-methoxy-5-[methoxy[(2R,3S)-3-phenyloxiranyl]methylene]-, (5E)-","exact_mass":274.084,"inchikey":"RTNGMIUMJUOABT-ONKYJICLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.092224,"smiles":"COC\\1=C\\C(=O)OC1=C(/OC)[C@@H]2O[C@H]2C3=CC=CC=C3","spectrum_id":"CCMSLIB00000852352","spectrum_index":3908},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179711-03_C20H30O6_2(5H)-Furanone, 5-hydroxy-4-[2-(octahydro-2,3-dihydroxy-5,6,8a-trimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl)ethyl]-","exact_mass":366.204,"inchikey":"QMWJARHMJRTJMQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":384.239471,"smiles":"CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CC\\C4=C\\C(=O)OC4O","spectrum_id":"CCMSLIB00000852354","spectrum_index":3909},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179711-03_C20H30O6_2(5H)-Furanone, 5-hydroxy-4-[2-(octahydro-2,3-dihydroxy-5,6,8a-trimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl)ethyl]-","exact_mass":366.204,"inchikey":"QMWJARHMJRTJMQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":408.240417,"smiles":"CC1CCC2(C)C(CC(O)C(O)C23CO3)C1(C)CC\\C4=C\\C(=O)OC4O","spectrum_id":"CCMSLIB00000852356","spectrum_index":3910},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179976-03_C34H42O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({2,4-Di-O-acetyl-6-deoxy-3-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":722.242,"inchikey":"XTDOKCBBQODVJW-LTDPXCIYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":740.275085,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](OC(C)=O)[C@H](OC(=O)\\C=C\\C6=CC=CC=C6)[C@H]1OC(C)=O","spectrum_id":"CCMSLIB00000852358","spectrum_index":3911},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179976-03_C34H42O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({2,4-Di-O-acetyl-6-deoxy-3-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":722.242,"inchikey":"XTDOKCBBQODVJW-LTDPXCIYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":745.229736,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](OC(C)=O)[C@H](OC(=O)\\C=C\\C6=CC=CC=C6)[C@H]1OC(C)=O","spectrum_id":"CCMSLIB00000852360","spectrum_index":3912},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180458-02_C18H24O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, (1S,4aS,5S,7aS)-","exact_mass":432.127,"inchikey":"DGDWCRWJRNMRKX-DILZHRMZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.125153,"smiles":"CC(=O)OC\\C1=C\\[C@H](O)[C@H]\\2[C@@H]1[C@@H](O\\C=C2C(O)=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000852361","spectrum_index":3913},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180458-02_C18H24O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, (1S,4aS,5S,7aS)-","exact_mass":432.127,"inchikey":"DGDWCRWJRNMRKX-DILZHRMZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.161987,"smiles":"CC(=O)OC\\C1=C\\[C@H](O)[C@H]\\2[C@@H]1[C@@H](O\\C=C2C(O)=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000852363","spectrum_index":3914},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180458-02_C18H24O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, (1S,4aS,5S,7aS)-","exact_mass":432.127,"inchikey":"DGDWCRWJRNMRKX-DILZHRMZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.116974,"smiles":"CC(=O)OC\\C1=C\\[C@H](O)[C@H]\\2[C@@H]1[C@@H](O\\C=C2C(O)=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000852365","spectrum_index":3915},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380574-01_C39H44O18_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[6-deoxy-3,4-bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl","exact_mass":800.253,"inchikey":"BRXNFHGWRDJMSF-HNQOWBRJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":801.262512,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](O)[C@H](OC(=O)/C=C/C6=CC=C(O)C=C6)[C@H]1OC(=O)/C=C/C7=CC=C(O)C=C7","spectrum_id":"CCMSLIB00000852368","spectrum_index":3916},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380574-01_C39H44O18_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[6-deoxy-3,4-bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl","exact_mass":800.253,"inchikey":"BRXNFHGWRDJMSF-HNQOWBRJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":818.284119,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](O)[C@H](OC(=O)/C=C/C6=CC=C(O)C=C6)[C@H]1OC(=O)/C=C/C7=CC=C(O)C=C7","spectrum_id":"CCMSLIB00000852370","spectrum_index":3917},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380575-01_C49H78O18_Olean-12-en-28-oic acid, 23-hydroxy-3-[[O-pentopyranosyl-(1->3)-O--6-deoxyhexopyranosyl-(1->4)-6-O-acetylhexopyranosyl]oxy]-, (3beta,5xi,9xi)-","exact_mass":954.519,"inchikey":"JDQAJUDONPAIME-KAOHWJMUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":955.52356,"smiles":"CC1OC(OC2C(O)C(O)C(OC2COC(C)=O)O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4C\\C=C/6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(O)=O)[C@]3(C)CO)C(O)C(OC8OCC(O)C(O)C8O)C1O","spectrum_id":"CCMSLIB00000852372","spectrum_index":3918},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380575-01_C49H78O18_Olean-12-en-28-oic acid, 23-hydroxy-3-[[O-pentopyranosyl-(1->3)-O--6-deoxyhexopyranosyl-(1->4)-6-O-acetylhexopyranosyl]oxy]-, (3beta,5xi,9xi)-","exact_mass":954.519,"inchikey":"JDQAJUDONPAIME-KAOHWJMUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":977.504944,"smiles":"CC1OC(OC2C(O)C(O)C(OC2COC(C)=O)O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4C\\C=C/6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(O)=O)[C@]3(C)CO)C(O)C(OC8OCC(O)C(O)C8O)C1O","spectrum_id":"CCMSLIB00000852374","spectrum_index":3919},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380581-01_C26H38O8_(4a'R,5'S,6'R,6a'S,7'R,10a'R,10b'R)-6'-Acetoxy-4a',6a',10b'-trimethyl-5-oxododecahydro-2'H-dispiro[furan-3,3'-benzo[f]chromene-7',2''-oxiran]-5'-yl 2-methylpropanoate","exact_mass":478.257,"inchikey":"NLLJGJGLOHFJMI-FDPZVKDNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.264587,"smiles":"CC(C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(C)[C@H](CCC[C@]23CO3)[C@@]4(C)CCC5(COC(=O)C5)O[C@@]14C","spectrum_id":"CCMSLIB00000852375","spectrum_index":3920},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380581-01_C26H38O8_(4a'R,5'S,6'R,6a'S,7'R,10a'R,10b'R)-6'-Acetoxy-4a',6a',10b'-trimethyl-5-oxododecahydro-2'H-dispiro[furan-3,3'-benzo[f]chromene-7',2''-oxiran]-5'-yl 2-methylpropanoate","exact_mass":478.257,"inchikey":"NLLJGJGLOHFJMI-FDPZVKDNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":496.291077,"smiles":"CC(C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(C)[C@H](CCC[C@]23CO3)[C@@]4(C)CCC5(COC(=O)C5)O[C@@]14C","spectrum_id":"CCMSLIB00000852377","spectrum_index":3921},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180427-03_C41H56N8O7_1,4,7,10,13,16,19-Heptaazacyclotricosane-2,5,8,11,14,17,20-heptone, 3-(1H-indol-3-ylmethyl)-6,18-dimethyl-9,15-bis(1-methylethyl)-12-(1-phenylethyl)-","exact_mass":772.427,"inchikey":"NZNSTOHSZZLSNP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":773.430725,"smiles":"CC(C)C1NC(=O)C(C)NC(=O)CCCNC(=O)C(CC2=C[NH]C3=C2C=CC=C3)NC(=O)C(C)NC(=O)C(NC(=O)C(NC1=O)C(C)C4=CC=CC=C4)C(C)C","spectrum_id":"CCMSLIB00000852380","spectrum_index":3922},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180427-03_C41H56N8O7_1,4,7,10,13,16,19-Heptaazacyclotricosane-2,5,8,11,14,17,20-heptone, 3-(1H-indol-3-ylmethyl)-6,18-dimethyl-9,15-bis(1-methylethyl)-12-(1-phenylethyl)-","exact_mass":772.427,"inchikey":"NZNSTOHSZZLSNP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.41217,"smiles":"CC(C)C1NC(=O)C(C)NC(=O)CCCNC(=O)C(CC2=C[NH]C3=C2C=CC=C3)NC(=O)C(C)NC(=O)C(NC(=O)C(NC1=O)C(C)C4=CC=CC=C4)C(C)C","spectrum_id":"CCMSLIB00000852381","spectrum_index":3923},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347832-02_C19H22N2O9_Uridine, 2'-(2,4-dimethoxy-6-methylbenzoate)","exact_mass":422.133,"inchikey":"DOVSRUBRIYLZCI-BASLNEPJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.13916,"smiles":"COC1=CC(=C(C(=O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2N3\\C=C/C(=O)NC3=O)C(=C1)OC)C","spectrum_id":"CCMSLIB00000852383","spectrum_index":3924},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347837-02_C42H58N8O7_1,4,7,10,13,16,19-Heptaazacyclotricosane-2,5,8,11,14,17,20-heptone, 3-(1H-indol-3-ylmethyl)-6,18-dimethyl-15-(1-methylethyl)-9-(2-methylpropyl)-12-(1-phenylethyl)-","exact_mass":786.443,"inchikey":"JYHXDMQYXCMDPF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":787.445923,"smiles":"CC(C)CC1NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)CCCNC(=O)C(CC2=C[NH]C3=CC=CC=C23)NC(=O)C(C)NC1=O)C(C)C)C(C)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000852386","spectrum_index":3925},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347837-02_C42H58N8O7_1,4,7,10,13,16,19-Heptaazacyclotricosane-2,5,8,11,14,17,20-heptone, 3-(1H-indol-3-ylmethyl)-6,18-dimethyl-15-(1-methylethyl)-9-(2-methylpropyl)-12-(1-phenylethyl)-","exact_mass":786.443,"inchikey":"JYHXDMQYXCMDPF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":809.427124,"smiles":"CC(C)CC1NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)CCCNC(=O)C(CC2=C[NH]C3=CC=CC=C23)NC(=O)C(C)NC1=O)C(C)C)C(C)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000852387","spectrum_index":3926},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381060-01_C24H32O7_Benzoic acid, 4-hydroxy-, (1aS,2aR,3S,5R,6S,7aR)-3-(acetyloxy)decahydro-5-hydroxy-2a,7a-dimethyl-5-(1-methylethyl)azuleno[5,6-b]oxiren-6-yl ester","exact_mass":432.215,"inchikey":"QNFWPNYXMSTZBB-UPZSWZDZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.210083,"smiles":"CC(C)[C@]1(O)C[C@H](OC(C)=O)[C@]2(C)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)C4=CC=C(O)C=C4)C12","spectrum_id":"CCMSLIB00000852390","spectrum_index":3927},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381061-01_C30H51N5O9_Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, 16-(2,3-dihydroxypropyl)dodecahydro-5,8,9,21-tetramethyl-6-(1-methylethyl)-3-(1-methylpropyl)-","exact_mass":625.369,"inchikey":"FFVWTCUZUPVJAB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":626.373779,"smiles":"CCC(C)C1NC(=O)C2C(C)CCN2C(=O)C(CC(O)CO)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000852392","spectrum_index":3928},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381061-01_C30H51N5O9_Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, 16-(2,3-dihydroxypropyl)dodecahydro-5,8,9,21-tetramethyl-6-(1-methylethyl)-3-(1-methylpropyl)-","exact_mass":625.369,"inchikey":"FFVWTCUZUPVJAB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":648.355347,"smiles":"CCC(C)C1NC(=O)C2C(C)CCN2C(=O)C(CC(O)CO)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000852394","spectrum_index":3929},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381062-01_C32H36N4O2_8a,16a-Bis(2-methyl-3-buten-2-yl)-5a,8,8a,13,13a,15a,16,16a-octahydroindolo[3''',2''':4'',5'']pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-7,15(5H,7aH)-dione","exact_mass":508.284,"inchikey":"VKEAHNPKYMHYJJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":509.290009,"smiles":"CC(C)(C=C)C12CC3N(C1NC4=C2C=CC=C4)C(=O)C5CC6(C(NC7=CC=CC=C67)N5C3=O)C(C)(C)C=C","spectrum_id":"CCMSLIB00000852396","spectrum_index":3930},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381063-01_C23H32O6_2H,9H-Naphtho[2,1-b]pyrano[3,2-e]pyran-1,11(5H,10H)-dione, 3-(acetyloxy)-3,4,4a,6,6a,12,12a,12b-octahydro-4,4,6a,9,12b-pentamethyl-","exact_mass":404.22,"inchikey":"RGLPHKBIBOUYQQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.226593,"smiles":"CC1CC(=O)C/2=C(O1)/OC3(C)CCC4C(C)(C)C(CC(=O)C4(C)C3C2)OC(C)=O","spectrum_id":"CCMSLIB00000852398","spectrum_index":3931},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381063-01_C23H32O6_2H,9H-Naphtho[2,1-b]pyrano[3,2-e]pyran-1,11(5H,10H)-dione, 3-(acetyloxy)-3,4,4a,6,6a,12,12a,12b-octahydro-4,4,6a,9,12b-pentamethyl-","exact_mass":404.22,"inchikey":"RGLPHKBIBOUYQQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.208496,"smiles":"CC1CC(=O)C/2=C(O1)/OC3(C)CCC4C(C)(C)C(CC(=O)C4(C)C3C2)OC(C)=O","spectrum_id":"CCMSLIB00000852399","spectrum_index":3932},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381066-01_C26H38O8_1H-Naphtho[1,2-c]pyran-7-propanoic acid, dodecahydro-8-(1-hydroxy-1-methylethyl)-3-(methoxycarbonyl)-3,4a,7,10a-tetramethyl-5-methylene-1,4-dioxo-","exact_mass":478.257,"inchikey":"JNZBACSLMIGXCA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.252533,"smiles":"COC(=O)C1(C)OC(=O)C2C3(C)CCC(C(C)(C)O)C(C)(CCC(O)=O)C3CC(=C)C2(C)C1=O","spectrum_id":"CCMSLIB00000852402","spectrum_index":3933},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381066-01_C26H38O8_1H-Naphtho[1,2-c]pyran-7-propanoic acid, dodecahydro-8-(1-hydroxy-1-methylethyl)-3-(methoxycarbonyl)-3,4a,7,10a-tetramethyl-5-methylene-1,4-dioxo-","exact_mass":478.257,"inchikey":"JNZBACSLMIGXCA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":496.289581,"smiles":"COC(=O)C1(C)OC(=O)C2C3(C)CCC(C(C)(C)O)C(C)(CCC(O)=O)C3CC(=C)C2(C)C1=O","spectrum_id":"CCMSLIB00000852404","spectrum_index":3934},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168892-03_C30H38O17_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[6-deoxy-3-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl","exact_mass":670.211,"inchikey":"MFIJTASICGGFJA-LAJFDIHTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":671.217834,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](O)[C@H](OC(=O)\\C=C\\C6=CC(=C(O)C=C6)O)[C@H]1O","spectrum_id":"CCMSLIB00000852406","spectrum_index":3935},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168892-03_C30H38O17_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[6-deoxy-3-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl","exact_mass":670.211,"inchikey":"MFIJTASICGGFJA-LAJFDIHTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":693.199402,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](O)[C@H](OC(=O)\\C=C\\C6=CC(=C(O)C=C6)O)[C@H]1O","spectrum_id":"CCMSLIB00000852408","spectrum_index":3936},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168908-03_C33H42O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({3-O-Acetyl-6-deoxy-2-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":710.242,"inchikey":"AUVKOEQGZIDTGI-FHCQAZNMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":711.248169,"smiles":"COC1=CC=C(\\C=C\\C(=O)O[C@H]2[C@@H](O[C@@H](C)[C@H](O)[C@H]2OC(C)=O)O[C@H]3[C@@H]4\\C=C/O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4[C@@]6(CO)O[C@@H]36)C=C1","spectrum_id":"CCMSLIB00000852410","spectrum_index":3937},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168908-03_C33H42O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({3-O-Acetyl-6-deoxy-2-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":710.242,"inchikey":"AUVKOEQGZIDTGI-FHCQAZNMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":728.27478,"smiles":"COC1=CC=C(\\C=C\\C(=O)O[C@H]2[C@@H](O[C@@H](C)[C@H](O)[C@H]2OC(C)=O)O[C@H]3[C@@H]4\\C=C/O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4[C@@]6(CO)O[C@@H]36)C=C1","spectrum_id":"CCMSLIB00000852412","spectrum_index":3938},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168908-03_C33H42O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({3-O-Acetyl-6-deoxy-2-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":710.242,"inchikey":"AUVKOEQGZIDTGI-FHCQAZNMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":733.230225,"smiles":"COC1=CC=C(\\C=C\\C(=O)O[C@H]2[C@@H](O[C@@H](C)[C@H](O)[C@H]2OC(C)=O)O[C@H]3[C@@H]4\\C=C/O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4[C@@]6(CO)O[C@@H]36)C=C1","spectrum_id":"CCMSLIB00000852414","spectrum_index":3939},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168996-02_C15H18O4_4-Hydroxy-6,9-dimethyl-3-methylene-3a,5,6,6a,7,9b-hexahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione","exact_mass":262.121,"inchikey":"VNVJJYZZBJKJFF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.128235,"smiles":"CC1CC(O)C2C(OC(=O)C2=C)\\C3=C(/C)C(=O)CC13","spectrum_id":"CCMSLIB00000852416","spectrum_index":3940},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169148-03_C22H26O12_Benzoic acid, 4-hydroxy-, 1-(hexopyranosyloxy)-1,4a,5,7a-tetrahydro-4a-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-5-yl ester","exact_mass":482.142,"inchikey":"RUMMZUFGTMKLMC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":505.132355,"smiles":"OCC1OC(OC2O\\C=C/C3(O)C(OC(=O)C4=CC=C(O)C=C4)\\C=C(\\CO)C23)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852421","spectrum_index":3941},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169346-02_C23H28O11_Methyl (3R,4R,5R)-3,4-dihydroxy-5-({6-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate","exact_mass":480.163,"inchikey":"DOFMBNVUGRDDTK-NZNOAPCVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.170776,"smiles":"COC(=O)\\C1=C\\[C@@H](O)[C@@H](O)[C@@H](C1)O[C@@H]2O[C@H](COC(=O)\\C=C\\C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000852423","spectrum_index":3942},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169346-02_C23H28O11_Methyl (3R,4R,5R)-3,4-dihydroxy-5-({6-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate","exact_mass":480.163,"inchikey":"DOFMBNVUGRDDTK-NZNOAPCVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":498.197266,"smiles":"COC(=O)\\C1=C\\[C@@H](O)[C@@H](O)[C@@H](C1)O[C@@H]2O[C@H](COC(=O)\\C=C\\C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000852426","spectrum_index":3943},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169346-02_C23H28O11_Methyl (3R,4R,5R)-3,4-dihydroxy-5-({6-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate","exact_mass":480.163,"inchikey":"DOFMBNVUGRDDTK-NZNOAPCVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.15332,"smiles":"COC(=O)\\C1=C\\[C@@H](O)[C@@H](O)[C@@H](C1)O[C@@H]2O[C@H](COC(=O)\\C=C\\C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000852428","spectrum_index":3944},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380452-01_C20H24O10_2-Cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, [2-(beta-D-glucopyranosyloxy)phenyl]methyl ester","exact_mass":424.137,"inchikey":"CZDNLUMNELLDDD-QZFWYPLZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":442.171326,"smiles":"OC[C@H]1O[C@@H](OC2=C(COC(=O)C3(O)\\C=C/CCC3=O)C=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852429","spectrum_index":3945},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380452-01_C20H24O10_2-Cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, [2-(beta-D-glucopyranosyloxy)phenyl]methyl ester","exact_mass":424.137,"inchikey":"CZDNLUMNELLDDD-QZFWYPLZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.127197,"smiles":"OC[C@H]1O[C@@H](OC2=C(COC(=O)C3(O)\\C=C/CCC3=O)C=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852432","spectrum_index":3946},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380453-01_C64H96O26_Pregn-5-en-20-one, 11-(acetyloxy)-12-(benzoyloxy)-3-[[O-hexopyranosyl-(1->4)-O--6-deoxy-3-O-methylhexopyranosyl-(1->4)-O--2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-O--2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy]-8,14-dihydroxy-, (3beta,9xi,11alpha,12beta,14beta)-","exact_mass":1280.62,"inchikey":"QJRVMRSNTLYPQD-JABYDRCCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1303.599976,"smiles":"COC1CC(OC(C)C1OC2CC(OC)C(OC3CC(OC)C(OC4OC(C)C(OC5OC(CO)C(O)C(O)C5O)C(OC)C4O)C(C)O3)C(C)O2)O[C@H]6CC[C@]7(C)C8[C@H](OC(C)=O)[C@@H](OC(=O)C9=CC=CC=C9)[C@]%10(C)[C@H](CC[C@]%10(O)[C@]8(O)C\\C=C7\\C6)C(C)=O","spectrum_id":"CCMSLIB00000852433","spectrum_index":3947},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384614-01_C20H28O12_4-Acetyl-2-methoxyphenyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside","exact_mass":460.158,"inchikey":"PBILEZBWIBJOSA-UMSLJHCASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":483.149231,"smiles":"COC1=C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=CC(=C1)C(C)=O","spectrum_id":"CCMSLIB00000852435","spectrum_index":3948},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384617-01_C27H44O16_(1S,4aS,6S,7R,7aS)-4-({[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}methyl)-6-hydroxy-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl 3-methylbutanoate","exact_mass":624.263,"inchikey":"AKTRFOPOAKDICT-GHHIWPQQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":647.251465,"smiles":"CC(C)CC(=O)O[C@@H]1O\\C=C(CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)/[C@H]4C[C@H](O)[C@@H](CO)[C@@H]14","spectrum_id":"CCMSLIB00000852437","spectrum_index":3949},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384618-01_C33H50O10_(1beta,3beta,9xi,11alpha,14xi)-1,3,11-Trihydroxyfurosta-5,20(22),25-trien-27-yl beta-D-glucopyranoside","exact_mass":606.34,"inchikey":"FTAAFHHJONDBNZ-XGMCOULJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":607.347839,"smiles":"CC/1=C(CCC(=C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/O[C@H]3CC4[C@@H]5C/C=C6/C[C@@H](O)C[C@@H](O)[C@]6(C)C5[C@H](O)C[C@]4(C)[C@@H]13","spectrum_id":"CCMSLIB00000852439","spectrum_index":3950},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384618-01_C33H50O10_(1beta,3beta,9xi,11alpha,14xi)-1,3,11-Trihydroxyfurosta-5,20(22),25-trien-27-yl beta-D-glucopyranoside","exact_mass":606.34,"inchikey":"FTAAFHHJONDBNZ-XGMCOULJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":589.337097,"smiles":"CC/1=C(CCC(=C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/O[C@H]3CC4[C@@H]5C/C=C6/C[C@@H](O)C[C@@H](O)[C@]6(C)C5[C@H](O)C[C@]4(C)[C@@H]13","spectrum_id":"CCMSLIB00000852441","spectrum_index":3951},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384618-01_C33H50O10_(1beta,3beta,9xi,11alpha,14xi)-1,3,11-Trihydroxyfurosta-5,20(22),25-trien-27-yl beta-D-glucopyranoside","exact_mass":606.34,"inchikey":"FTAAFHHJONDBNZ-XGMCOULJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":629.328979,"smiles":"CC/1=C(CCC(=C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/O[C@H]3CC4[C@@H]5C/C=C6/C[C@@H](O)C[C@@H](O)[C@]6(C)C5[C@H](O)C[C@]4(C)[C@@H]13","spectrum_id":"CCMSLIB00000852443","spectrum_index":3952},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384620-01_C60H96O23_(3beta,9xi,12beta,14beta)-3-{[beta-D-Glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1->4)-6-deoxy-3-O-methyl-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl]oxy}-14-hydroxy-20-oxopregn-5-en-12-yl (2E)-2-methyl-2-butenoate","exact_mass":1184.63,"inchikey":"SBLHVFBFTNNATA-UEHPQYKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1207.614014,"smiles":"CO[C@H]1C[C@@H](O[C@H](C)[C@H]1O[C@H]2C[C@H](OC)[C@H](O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@H](OC)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](C)O4)[C@H](OC)[C@H]3O)[C@@H](C)O2)O[C@H]6CC[C@]7(C)C8C[C@@H](OC(=O)\\C(C)=C\\C)[C@]9(C)[C@H](CC[C@]9(O)[C@@H]8C/C=C7/C6)C(C)=O","spectrum_id":"CCMSLIB00000852446","spectrum_index":3953},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384621-01_C15H22O3_2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-3,6-dihydroxy-4a,5-dimethyl-3-(1-methylethenyl)-, (3S,4aR,5R,6R)-","exact_mass":250.157,"inchikey":"SFNQVDIXXKZSCB-BTQDYEIMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.154541,"smiles":"C[C@H]1[C@H](O)CC\\C2=C\\C(=O)[C@](O)(C[C@]12C)C(C)=C","spectrum_id":"CCMSLIB00000852448","spectrum_index":3954},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384621-01_C15H22O3_2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-3,6-dihydroxy-4a,5-dimethyl-3-(1-methylethenyl)-, (3S,4aR,5R,6R)-","exact_mass":250.157,"inchikey":"SFNQVDIXXKZSCB-BTQDYEIMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.147369,"smiles":"C[C@H]1[C@H](O)CC\\C2=C\\C(=O)[C@](O)(C[C@]12C)C(C)=C","spectrum_id":"CCMSLIB00000852450","spectrum_index":3955},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384622-01_C34H42O14_(1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-5-[(2-methylbutanoyl)oxy]-11-oxatricyclo[7.2.1.0~1,6~]dodecane-4,7-diyl di(3-furoate)","exact_mass":674.257,"inchikey":"REUGOQDHLPXDSB-JEZMLUOZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":692.291077,"smiles":"CCC(C)C(=O)O[C@H]1[C@H](C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)C4=COC=C4)[C@]12COC(C)=O)[C@H]3OC(C)=O)OC(=O)C5=COC=C5","spectrum_id":"CCMSLIB00000852452","spectrum_index":3956},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386109-01_C50H64O16_","exact_mass":920.419,"inchikey":"LYENYJFQVIXEAI-GIVVQHCESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":903.412354,"smiles":"COC1=C(C(=CC=C1)C)C(=O)O[C@@H]2C[C@@H](O[C@H](C)[C@H]2O)O[C@H]3[C@H](O)C[C@@H](O[C@@H]3C)O[C@@H]4CCC[C@H]5[C@H]4\\C=C/[C@@H]6CCCC\\C=C\\[C@H]7\\C=C(/[C@@H](C)C[C@@]7\\8OC(=O)\\C(=C8O)OC(=O)[C@]56C)C(O)=O","spectrum_id":"CCMSLIB00000852454","spectrum_index":3957},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247310-03_C15H20O4_(3S,3aS,5aR,9R,9aS,9bS)-9-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,6(3H,4H)-dione","exact_mass":264.136,"inchikey":"NGPDZEACIWDCKX-WUDKWMPASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.145813,"smiles":"C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)\\C=C/C3=O","spectrum_id":"CCMSLIB00000852456","spectrum_index":3958},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247310-03_C15H20O4_(3S,3aS,5aR,9R,9aS,9bS)-9-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,6(3H,4H)-dione","exact_mass":264.136,"inchikey":"NGPDZEACIWDCKX-WUDKWMPASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.172546,"smiles":"C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)\\C=C/C3=O","spectrum_id":"CCMSLIB00000852458","spectrum_index":3959},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00346663-03_C16H22O10_(1S,4aS,7aS)-1-(beta-D-Glucopyranosyloxy)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":374.121,"inchikey":"ZJDOESGVOWAULF-OGJQONSISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.114288,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C(/[C@H]3C\\C=C(CO)/[C@@H]23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852460","spectrum_index":3960},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347358-02_C38H58O15_Card-20(22)-enolide, 1-(acetyloxy)-3-[[(1R)-4-O-(6-deoxy-3-O-methylhexopyranosyl)hexopyranosyl]oxy]-14-hydroxy-, (1beta,3beta,8xi,9xi)-","exact_mass":754.378,"inchikey":"XWYDFNHNSVTJFP-CSVIMRPTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":755.387817,"smiles":"COC1C(O)C(C)OC(OC2C(O)C(O)[C@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@H](CC[C@]56O)\\C7=C\\C(=O)OC7)[C@@]4(C)[C@@H](C3)OC(C)=O)OC2CO)C1O","spectrum_id":"CCMSLIB00000852462","spectrum_index":3961},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347358-02_C38H58O15_Card-20(22)-enolide, 1-(acetyloxy)-3-[[(1R)-4-O-(6-deoxy-3-O-methylhexopyranosyl)hexopyranosyl]oxy]-14-hydroxy-, (1beta,3beta,8xi,9xi)-","exact_mass":754.378,"inchikey":"XWYDFNHNSVTJFP-CSVIMRPTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":772.414429,"smiles":"COC1C(O)C(C)OC(OC2C(O)C(O)[C@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@H](CC[C@]56O)\\C7=C\\C(=O)OC7)[C@@]4(C)[C@@H](C3)OC(C)=O)OC2CO)C1O","spectrum_id":"CCMSLIB00000852464","spectrum_index":3962},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347358-02_C38H58O15_Card-20(22)-enolide, 1-(acetyloxy)-3-[[(1R)-4-O-(6-deoxy-3-O-methylhexopyranosyl)hexopyranosyl]oxy]-14-hydroxy-, (1beta,3beta,8xi,9xi)-","exact_mass":754.378,"inchikey":"XWYDFNHNSVTJFP-CSVIMRPTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":777.369141,"smiles":"COC1C(O)C(C)OC(OC2C(O)C(O)[C@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@H](CC[C@]56O)\\C7=C\\C(=O)OC7)[C@@]4(C)[C@@H](C3)OC(C)=O)OC2CO)C1O","spectrum_id":"CCMSLIB00000852466","spectrum_index":3963},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347562-02_C19H26O5_Propanoic acid, 2-methyl-, (3S,3aR,4S,4aR,7aR,8R,9aR)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4-yl ester","exact_mass":334.178,"inchikey":"WKUOPGZYLRFCHJ-APDQSUQKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.170624,"smiles":"CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]3\\C=C/C(=O)[C@@]13C","spectrum_id":"CCMSLIB00000852468","spectrum_index":3964},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385309-01_C15H16O3_(1R)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.0~2,6~]pentadeca-2(6),3,8,12(15)-tetraen-13-one","exact_mass":244.11,"inchikey":"LWCKQMHMTSRRAA-QGQQYVBWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.119629,"smiles":"CC/1=C\\CC\\C2=C\\[C@@H](OC2=O)C3=C(C1)OC=C3C","spectrum_id":"CCMSLIB00000852470","spectrum_index":3965},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385310-01_C26H34O13_Methyl (4aS,5R,7S,7aS)-1-(beta-D-glucopyranosyloxy)-7-hydroxy-5-{[3-(4-hydroxyphenyl)propanoyl]oxy}-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":554.2,"inchikey":"GODSXGJMZIRXOG-QAYRTFGPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":572.237732,"smiles":"COC(=O)C/1=C/OC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)O)OC(=O)CCC4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000852471","spectrum_index":3966},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385310-01_C26H34O13_Methyl (4aS,5R,7S,7aS)-1-(beta-D-glucopyranosyloxy)-7-hydroxy-5-{[3-(4-hydroxyphenyl)propanoyl]oxy}-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":554.2,"inchikey":"GODSXGJMZIRXOG-QAYRTFGPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.192993,"smiles":"COC(=O)C/1=C/OC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)O)OC(=O)CCC4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000852473","spectrum_index":3967},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168968-03_C24H28O11_[(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl (2E)-3-phenylacrylate","exact_mass":492.163,"inchikey":"SCIGYBYAZUFDLA-LUVHZPKESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.173737,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3[C@H](O)[C@@H]4O[C@]4(COC(=O)\\C=C\\C5=CC=CC=C5)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852480","spectrum_index":3968},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168968-03_C24H28O11_[(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl (2E)-3-phenylacrylate","exact_mass":492.163,"inchikey":"SCIGYBYAZUFDLA-LUVHZPKESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":515.155151,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3[C@H](O)[C@@H]4O[C@]4(COC(=O)\\C=C\\C5=CC=CC=C5)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852481","spectrum_index":3969},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169007-03_C25H28O11_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-[[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]methyl]-, (1S,4aS,7aS)-","exact_mass":504.163,"inchikey":"VTQUQEWGIJRVHB-VHPPWYILSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":505.173828,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C(/[C@H]3C\\C=C(\\COC(=O)\\C=C\\C4=CC=CC=C4)[C@@H]23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852483","spectrum_index":3970},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180565-02_C15H20O3_5-Azuleneacetic acid, 1,2,4,5,6,7,8,8a-octahydro-3,8-dimethyl-alpha-methylene-2-oxo-, (5R,8S,8aS)-","exact_mass":248.141,"inchikey":"ZFHSKBJBODQVBX-AXTRIDKLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.150375,"smiles":"C[C@H]1CC[C@H](C\\C2=C(/C)C(=O)C[C@@H]12)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000852485","spectrum_index":3971},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385165-01_C22H26O10_1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-methoxyphenyl)-","exact_mass":450.153,"inchikey":"GOTAZLUFLPHQJU-MIUGBVLSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.162567,"smiles":"COC1=CC=C(CCC(=O)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C(O)C=C2O)C=C1","spectrum_id":"CCMSLIB00000852487","spectrum_index":3972},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385165-01_C22H26O10_1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-methoxyphenyl)-","exact_mass":450.153,"inchikey":"GOTAZLUFLPHQJU-MIUGBVLSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":473.144958,"smiles":"COC1=CC=C(CCC(=O)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C(O)C=C2O)C=C1","spectrum_id":"CCMSLIB00000852489","spectrum_index":3973},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385211-01_C42H66O14_Olean-12-en-28-oic acid, 3-[(3-O-beta-D-glucopyranosyl-beta-D-glucopyranuronosyl)oxy]-, (3beta)-","exact_mass":794.445,"inchikey":"BQPYEFAVIPEQIK-HXOKXTOWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.452881,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(O)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000852491","spectrum_index":3974},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385211-01_C42H66O14_Olean-12-en-28-oic acid, 3-[(3-O-beta-D-glucopyranosyl-beta-D-glucopyranuronosyl)oxy]-, (3beta)-","exact_mass":794.445,"inchikey":"BQPYEFAVIPEQIK-HXOKXTOWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":812.479492,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(O)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000852493","spectrum_index":3975},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385211-01_C42H66O14_Olean-12-en-28-oic acid, 3-[(3-O-beta-D-glucopyranosyl-beta-D-glucopyranuronosyl)oxy]-, (3beta)-","exact_mass":794.445,"inchikey":"BQPYEFAVIPEQIK-HXOKXTOWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":817.434448,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(O)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000852495","spectrum_index":3976},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385212-01_C52H82O21_Hexopyranose, 1-O-[[10-[[O--6-deoxyhexopyranosyl-(1->4)-O-[pentopyranosyl-(1->3)]hexopyranosyl]oxy]-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-6a,6b,9,9,12a-pentamethyl-2-methylene-4a(2H)-picenyl]carbonyl]-","exact_mass":1042.53,"inchikey":"ZTRKHQRICPULDJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1043.539185,"smiles":"CC1OC(OC2C(CO)OC(OC3CCC4(C)C(CCC5(C)C4C\\C=C/6C7CC(=C)CCC7(CCC56C)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)C(O)C2OC9OCC(O)C(O)C9O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852497","spectrum_index":3977},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385212-01_C52H82O21_Hexopyranose, 1-O-[[10-[[O--6-deoxyhexopyranosyl-(1->4)-O-[pentopyranosyl-(1->3)]hexopyranosyl]oxy]-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-6a,6b,9,9,12a-pentamethyl-2-methylene-4a(2H)-picenyl]carbonyl]-","exact_mass":1042.53,"inchikey":"ZTRKHQRICPULDJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1060.563965,"smiles":"CC1OC(OC2C(CO)OC(OC3CCC4(C)C(CCC5(C)C4C\\C=C/6C7CC(=C)CCC7(CCC56C)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)C(O)C2OC9OCC(O)C(O)C9O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852499","spectrum_index":3978},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385212-01_C52H82O21_Hexopyranose, 1-O-[[10-[[O--6-deoxyhexopyranosyl-(1->4)-O-[pentopyranosyl-(1->3)]hexopyranosyl]oxy]-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-6a,6b,9,9,12a-pentamethyl-2-methylene-4a(2H)-picenyl]carbonyl]-","exact_mass":1042.53,"inchikey":"ZTRKHQRICPULDJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1065.520264,"smiles":"CC1OC(OC2C(CO)OC(OC3CCC4(C)C(CCC5(C)C4C\\C=C/6C7CC(=C)CCC7(CCC56C)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)C(O)C2OC9OCC(O)C(O)C9O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852502","spectrum_index":3979},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385214-01_C35H54O9_beta-D-Xylopyranoside, 1,3,4,6,7,7a,7b,8,9,10,11,13,13a,15,15a-pentadecahydro-13-hydroxy-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyl-10,12a-epoxy-2H,5H-cyclopropa[1',8'a]naphth[2',1':4,5]indeno[2,1-b]oxepin-2-yl","exact_mass":618.377,"inchikey":"LTVCFOSNIVVOBK-RSGHPYSYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":619.386047,"smiles":"CC1CC2OC3(OC2C(C)(C)O)C(O)C4(C)C/5=C/CC6C(C)(C)C(CCC67CC57CCC4(C)C13)O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000852503","spectrum_index":3980},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385214-01_C35H54O9_beta-D-Xylopyranoside, 1,3,4,6,7,7a,7b,8,9,10,11,13,13a,15,15a-pentadecahydro-13-hydroxy-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyl-10,12a-epoxy-2H,5H-cyclopropa[1',8'a]naphth[2',1':4,5]indeno[2,1-b]oxepin-2-yl","exact_mass":618.377,"inchikey":"LTVCFOSNIVVOBK-RSGHPYSYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":636.412415,"smiles":"CC1CC2OC3(OC2C(C)(C)O)C(O)C4(C)C/5=C/CC6C(C)(C)C(CCC67CC57CCC4(C)C13)O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000852506","spectrum_index":3981},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385214-01_C35H54O9_beta-D-Xylopyranoside, 1,3,4,6,7,7a,7b,8,9,10,11,13,13a,15,15a-pentadecahydro-13-hydroxy-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyl-10,12a-epoxy-2H,5H-cyclopropa[1',8'a]naphth[2',1':4,5]indeno[2,1-b]oxepin-2-yl","exact_mass":618.377,"inchikey":"LTVCFOSNIVVOBK-RSGHPYSYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":641.36853,"smiles":"CC1CC2OC3(OC2C(C)(C)O)C(O)C4(C)C/5=C/CC6C(C)(C)C(CCC67CC57CCC4(C)C13)O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000852507","spectrum_index":3982},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385214-01_C35H54O9_beta-D-Xylopyranoside, 1,3,4,6,7,7a,7b,8,9,10,11,13,13a,15,15a-pentadecahydro-13-hydroxy-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyl-10,12a-epoxy-2H,5H-cyclopropa[1',8'a]naphth[2',1':4,5]indeno[2,1-b]oxepin-2-yl","exact_mass":618.377,"inchikey":"LTVCFOSNIVVOBK-RSGHPYSYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":660.412781,"smiles":"CC1CC2OC3(OC2C(C)(C)O)C(O)C4(C)C/5=C/CC6C(C)(C)C(CCC67CC57CCC4(C)C13)O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000852509","spectrum_index":3983},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385267-01_C15H20O4_2-(6-Hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-5-azulenyl)acrylic acid","exact_mass":264.136,"inchikey":"XZYBSTWAAUDUQG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.13472,"smiles":"CC1CC(O)C(CC/2=C(C)/C(=O)CC12)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000852511","spectrum_index":3984},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385267-01_C15H20O4_2-(6-Hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-5-azulenyl)acrylic acid","exact_mass":264.136,"inchikey":"XZYBSTWAAUDUQG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":306.172668,"smiles":"CC1CC(O)C(CC/2=C(C)/C(=O)CC12)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000852513","spectrum_index":3985},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169905-02_C15H24O3_2-Pentenoic acid, 5-(3-hydroxy-2,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-methyl-, (2E)-","exact_mass":252.173,"inchikey":"QPVGQZZKAUMQSM-BJMVGYQFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.169037,"smiles":"C\\C(=C/CCC1(C)C2CCC(C2)C1(C)O)C(O)=O","spectrum_id":"CCMSLIB00000852516","spectrum_index":3986},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380250-01_C21H23NO8_(2E)-4-({(3S,3aR,4E,7aS)-7-Hydroxy-4-[(2E,4E)-1-hydroxy-2,4-hexadien-1-ylidene]-3,6,7a-trimethyl-2,5-dioxo-2,3,3a,4,5,7a-hexahydro-1-benzofuran-3-yl}amino)-4-oxo-2-butenoic acid","exact_mass":417.142,"inchikey":"WVVJWXDENDJFEC-YXFPCCPDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.149597,"smiles":"C\\C=C\\C=C\\C(O)=C/1[C@@H]2[C@](C)(NC(=O)\\C=C\\C(O)=O)C(=O)O[C@]2(C)C(=C(C)\\C1=O)/O","spectrum_id":"CCMSLIB00000852518","spectrum_index":3987},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380250-01_C21H23NO8_(2E)-4-({(3S,3aR,4E,7aS)-7-Hydroxy-4-[(2E,4E)-1-hydroxy-2,4-hexadien-1-ylidene]-3,6,7a-trimethyl-2,5-dioxo-2,3,3a,4,5,7a-hexahydro-1-benzofuran-3-yl}amino)-4-oxo-2-butenoic acid","exact_mass":417.142,"inchikey":"WVVJWXDENDJFEC-YXFPCCPDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":440.131378,"smiles":"C\\C=C\\C=C\\C(O)=C/1[C@@H]2[C@](C)(NC(=O)\\C=C\\C(O)=O)C(=O)O[C@]2(C)C(=C(C)\\C1=O)/O","spectrum_id":"CCMSLIB00000852520","spectrum_index":3988},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380254-01_C17H21N3O3_10b-Hydroxy-3-isobutyl-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione","exact_mass":315.158,"inchikey":"FQWZUBQXMVKRSM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.165619,"smiles":"CC(C)CC1NC(=O)C2CC3(O)C(NC4=CC=CC=C34)N2C1=O","spectrum_id":"CCMSLIB00000852522","spectrum_index":3989},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380254-01_C17H21N3O3_10b-Hydroxy-3-isobutyl-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione","exact_mass":315.158,"inchikey":"FQWZUBQXMVKRSM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.155182,"smiles":"CC(C)CC1NC(=O)C2CC3(O)C(NC4=CC=CC=C34)N2C1=O","spectrum_id":"CCMSLIB00000852523","spectrum_index":3990},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380255-01_C21H27ClO5_6H-2-Benzopyran-6-one, 8-(acetyloxy)-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-1,7,8,8a-tetrahydro-7-hydroxy-7-methyl-, (7R,8R,8aR)-","exact_mass":394.155,"inchikey":"MMOJJYPBNVVCGY-CTQGMABPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.161713,"smiles":"CC[C@H](C)\\C=C(C)\\C=C\\C1=C\\C2=C(Cl)\\C(=O)[C@](C)(O)[C@H](OC(C)=O)[C@H]2CO1","spectrum_id":"CCMSLIB00000852525","spectrum_index":3991},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380255-01_C21H27ClO5_6H-2-Benzopyran-6-one, 8-(acetyloxy)-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-1,7,8,8a-tetrahydro-7-hydroxy-7-methyl-, (7R,8R,8aR)-","exact_mass":394.155,"inchikey":"MMOJJYPBNVVCGY-CTQGMABPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.144501,"smiles":"CC[C@H](C)\\C=C(C)\\C=C\\C1=C\\C2=C(Cl)\\C(=O)[C@](C)(O)[C@H](OC(C)=O)[C@H]2CO1","spectrum_id":"CCMSLIB00000852527","spectrum_index":3992},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380263-01_C20H26O6_2-Butenoic acid, 2-methyl-, decahydro-3',5'a-dimethyl-2'-oxospiro[oxirane-2,8'(2'H)-oxireno[6,7]naphtho[1,2-b]furan]-6'-yl ester, (2Z)-","exact_mass":362.173,"inchikey":"SZSNPNCTSHASFJ-UITAMQMPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.16925,"smiles":"C\\C=C(C)/C(=O)OC1C2OC2C3(CO3)C4C5OC(=O)C(C)C5CCC14C","spectrum_id":"CCMSLIB00000852530","spectrum_index":3993},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380263-01_C20H26O6_2-Butenoic acid, 2-methyl-, decahydro-3',5'a-dimethyl-2'-oxospiro[oxirane-2,8'(2'H)-oxireno[6,7]naphtho[1,2-b]furan]-6'-yl ester, (2Z)-","exact_mass":362.173,"inchikey":"SZSNPNCTSHASFJ-UITAMQMPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":380.206512,"smiles":"C\\C=C(C)/C(=O)OC1C2OC2C3(CO3)C4C5OC(=O)C(C)C5CCC14C","spectrum_id":"CCMSLIB00000852531","spectrum_index":3994},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380265-01_C19H26O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, methyl ester, (1S,4aS,5S,7aS)-","exact_mass":446.142,"inchikey":"YSOBQIMODQOGKQ-HOZAMIDDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.139435,"smiles":"COC(=O)/C1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]\\3[C@@H]1[C@@H](O)\\C=C3COC(C)=O","spectrum_id":"CCMSLIB00000852534","spectrum_index":3995},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380265-01_C19H26O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, methyl ester, (1S,4aS,5S,7aS)-","exact_mass":446.142,"inchikey":"YSOBQIMODQOGKQ-HOZAMIDDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":464.175995,"smiles":"COC(=O)/C1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]\\3[C@@H]1[C@@H](O)\\C=C3COC(C)=O","spectrum_id":"CCMSLIB00000852536","spectrum_index":3996},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380265-01_C19H26O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, methyl ester, (1S,4aS,5S,7aS)-","exact_mass":446.142,"inchikey":"YSOBQIMODQOGKQ-HOZAMIDDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.131348,"smiles":"COC(=O)/C1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]\\3[C@@H]1[C@@H](O)\\C=C3COC(C)=O","spectrum_id":"CCMSLIB00000852537","spectrum_index":3997},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380268-01_C19H30O8_2-Cyclohexen-1-one, 4-[(1E)-3-(beta-D-glucopyranosyloxy)-4-hydroxy-1-buten-1-yl]-3,5,5-trimethyl-, (4R)-","exact_mass":386.194,"inchikey":"PYYCXUBJCCEGKB-SNPWQJEQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.201294,"smiles":"CC/1=C/C(=O)CC(C)(C)[C@H]1\\C=C\\C(CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000852539","spectrum_index":3998},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380271-01_C24H40O11_2-Cyclohexen-1-one, 3,5,5-trimethyl-4-[3-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]butyl]-","exact_mass":504.257,"inchikey":"LYJZPTUVRHPVNB-WRZQMYAXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":505.263519,"smiles":"CC(CCC1\\C(=C/C(=O)CC1(C)C)C)O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000852541","spectrum_index":3999},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380271-01_C24H40O11_2-Cyclohexen-1-one, 3,5,5-trimethyl-4-[3-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]butyl]-","exact_mass":504.257,"inchikey":"LYJZPTUVRHPVNB-WRZQMYAXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":527.245117,"smiles":"CC(CCC1\\C(=C/C(=O)CC1(C)C)C)O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000852543","spectrum_index":4000},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179975-02_C15H16O4_Azuleno[4,5-b]furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-9a-hydroxy-6,9-dimethyl-3-methylene-, (9aR,9bS)-","exact_mass":260.105,"inchikey":"YHDASZCBNPALIL-HQPFYNDMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.112549,"smiles":"C\\C1=C2/C(=O)/C=C(/C)[C@]2(O)[C@H]3OC(=O)C(=C)C3CC1","spectrum_id":"CCMSLIB00000852546","spectrum_index":4001},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00262533-03_C19H22N2O_(3alpha,16alpha)-14,15-Dihydroeburnamenin-14-one","exact_mass":294.173,"inchikey":"WYJAPUKIYAZSEM-MOPGFXCFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.18161,"smiles":"CC[C@@]12CCCN3CCC4=C([C@H]13)[N](C(=O)C2)C5=CC=CC=C45","spectrum_id":"CCMSLIB00000852548","spectrum_index":4002},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347501-02_C20H28O3_1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, (1S,4aS,5R)-","exact_mass":316.204,"inchikey":"ZQHJXKYYELWEOK-RNHVSHAASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.211395,"smiles":"C[C@@]12CCC[C@@](C)(C1CCC(=C)[C@H]2CCC3=COC=C3)C(O)=O","spectrum_id":"CCMSLIB00000852550","spectrum_index":4003},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347731-02_C26H32O12_beta-D-Glucopyranoside, 2-methoxy-4-[(1S,3aS,4R,6aR)-tetrahydro-3a-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl","exact_mass":536.189,"inchikey":"GQLQVPZSTWXDBQ-ZOKOZUFBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":554.222839,"smiles":"COC1=CC(=CC=C1O)[C@H]2OC[C@@H]3[C@H](OC[C@]23O)C4=CC=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=C4)OC","spectrum_id":"CCMSLIB00000852552","spectrum_index":4004},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347731-02_C26H32O12_beta-D-Glucopyranoside, 2-methoxy-4-[(1S,3aS,4R,6aR)-tetrahydro-3a-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl","exact_mass":536.189,"inchikey":"GQLQVPZSTWXDBQ-ZOKOZUFBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.178162,"smiles":"COC1=CC(=CC=C1O)[C@H]2OC[C@@H]3[C@H](OC[C@]23O)C4=CC=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=C4)OC","spectrum_id":"CCMSLIB00000852554","spectrum_index":4005},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385268-01_C30H38O11_3H-4,11b-Propano-1H-oxireno[1',5']cyclopenta[1',2':5,6]naphtho[1,2-c]pyran-11(9H)-one, 10,14-bis(acetyloxy)-9-(3-furanyl)decahydro-3,6,12-trihydroxy-4,6a,9a-trimethyl-, (3R,4aR,6R,6aS,6bS,7aR,9S,9aR,10R,11aR,11bS,12S,14R)-","exact_mass":574.241,"inchikey":"NAHTXVIXCMUDLF-QFVYBNKASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":575.248291,"smiles":"CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@H](O)[C@]1(C)C2C[C@@H](O)[C@]4(C)C3C(=O)[C@H](OC(C)=O)[C@@]5(C)[C@@H](C[C@H]6O[C@@]456)C7=COC=C7","spectrum_id":"CCMSLIB00000852555","spectrum_index":4006},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385268-01_C30H38O11_3H-4,11b-Propano-1H-oxireno[1',5']cyclopenta[1',2':5,6]naphtho[1,2-c]pyran-11(9H)-one, 10,14-bis(acetyloxy)-9-(3-furanyl)decahydro-3,6,12-trihydroxy-4,6a,9a-trimethyl-, (3R,4aR,6R,6aS,6bS,7aR,9S,9aR,10R,11aR,11bS,12S,14R)-","exact_mass":574.241,"inchikey":"NAHTXVIXCMUDLF-QFVYBNKASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":557.237915,"smiles":"CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@H](O)[C@]1(C)C2C[C@@H](O)[C@]4(C)C3C(=O)[C@H](OC(C)=O)[C@@]5(C)[C@@H](C[C@H]6O[C@@]456)C7=COC=C7","spectrum_id":"CCMSLIB00000852557","spectrum_index":4007},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385268-01_C30H38O11_3H-4,11b-Propano-1H-oxireno[1',5']cyclopenta[1',2':5,6]naphtho[1,2-c]pyran-11(9H)-one, 10,14-bis(acetyloxy)-9-(3-furanyl)decahydro-3,6,12-trihydroxy-4,6a,9a-trimethyl-, (3R,4aR,6R,6aS,6bS,7aR,9S,9aR,10R,11aR,11bS,12S,14R)-","exact_mass":574.241,"inchikey":"NAHTXVIXCMUDLF-QFVYBNKASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":597.229858,"smiles":"CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@H](O)[C@]1(C)C2C[C@@H](O)[C@]4(C)C3C(=O)[C@H](OC(C)=O)[C@@]5(C)[C@@H](C[C@H]6O[C@@]456)C7=COC=C7","spectrum_id":"CCMSLIB00000852559","spectrum_index":4008},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385269-01_C26H32O13_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-7-methyl-6-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-, methyl ester, (4aR,6S,7R,7aS)-","exact_mass":552.184,"inchikey":"YRARGBWFOYODHQ-KHTUMDHASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":575.172791,"smiles":"COC(=O)C/1=C/OC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@]13O)OC(=O)/C=C/C4=CC=CC=C4","spectrum_id":"CCMSLIB00000852561","spectrum_index":4009},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385270-01_C20H28O4_5-[2-(3-Furyl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid","exact_mass":332.199,"inchikey":"XWKYXEIGWQYOCY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.206573,"smiles":"CC1CC(O)C\\2(C)C(CC\\C=C2C(O)=O)C1(C)CCC3=COC=C3","spectrum_id":"CCMSLIB00000852563","spectrum_index":4010},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385270-01_C20H28O4_5-[2-(3-Furyl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid","exact_mass":332.199,"inchikey":"XWKYXEIGWQYOCY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.196045,"smiles":"CC1CC(O)C\\2(C)C(CC\\C=C2C(O)=O)C1(C)CCC3=COC=C3","spectrum_id":"CCMSLIB00000852565","spectrum_index":4011},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385271-01_C26H34O12_beta-D-Glucopyranoside, 2-methoxy-4-[(2R,3R,4S)-tetrahydro-4-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)-2-furanyl]phenyl","exact_mass":538.205,"inchikey":"OXHVZEZYYQQCRJ-CKVJHJBGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.201538,"smiles":"COC1=C(O)C=CC(=C1)C[C@@]2(O)CO[C@H]([C@H]2CO)C3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=C3)OC","spectrum_id":"CCMSLIB00000852568","spectrum_index":4012},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385271-01_C26H34O12_beta-D-Glucopyranoside, 2-methoxy-4-[(2R,3R,4S)-tetrahydro-4-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)-2-furanyl]phenyl","exact_mass":538.205,"inchikey":"OXHVZEZYYQQCRJ-CKVJHJBGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.192871,"smiles":"COC1=C(O)C=CC(=C1)C[C@@]2(O)CO[C@H]([C@H]2CO)C3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=C3)OC","spectrum_id":"CCMSLIB00000852570","spectrum_index":4013},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016333-05_C14H13NO4_4,7,8-Trimethoxyfuro[2,3-b]quinoline","exact_mass":259.084,"inchikey":"SLSIBLKBHNKZTB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":260.093567,"smiles":"COC1=C(OC)C2=NC3=C(C=CO3)C(=C2C=C1)OC","spectrum_id":"CCMSLIB00000852571","spectrum_index":4014},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016333-05_C14H13NO4_4,7,8-Trimethoxyfuro[2,3-b]quinoline","exact_mass":259.084,"inchikey":"SLSIBLKBHNKZTB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.074615,"smiles":"COC1=C(OC)C2=NC3=C(C=CO3)C(=C2C=C1)OC","spectrum_id":"CCMSLIB00000852573","spectrum_index":4015},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347780-02_C38H61NO9_3-[(2-Acetamido-2-deoxyhexopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid","exact_mass":675.435,"inchikey":"ZZVZUHRMTUSANL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":676.441345,"smiles":"CC(=O)NC1C(O)C(O)C(CO)OC1OC2CCC3(C)C(CCC4(C)C3C\\C=C5\\C6CC(C)(C)CCC6(C(O)CC45C)C(O)=O)C2(C)C","spectrum_id":"CCMSLIB00000852576","spectrum_index":4016},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347780-02_C38H61NO9_3-[(2-Acetamido-2-deoxyhexopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid","exact_mass":675.435,"inchikey":"ZZVZUHRMTUSANL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":698.423706,"smiles":"CC(=O)NC1C(O)C(O)C(CO)OC1OC2CCC3(C)C(CCC4(C)C3C\\C=C5\\C6CC(C)(C)CCC6(C(O)CC45C)C(O)=O)C2(C)C","spectrum_id":"CCMSLIB00000852577","spectrum_index":4017},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347834-02_C20H30O5_6,10a-Dihydroxy-4-(hydroxymethyl)-4,7,11b-trimethyl-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-9(1H)-one","exact_mass":350.209,"inchikey":"LLKIVVHUJOPYIV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.217834,"smiles":"CC/1C2C(O)CC3C(C)(CO)CCCC3(C)C2CC4(O)OC(=O)\\C=C14","spectrum_id":"CCMSLIB00000852579","spectrum_index":4018},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347834-02_C20H30O5_6,10a-Dihydroxy-4-(hydroxymethyl)-4,7,11b-trimethyl-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-9(1H)-one","exact_mass":350.209,"inchikey":"LLKIVVHUJOPYIV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.207062,"smiles":"CC/1C2C(O)CC3C(C)(CO)CCCC3(C)C2CC4(O)OC(=O)\\C=C14","spectrum_id":"CCMSLIB00000852581","spectrum_index":4019},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380477-01_C24H32O7_Benzoic acid, 4-hydroxy-, (3R,4S,8aS)-2-(acetyloxy)-1,2,3,3a,4,7,8,8a-octahydro-3,8-dihydroxy-6,8a-dimethyl-3-(1-methylethyl)-4-azulenyl ester","exact_mass":432.215,"inchikey":"KHLABRVSJLTKHQ-WTOMSVJDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.212067,"smiles":"CC(C)[C@]1(O)C(C[C@]2(C)C(O)CC(=C\\[C@H](OC(=O)C3=CC=C(O)C=C3)C12)/C)OC(C)=O","spectrum_id":"CCMSLIB00000852583","spectrum_index":4020},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380479-01_C36H58O11_beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,6beta,9xi,19alpha)-2,3,6,19-tetrahydroxy-28-oxoolean-12-en-28-yl]-","exact_mass":666.398,"inchikey":"DRZYJIXQEOTQDA-VETDSPFISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":684.43158,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5[C@H](O)C[C@@]34C)[C@@H]2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000852586","spectrum_index":4021},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380481-01_C23H28O13S_","exact_mass":544.125,"inchikey":"MZHPYFUVDWYNQP-MIDFUKFWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":562.159119,"smiles":"C[C@@]12CC3(OC(O1)[C@]4(COC(=O)C5=CC=CC=C5)[C@H]3C[C@]24O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[S+](O)([O-])=O","spectrum_id":"CCMSLIB00000852588","spectrum_index":4022},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380481-01_C23H28O13S_","exact_mass":544.125,"inchikey":"MZHPYFUVDWYNQP-MIDFUKFWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":567.114319,"smiles":"C[C@@]12CC3(OC(O1)[C@]4(COC(=O)C5=CC=CC=C5)[C@H]3C[C@]24O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[S+](O)([O-])=O","spectrum_id":"CCMSLIB00000852590","spectrum_index":4023},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347503-03_C22H38O8_Spiro[naphthalene-1(2H),2'-oxirane]-2,3-diol, octahydro-5,6,8a-trimethyl-5-[2-(tetrahydro-3,4-dihydroxy-2,5-dimethoxy-3-furanyl)ethyl]-","exact_mass":430.257,"inchikey":"RLYPFWBODVDUHT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":472.291565,"smiles":"COC1OC(OC)C(O)(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C34CO4)C1O","spectrum_id":"CCMSLIB00000852591","spectrum_index":4024},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347632-02_C22H34O5_7-Oxabicyclo[4.1.0]heptane-2,3,5-triol, 4-methylene-1-[[1,4,4a,5,6,7,8,8a-octahydro-5-(hydroxymethyl)-2,5,8a-trimethyl-1-naphthalenyl]methyl]-","exact_mass":378.241,"inchikey":"GVERAYRFYVBXKO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.248535,"smiles":"C\\C1=C\\CC2C(C)(CO)CCCC2(C)C1CC34OC3C(O)C(=C)C(O)C4O","spectrum_id":"CCMSLIB00000852593","spectrum_index":4025},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347632-02_C22H34O5_7-Oxabicyclo[4.1.0]heptane-2,3,5-triol, 4-methylene-1-[[1,4,4a,5,6,7,8,8a-octahydro-5-(hydroxymethyl)-2,5,8a-trimethyl-1-naphthalenyl]methyl]-","exact_mass":378.241,"inchikey":"GVERAYRFYVBXKO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.237732,"smiles":"C\\C1=C\\CC2C(C)(CO)CCCC2(C)C1CC34OC3C(O)C(=C)C(O)C4O","spectrum_id":"CCMSLIB00000852596","spectrum_index":4026},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380336-01_C18H17ClO6_(1aS,2Z,4E,14R,15aS)-8-Chloro-9,11-dihydroxy-14-methyl-1a,14,15,15a-tetrahydro-6H-oxireno[e][2]benzoxacyclotetradecine-6,12(7H)-dione","exact_mass":364.071,"inchikey":"WYZWZEOGROVVHK-RPJJWQTDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.079224,"smiles":"C[C@@H]1C[C@@H]2O[C@H]2\\C=C/C=C/C(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1","spectrum_id":"CCMSLIB00000852597","spectrum_index":4027},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380338-01_C20H30O4_Spiro[naphthalene-1(2H),2'-oxirane]-2,3-diol, 5-[2-(3-furanyl)ethyl]octahydro-5,6,8a-trimethyl-, (1R,2S,3R,5S,6R,8aR)-","exact_mass":334.214,"inchikey":"DORFFLQTHPKFDY-OVOGFQNCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":352.248596,"smiles":"C[C@@H]1CC[C@]2(C)C(C[C@@H](O)[C@H](O)[C@]23CO3)[C@@]1(C)CCC4=COC=C4","spectrum_id":"CCMSLIB00000852599","spectrum_index":4028},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380339-01_C15H19NO4_2-Pentenamide, 2-methyl-5-[(1R,3S,6R,9S)-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0~3,9~]non-9-yl]-4-oxo-, (2E)-","exact_mass":277.131,"inchikey":"TYVDSDRHCMXTGB-MRKBZMLLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":278.139313,"smiles":"C\\C(=C/C(=O)C[C@@]12[C@H]3CC[C@@](C)(OC1=O)[C@@H]2C3)C(N)=O","spectrum_id":"CCMSLIB00000852602","spectrum_index":4029},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380339-01_C15H19NO4_2-Pentenamide, 2-methyl-5-[(1R,3S,6R,9S)-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0~3,9~]non-9-yl]-4-oxo-, (2E)-","exact_mass":277.131,"inchikey":"TYVDSDRHCMXTGB-MRKBZMLLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":260.128632,"smiles":"C\\C(=C/C(=O)C[C@@]12[C@H]3CC[C@@](C)(OC1=O)[C@@H]2C3)C(N)=O","spectrum_id":"CCMSLIB00000852603","spectrum_index":4030},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380339-01_C15H19NO4_2-Pentenamide, 2-methyl-5-[(1R,3S,6R,9S)-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0~3,9~]non-9-yl]-4-oxo-, (2E)-","exact_mass":277.131,"inchikey":"TYVDSDRHCMXTGB-MRKBZMLLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.165466,"smiles":"C\\C(=C/C(=O)C[C@@]12[C@H]3CC[C@@](C)(OC1=O)[C@@H]2C3)C(N)=O","spectrum_id":"CCMSLIB00000852605","spectrum_index":4031},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380339-01_C15H19NO4_2-Pentenamide, 2-methyl-5-[(1R,3S,6R,9S)-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0~3,9~]non-9-yl]-4-oxo-, (2E)-","exact_mass":277.131,"inchikey":"TYVDSDRHCMXTGB-MRKBZMLLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.121582,"smiles":"C\\C(=C/C(=O)C[C@@]12[C@H]3CC[C@@](C)(OC1=O)[C@@H]2C3)C(N)=O","spectrum_id":"CCMSLIB00000852607","spectrum_index":4032},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380340-01_C10H14O4_2H-Oxecin-2-one, 5,8,9,10-tetrahydro-5,8-dihydroxy-10-methyl-, (3Z,6E)-","exact_mass":198.089,"inchikey":"MKPZLFSGCUYQEY-IAROGAJJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":181.085983,"smiles":"CC1CC(O)\\C=C\\C(O)\\C=C/C(=O)O1","spectrum_id":"CCMSLIB00000852609","spectrum_index":4033},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380340-01_C10H14O4_2H-Oxecin-2-one, 5,8,9,10-tetrahydro-5,8-dihydroxy-10-methyl-, (3Z,6E)-","exact_mass":198.089,"inchikey":"MKPZLFSGCUYQEY-IAROGAJJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":221.078674,"smiles":"CC1CC(O)\\C=C\\C(O)\\C=C/C(=O)O1","spectrum_id":"CCMSLIB00000852611","spectrum_index":4034},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380349-01_C25H30O13_Cyclopenta[c]pyran-4-carboxylic acid, 6-(acetyloxy)-5-(benzoyloxy)-1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-","exact_mass":538.169,"inchikey":"IRSUXHBCTWMHAK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":539.176147,"smiles":"CC1C(OC(C)=O)C(OC(=O)C2=CC=CC=C2)C\\3C1C(O\\C=C3C(O)=O)OC4OC(CO)C(O)C(O)C4O","spectrum_id":"CCMSLIB00000852613","spectrum_index":4035},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380349-01_C25H30O13_Cyclopenta[c]pyran-4-carboxylic acid, 6-(acetyloxy)-5-(benzoyloxy)-1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-","exact_mass":538.169,"inchikey":"IRSUXHBCTWMHAK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.158203,"smiles":"CC1C(OC(C)=O)C(OC(=O)C2=CC=CC=C2)C\\3C1C(O\\C=C3C(O)=O)OC4OC(CO)C(O)C(O)C4O","spectrum_id":"CCMSLIB00000852616","spectrum_index":4036},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380353-01_C15H18O6_Pentaleno[1,6a-c]pyran-9-carboxylic acid, 1,3,4,7,7a,9a-hexahydro-4-hydroxy-4-(hydroxymethyl)-6,7-dimethyl-3-oxo-, (4R,7S,7aR,9aR)-","exact_mass":294.11,"inchikey":"FWDDYLWFBHUEKH-QXGHTHNXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.118195,"smiles":"C[C@H]\\1[C@H]2\\C=C(/[C@@H]3COC(=O)[C@](O)(CO)C23\\C=C1C)C(O)=O","spectrum_id":"CCMSLIB00000852617","spectrum_index":4037},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168800-03_C21H22O11_2,6-Dihydroxy-2-(4-hydroxybenzyl)-3-oxo-2,3-dihydro-1-benzofuran-4-yl beta-D-glucopyranoside","exact_mass":450.116,"inchikey":"KJIWCKSQHHNTTL-CTAUWVKESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.126923,"smiles":"OC[C@H]1O[C@@H](OC2=C3C(=O)C(O)(CC4=CC=C(O)C=C4)OC3=CC(=C2)O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852620","spectrum_index":4038},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168800-03_C21H22O11_2,6-Dihydroxy-2-(4-hydroxybenzyl)-3-oxo-2,3-dihydro-1-benzofuran-4-yl beta-D-glucopyranoside","exact_mass":450.116,"inchikey":"KJIWCKSQHHNTTL-CTAUWVKESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.116516,"smiles":"OC[C@H]1O[C@@H](OC2=C3C(=O)C(O)(CC4=CC=C(O)C=C4)OC3=CC(=C2)O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852622","spectrum_index":4039},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169660-02_C22H30O3_2-Hydroxy-6-[(8Z,11Z)-8,11,14-pentadecatrien-1-yl]benzoic acid","exact_mass":342.219,"inchikey":"QUVGEKPNSCFQIR-UTOQUPLUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.229675,"smiles":"OC(=O)C1=C(CCCCCCC\\C=C/C/C=C\\CC=C)C=CC=C1O","spectrum_id":"CCMSLIB00000852624","spectrum_index":4040},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169660-02_C22H30O3_2-Hydroxy-6-[(8Z,11Z)-8,11,14-pentadecatrien-1-yl]benzoic acid","exact_mass":342.219,"inchikey":"QUVGEKPNSCFQIR-UTOQUPLUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.21167,"smiles":"OC(=O)C1=C(CCCCCCC\\C=C/C/C=C\\CC=C)C=CC=C1O","spectrum_id":"CCMSLIB00000852625","spectrum_index":4041},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00186632-02_C21H22N2O2_Strychnidin-10-one","exact_mass":334.168,"inchikey":"QMGVPVSNSZLJIA-FVWCLLPLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.178162,"smiles":"O=C1C[C@@H]2OC\\C=C/3C[N@@]4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1C7=C6C=CC=C7","spectrum_id":"CCMSLIB00000852627","spectrum_index":4042},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385430-01_C17H30O10_(3Z)-3-Hexen-1-yl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside","exact_mass":394.184,"inchikey":"NVTNXPADRDASMP-BHELATFJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":412.220764,"smiles":"CC\\C=C/CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852630","spectrum_index":4043},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385430-01_C17H30O10_(3Z)-3-Hexen-1-yl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside","exact_mass":394.184,"inchikey":"NVTNXPADRDASMP-BHELATFJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.176208,"smiles":"CC\\C=C/CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852631","spectrum_index":4044},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385440-01_C27H34O9_2-Butenoic acid, 2-(hydroxymethyl)-, (2E)-2-[[[(3aR,4R,6E,9S,10Z,11aS)-9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl]oxy]carbonyl]-2-buten-1-yl ester, (2E)-","exact_mass":502.22,"inchikey":"GBKBPIXSSQJOPJ-XEMLLQTBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.231079,"smiles":"C\\C=C(CO)\\C(=O)OCC(=C/C)\\C(=O)O[C@@H]1C/C(=C/C[C@H](OC(C)=O)\\C(=C/[C@@H]2OC(=O)C(=C)[C@H]12)C)C","spectrum_id":"CCMSLIB00000852633","spectrum_index":4045},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385440-01_C27H34O9_2-Butenoic acid, 2-(hydroxymethyl)-, (2E)-2-[[[(3aR,4R,6E,9S,10Z,11aS)-9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl]oxy]carbonyl]-2-buten-1-yl ester, (2E)-","exact_mass":502.22,"inchikey":"GBKBPIXSSQJOPJ-XEMLLQTBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":520.256836,"smiles":"C\\C=C(CO)\\C(=O)OCC(=C/C)\\C(=O)O[C@@H]1C/C(=C/C[C@H](OC(C)=O)\\C(=C/[C@@H]2OC(=O)C(=C)[C@H]12)C)C","spectrum_id":"CCMSLIB00000852636","spectrum_index":4046},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385440-01_C27H34O9_2-Butenoic acid, 2-(hydroxymethyl)-, (2E)-2-[[[(3aR,4R,6E,9S,10Z,11aS)-9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl]oxy]carbonyl]-2-buten-1-yl ester, (2E)-","exact_mass":502.22,"inchikey":"GBKBPIXSSQJOPJ-XEMLLQTBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":525.212952,"smiles":"C\\C=C(CO)\\C(=O)OCC(=C/C)\\C(=O)O[C@@H]1C/C(=C/C[C@H](OC(C)=O)\\C(=C/[C@@H]2OC(=O)C(=C)[C@H]12)C)C","spectrum_id":"CCMSLIB00000852637","spectrum_index":4047},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385441-01_C16H26O8_beta-D-Glucopyranose, 1-O-[(2E,6E)-8-hydroxy-2,6-dimethyl-1-oxo-2,6-octadien-1-yl]-","exact_mass":346.163,"inchikey":"QZIOPOIUZGGXKI-KOYXEPTDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.172974,"smiles":"CC(/CC/C=C(C)/C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\\CO","spectrum_id":"CCMSLIB00000852639","spectrum_index":4048},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385441-01_C16H26O8_beta-D-Glucopyranose, 1-O-[(2E,6E)-8-hydroxy-2,6-dimethyl-1-oxo-2,6-octadien-1-yl]-","exact_mass":346.163,"inchikey":"QZIOPOIUZGGXKI-KOYXEPTDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.155029,"smiles":"CC(/CC/C=C(C)/C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\\CO","spectrum_id":"CCMSLIB00000852642","spectrum_index":4049},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168796-02_C22H36O7_Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate, (3beta,6beta,14R,16alpha)-","exact_mass":412.246,"inchikey":"NXCYBYJXCJWMRY-VGBBEZPXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.242279,"smiles":"CC(=O)O[C@@H]1[C@H]2CC[C@H]3[C@@](C)(O)[C@@H]4C[C@H](O)C(C)(C)[C@@]4(O)[C@H](O)C[C@@]13C[C@@]2(C)O","spectrum_id":"CCMSLIB00000852643","spectrum_index":4050},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180408-03_C30H38O16_(1aS,1bS,2S,5aR,6S,6aS)-6-({6-Deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":654.216,"inchikey":"XIPQZLUSSJDAIC-UYESFEPRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":655.220093,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](OC(=O)\\C=C\\C6=CC=C(O)C=C6)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852646","spectrum_index":4051},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180408-03_C30H38O16_(1aS,1bS,2S,5aR,6S,6aS)-6-({6-Deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":654.216,"inchikey":"XIPQZLUSSJDAIC-UYESFEPRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":672.246399,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](OC(=O)\\C=C\\C6=CC=C(O)C=C6)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852647","spectrum_index":4052},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180408-03_C30H38O16_(1aS,1bS,2S,5aR,6S,6aS)-6-({6-Deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":654.216,"inchikey":"XIPQZLUSSJDAIC-UYESFEPRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":677.202637,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](OC(=O)\\C=C\\C6=CC=C(O)C=C6)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852649","spectrum_index":4053},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180860-02_C20H34O3_2-Butene-1,4-diol, 2-[2-[(1S,8aR)-1,4,4a,5,6,7,8,8a-octahydro-2-(hydroxymethyl)-5,5,8a-trimethyl-1-naphthalenyl]ethyl]-, (2Z)-","exact_mass":322.251,"inchikey":"QKFYQBBBSKOMPQ-BKOATVBFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.246948,"smiles":"CC1(C)CCC[C@@]2(C)[C@H](CC\\C(CO)=C\\CO)\\C(=C/CC12)CO","spectrum_id":"CCMSLIB00000852652","spectrum_index":4054},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180860-02_C20H34O3_2-Butene-1,4-diol, 2-[2-[(1S,8aR)-1,4,4a,5,6,7,8,8a-octahydro-2-(hydroxymethyl)-5,5,8a-trimethyl-1-naphthalenyl]ethyl]-, (2Z)-","exact_mass":322.251,"inchikey":"QKFYQBBBSKOMPQ-BKOATVBFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.239502,"smiles":"CC1(C)CCC[C@@]2(C)[C@H](CC\\C(CO)=C\\CO)\\C(=C/CC12)CO","spectrum_id":"CCMSLIB00000852653","spectrum_index":4055},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347410-03_C40H62O14_Ergosta-5,24-dien-26-one, 22,26-epoxy-3-[(6-O-hexopyranosylhexopyranosyl)oxy]-1-hydroxy-","exact_mass":766.414,"inchikey":"ZBLWKSUMHLVXAM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":767.416382,"smiles":"CC(C1C\\C(=C(\\C)C(=O)O1)C)C2CCC3C4C\\C=C5\\CC(CC(O)C5(C)C4CCC23C)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000852655","spectrum_index":4056},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347410-03_C40H62O14_Ergosta-5,24-dien-26-one, 22,26-epoxy-3-[(6-O-hexopyranosylhexopyranosyl)oxy]-1-hydroxy-","exact_mass":766.414,"inchikey":"ZBLWKSUMHLVXAM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":784.441772,"smiles":"CC(C1C\\C(=C(\\C)C(=O)O1)C)C2CCC3C4C\\C=C5\\CC(CC(O)C5(C)C4CCC23C)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000852657","spectrum_index":4057},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347410-03_C40H62O14_Ergosta-5,24-dien-26-one, 22,26-epoxy-3-[(6-O-hexopyranosylhexopyranosyl)oxy]-1-hydroxy-","exact_mass":766.414,"inchikey":"ZBLWKSUMHLVXAM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":789.397827,"smiles":"CC(C1C\\C(=C(\\C)C(=O)O1)C)C2CCC3C4C\\C=C5\\CC(CC(O)C5(C)C4CCC23C)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000852659","spectrum_index":4058},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347708-02_C38H62O12_beta-D-Galactopyranoside, (3beta,8xi,9xi,14xi,16xi,17xi,20xi,22xi)-spirostan-3-yl 6-O-beta-D-xylopyranosyl-","exact_mass":710.424,"inchikey":"OSHZDTNWJYPSSP-WKGGGXJXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":711.427795,"smiles":"CC1CCC2(OC1)OC3CC4C5CCC6C[C@H](CC[C@]6(C)C5CC[C@]4(C)C3C2C)O[C@@H]7O[C@H](CO[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000852661","spectrum_index":4059},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347708-02_C38H62O12_beta-D-Galactopyranoside, (3beta,8xi,9xi,14xi,16xi,17xi,20xi,22xi)-spirostan-3-yl 6-O-beta-D-xylopyranosyl-","exact_mass":710.424,"inchikey":"OSHZDTNWJYPSSP-WKGGGXJXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":728.454346,"smiles":"CC1CCC2(OC1)OC3CC4C5CCC6C[C@H](CC[C@]6(C)C5CC[C@]4(C)C3C2C)O[C@@H]7O[C@H](CO[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000852664","spectrum_index":4060},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347708-02_C38H62O12_beta-D-Galactopyranoside, (3beta,8xi,9xi,14xi,16xi,17xi,20xi,22xi)-spirostan-3-yl 6-O-beta-D-xylopyranosyl-","exact_mass":710.424,"inchikey":"OSHZDTNWJYPSSP-WKGGGXJXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":733.409607,"smiles":"CC1CCC2(OC1)OC3CC4C5CCC6C[C@H](CC[C@]6(C)C5CC[C@]4(C)C3C2C)O[C@@H]7O[C@H](CO[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000852666","spectrum_index":4061},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385054-01_C31H38O7_4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 4a,8-bis(acetyloxy)-7-(benzoyloxy)-1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-1,1,3,6-tetramethyl-9-methylene-, (1aR,2E,4aR,6S,7S,7aR,8R,11aS)-","exact_mass":522.262,"inchikey":"JPYYWXPAHJBKJX-VWSFRBHVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.267395,"smiles":"C[C@H]1C[C@@]2(OC(C)=O)[C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@@H](OC(C)=O)C(=C)CC[C@H]4[C@@H](\\C=C(C)\\C2=O)C4(C)C","spectrum_id":"CCMSLIB00000852668","spectrum_index":4062},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385054-01_C31H38O7_4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 4a,8-bis(acetyloxy)-7-(benzoyloxy)-1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-1,1,3,6-tetramethyl-9-methylene-, (1aR,2E,4aR,6S,7S,7aR,8R,11aS)-","exact_mass":522.262,"inchikey":"JPYYWXPAHJBKJX-VWSFRBHVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.249329,"smiles":"C[C@H]1C[C@@]2(OC(C)=O)[C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@@H](OC(C)=O)C(=C)CC[C@H]4[C@@H](\\C=C(C)\\C2=O)C4(C)C","spectrum_id":"CCMSLIB00000852670","spectrum_index":4063},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385055-01_C26H36O7_4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 4a,7,8-tris(acetyloxy)-1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-1,1,3,6-tetramethyl-9-methylene-, (1aR,2E,4aR,6S,7S,7aR,8R,11aS)-","exact_mass":460.246,"inchikey":"WFMPZQDIRPRCNA-PNWNLVJFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.252411,"smiles":"C[C@H]1C[C@@]2(OC(C)=O)[C@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)C(=C)CC[C@H]3[C@@H](/C=C(C)/C2=O)C3(C)C","spectrum_id":"CCMSLIB00000852672","spectrum_index":4064},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385055-01_C26H36O7_4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 4a,7,8-tris(acetyloxy)-1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-1,1,3,6-tetramethyl-9-methylene-, (1aR,2E,4aR,6S,7S,7aR,8R,11aS)-","exact_mass":460.246,"inchikey":"WFMPZQDIRPRCNA-PNWNLVJFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":483.234253,"smiles":"C[C@H]1C[C@@]2(OC(C)=O)[C@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)C(=C)CC[C@H]3[C@@H](/C=C(C)/C2=O)C3(C)C","spectrum_id":"CCMSLIB00000852673","spectrum_index":4065},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385055-01_C26H36O7_4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 4a,7,8-tris(acetyloxy)-1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-1,1,3,6-tetramethyl-9-methylene-, (1aR,2E,4aR,6S,7S,7aR,8R,11aS)-","exact_mass":460.246,"inchikey":"WFMPZQDIRPRCNA-PNWNLVJFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.206238,"smiles":"C[C@H]1C[C@@]2(OC(C)=O)[C@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)C(=C)CC[C@H]3[C@@H](/C=C(C)/C2=O)C3(C)C","spectrum_id":"CCMSLIB00000852676","spectrum_index":4066},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385056-01_C23H32O8_Propanoic acid, 2-methyl-, [(4S)-4-(acetyloxy)-5-[4-(acetyloxy)-1-methylbutyl]-2,3,3a,4,7,7a-hexahydro-3-methylene-2-oxo-6-benzofuranyl]methyl ester","exact_mass":436.21,"inchikey":"AAHSTEUFCXJGIV-DUBKMGCZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.215973,"smiles":"CC(C)C(=O)OCC/1=C(C(C)CCCOC(C)=O)/[C@@H](OC(C)=O)C2C(C1)OC(=O)C2=C","spectrum_id":"CCMSLIB00000852677","spectrum_index":4067},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385056-01_C23H32O8_Propanoic acid, 2-methyl-, [(4S)-4-(acetyloxy)-5-[4-(acetyloxy)-1-methylbutyl]-2,3,3a,4,7,7a-hexahydro-3-methylene-2-oxo-6-benzofuranyl]methyl ester","exact_mass":436.21,"inchikey":"AAHSTEUFCXJGIV-DUBKMGCZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":454.242401,"smiles":"CC(C)C(=O)OCC/1=C(C(C)CCCOC(C)=O)/[C@@H](OC(C)=O)C2C(C1)OC(=O)C2=C","spectrum_id":"CCMSLIB00000852679","spectrum_index":4068},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385056-01_C23H32O8_Propanoic acid, 2-methyl-, [(4S)-4-(acetyloxy)-5-[4-(acetyloxy)-1-methylbutyl]-2,3,3a,4,7,7a-hexahydro-3-methylene-2-oxo-6-benzofuranyl]methyl ester","exact_mass":436.21,"inchikey":"AAHSTEUFCXJGIV-DUBKMGCZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":459.197845,"smiles":"CC(C)C(=O)OCC/1=C(C(C)CCCOC(C)=O)/[C@@H](OC(C)=O)C2C(C1)OC(=O)C2=C","spectrum_id":"CCMSLIB00000852681","spectrum_index":4069},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385056-01_C23H32O8_Propanoic acid, 2-methyl-, [(4S)-4-(acetyloxy)-5-[4-(acetyloxy)-1-methylbutyl]-2,3,3a,4,7,7a-hexahydro-3-methylene-2-oxo-6-benzofuranyl]methyl ester","exact_mass":436.21,"inchikey":"AAHSTEUFCXJGIV-DUBKMGCZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":478.242889,"smiles":"CC(C)C(=O)OCC/1=C(C(C)CCCOC(C)=O)/[C@@H](OC(C)=O)C2C(C1)OC(=O)C2=C","spectrum_id":"CCMSLIB00000852684","spectrum_index":4070},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169088-03_C17H14N2O4_Spiro[3H-1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione, 3'-(3-hydroxyphenyl)-4-methyl-, (3S,3'R)-","exact_mass":310.095,"inchikey":"BDDNYDPRCCDQQJ-PBHICJAKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.105499,"smiles":"CN1C(=O)C2=C(NC(=O)[C@]13O[C@@H]3C4=CC(=CC=C4)O)C=CC=C2","spectrum_id":"CCMSLIB00000852686","spectrum_index":4071},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169192-02_C17H14N2O3_(3S,3'R)-4-Methyl-3'-phenylspiro[1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione","exact_mass":294.1,"inchikey":"APLKWZASYUZSBL-PBHICJAKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.11026,"smiles":"CN1C(=O)C2=C(NC(=O)[C@]13O[C@@H]3C4=CC=CC=C4)C=CC=C2","spectrum_id":"CCMSLIB00000852687","spectrum_index":4072},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381316-01_C24H32O5_2-Propenoic acid, 3-phenyl-, 10-hydroxy-1,6-dimethyl-9-(1-methylethyl)-5,12-dioxatricyclo[9.1.0.0~4,6~]dodec-8-yl ester, (2E)-","exact_mass":400.225,"inchikey":"QFWCWMZSCXWBAK-ZHACJKMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.235992,"smiles":"CC(C)C1C(O)C2OC2(C)CCC3OC3(C)CC1OC(=O)\\C=C\\C4=CC=CC=C4","spectrum_id":"CCMSLIB00000852689","spectrum_index":4073},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381316-01_C24H32O5_2-Propenoic acid, 3-phenyl-, 10-hydroxy-1,6-dimethyl-9-(1-methylethyl)-5,12-dioxatricyclo[9.1.0.0~4,6~]dodec-8-yl ester, (2E)-","exact_mass":400.225,"inchikey":"QFWCWMZSCXWBAK-ZHACJKMWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.224945,"smiles":"CC(C)C1C(O)C2OC2(C)CCC3OC3(C)CC1OC(=O)\\C=C\\C4=CC=CC=C4","spectrum_id":"CCMSLIB00000852691","spectrum_index":4074},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381319-01_C20H24O4_(3E,12E)-3,12-Dimethyl-8-methylene-6,18-dioxatricyclo[14.2.1.0~5,9~]nonadeca-3,12,16(19)-triene-7,17-dione","exact_mass":328.167,"inchikey":"KTYZKXFERQUCPX-SPUCVAIDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.177612,"smiles":"CC\\1=C/CC\\C2=C\\C(C\\C(=C\\C3OC(=O)C(=C)C3CC1)C)OC2=O","spectrum_id":"CCMSLIB00000852693","spectrum_index":4075},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381319-01_C20H24O4_(3E,12E)-3,12-Dimethyl-8-methylene-6,18-dioxatricyclo[14.2.1.0~5,9~]nonadeca-3,12,16(19)-triene-7,17-dione","exact_mass":328.167,"inchikey":"KTYZKXFERQUCPX-SPUCVAIDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.204315,"smiles":"CC\\1=C/CC\\C2=C\\C(C\\C(=C\\C3OC(=O)C(=C)C3CC1)C)OC2=O","spectrum_id":"CCMSLIB00000852695","spectrum_index":4076},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380969-01_C11H7ClN2O_3-(4-Chloro-1,3-oxazol-5-yl)-1H-indole","exact_mass":218.025,"inchikey":"BKYJGKRXUHPPLR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":219.029984,"smiles":"[Cl]C1=C(OC=N1)C2=C[NH]C3=C2C=CC=C3","spectrum_id":"CCMSLIB00000852697","spectrum_index":4077},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380971-01_C17H28O3_(1R,2R,4aS,8aS)-2-[(2R)-2-Hydroxybutyl]-1,3-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid","exact_mass":280.204,"inchikey":"HIVVBTLNCFFLPO-LVNYTYFRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.1987,"smiles":"CC[C@@H](O)C[C@@H]1\\C(=C/[C@@H]2CCCC[C@@H]2[C@@]1(C)C(O)=O)C","spectrum_id":"CCMSLIB00000852700","spectrum_index":4078},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380972-01_C32H45N3O2_","exact_mass":503.351,"inchikey":"IXMZEPKYPFQFJN-QNFIBVQNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":504.355743,"smiles":"CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@]34C[C@@H]5[C@@]6(C)CCCC(C)(C)C6CC[C@@]5(C)N([C@H]3N2C1=O)C7=CC=CC=C47","spectrum_id":"CCMSLIB00000852701","spectrum_index":4079},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380973-01_C21H30O6_","exact_mass":378.204,"inchikey":"BKISVXZMCJBOKR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.208984,"smiles":"CCC1CC2\\C(=C/C3CCCCC3C2(C)C4(O1)OC(=O)C(C)(O)OC4=O)C","spectrum_id":"CCMSLIB00000852703","spectrum_index":4080},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380973-01_C21H30O6_","exact_mass":378.204,"inchikey":"BKISVXZMCJBOKR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":396.235474,"smiles":"CCC1CC2\\C(=C/C3CCCCC3C2(C)C4(O1)OC(=O)C(C)(O)OC4=O)C","spectrum_id":"CCMSLIB00000852705","spectrum_index":4081},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380975-01_C24H26O10_","exact_mass":474.153,"inchikey":"XKQFWJXMPAGPGP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.15683,"smiles":"COC(=O)C1=C(C(=O)C2=C(O)C3=C(OC4(C)OC3CCC4O)C=C2OC)C(=CC(=C1)OC)OC","spectrum_id":"CCMSLIB00000852707","spectrum_index":4082},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380975-01_C24H26O10_","exact_mass":474.153,"inchikey":"XKQFWJXMPAGPGP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":497.138947,"smiles":"COC(=O)C1=C(C(=O)C2=C(O)C3=C(OC4(C)OC3CCC4O)C=C2OC)C(=CC(=C1)OC)OC","spectrum_id":"CCMSLIB00000852709","spectrum_index":4083},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380976-01_C28H42N2O7_(4E,10E)-13,20-Dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate","exact_mass":518.299,"inchikey":"HUXWGTSMSXMDBH-CWNVEXOKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.301819,"smiles":"COC1CC\\C=C(/C)C(=O)NC2=CC(=CC(=C2)O)CC(C)CC(OC)C(O)C(C)\\C=C(C)\\C1OC(N)=O","spectrum_id":"CCMSLIB00000852712","spectrum_index":4084},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380976-01_C28H42N2O7_(4E,10E)-13,20-Dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate","exact_mass":518.299,"inchikey":"HUXWGTSMSXMDBH-CWNVEXOKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.330017,"smiles":"COC1CC\\C=C(/C)C(=O)NC2=CC(=CC(=C2)O)CC(C)CC(OC)C(O)C(C)\\C=C(C)\\C1OC(N)=O","spectrum_id":"CCMSLIB00000852714","spectrum_index":4085},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380979-01_C15H22O9_beta-D-Glucopyranoside, (4-hydroxy-3,5-dimethoxyphenyl)methyl","exact_mass":346.126,"inchikey":"VZSGMNVXQXYFPI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.113159,"smiles":"COC1=C(O)C(=CC(=C1)COC2OC(CO)C(O)C(O)C2O)OC","spectrum_id":"CCMSLIB00000852716","spectrum_index":4086},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380981-01_C28H40O5_","exact_mass":456.288,"inchikey":"ASOIHOGDYISNRH-GPTGPEQGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.292633,"smiles":"CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@]4(C)O\\C5=C(/C[C@@H]34)C(=O)\\C=C(C)/O5)C1(C)C","spectrum_id":"CCMSLIB00000852717","spectrum_index":4087},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380981-01_C28H40O5_","exact_mass":456.288,"inchikey":"ASOIHOGDYISNRH-GPTGPEQGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.273834,"smiles":"CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@]4(C)O\\C5=C(/C[C@@H]34)C(=O)\\C=C(C)/O5)C1(C)C","spectrum_id":"CCMSLIB00000852719","spectrum_index":4088},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381118-01_C20H31NO6_Glutamic acid, 1-[5'-hydroxy-2,6'-dimethyl-5-(1-methylethenyl)spiro[cyclopentane-1,3'-[7]oxabicyclo[4.1.0]heptan]-2'-yl] ester","exact_mass":381.215,"inchikey":"RMFZYEBIQCUWPE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":382.22168,"smiles":"CC1CCC(C(C)=C)C12CC(O)C3(C)OC3C2OC(=O)C(N)CCC(O)=O","spectrum_id":"CCMSLIB00000852722","spectrum_index":4089},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381119-01_C13H22O6_2-Furanacetic acid, tetrahydro-alpha-methyl-5-(2-oxopropyl)-, 2,3-dihydroxypropyl ester","exact_mass":274.142,"inchikey":"MPUKHERSKPLKHP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":257.137695,"smiles":"CC(C1CCC(CC(C)=O)O1)C(=O)OCC(O)CO","spectrum_id":"CCMSLIB00000852724","spectrum_index":4090},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381119-01_C13H22O6_2-Furanacetic acid, tetrahydro-alpha-methyl-5-(2-oxopropyl)-, 2,3-dihydroxypropyl ester","exact_mass":274.142,"inchikey":"MPUKHERSKPLKHP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":292.174713,"smiles":"CC(C1CCC(CC(C)=O)O1)C(=O)OCC(O)CO","spectrum_id":"CCMSLIB00000852725","spectrum_index":4091},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381119-01_C13H22O6_2-Furanacetic acid, tetrahydro-alpha-methyl-5-(2-oxopropyl)-, 2,3-dihydroxypropyl ester","exact_mass":274.142,"inchikey":"MPUKHERSKPLKHP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.129883,"smiles":"CC(C1CCC(CC(C)=O)O1)C(=O)OCC(O)CO","spectrum_id":"CCMSLIB00000852727","spectrum_index":4092},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381123-01_C25H35NO5_Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-6(3H)-one, 3',4',4'a,5',6',7,7',8,8',8'a-decahydro-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-, (2R,2'R,6'R,8a'S)-","exact_mass":429.252,"inchikey":"ZHECNBLIOXZXBL-TVDJWTRXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":430.257416,"smiles":"C[C@@H]1CCC2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]13CC4=C(O3)C5=C(C=C4O)C(=O)N(CCO)C5","spectrum_id":"CCMSLIB00000852729","spectrum_index":4093},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381125-01_C48H78O19_beta-D-Glucopyranose, O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-1-O-[(2alpha,3beta,5xi,9xi,13xi,18xi,19xi)-2,3,23-trihydroxy-28-oxours-20-en-28-yl]-","exact_mass":958.514,"inchikey":"ATNAJMVRCNQHAG-AAXSTCLUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":981.495056,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CC[C@]6(C)C(CCC7[C@@]8(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C8CC[C@@]67C)C4C(C)\\C(=C/C5)C)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852732","spectrum_index":4094},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381128-01_C18H26O10_4-(beta-D-Glucopyranosyloxy)benzyl 2,3-dihydroxy-3-methylbutanoate","exact_mass":402.153,"inchikey":"CHRIGVPNNGMWMG-IMBWSVPGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":420.185333,"smiles":"CC(C)(O)C(O)C(=O)OCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000852733","spectrum_index":4095},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381128-01_C18H26O10_4-(beta-D-Glucopyranosyloxy)benzyl 2,3-dihydroxy-3-methylbutanoate","exact_mass":402.153,"inchikey":"CHRIGVPNNGMWMG-IMBWSVPGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.14032,"smiles":"CC(C)(O)C(O)C(=O)OCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000852735","spectrum_index":4096},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381131-01_C27H41NO6_(7E)-11-Hydroxy-3-isobutyl-4,5,8,13,13-pentamethyl-3,3a,4,6a,9,10,11,11a,14a,15-decahydro-1H-[1,3]dioxolo[9,10]oxacyclododecino[2,3-d]isoindole-1,16(2H)-dione","exact_mass":475.293,"inchikey":"CNYIRYYCTKRCHF-RVDMUPIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":476.298676,"smiles":"CC(C)CC1NC(=O)C23OC(=O)CC4OC(C)(C)OC4C(O)CC\\C(=C\\C2\\C=C(C)/C(C)C13)C","spectrum_id":"CCMSLIB00000852737","spectrum_index":4097},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381131-01_C27H41NO6_(7E)-11-Hydroxy-3-isobutyl-4,5,8,13,13-pentamethyl-3,3a,4,6a,9,10,11,11a,14a,15-decahydro-1H-[1,3]dioxolo[9,10]oxacyclododecino[2,3-d]isoindole-1,16(2H)-dione","exact_mass":475.293,"inchikey":"CNYIRYYCTKRCHF-RVDMUPIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":498.28064,"smiles":"CC(C)CC1NC(=O)C23OC(=O)CC4OC(C)(C)OC4C(O)CC\\C(=C\\C2\\C=C(C)/C(C)C13)C","spectrum_id":"CCMSLIB00000852739","spectrum_index":4098},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385478-01_C21H18N2O5_1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-10-methoxy-, (4S)-","exact_mass":378.122,"inchikey":"XVMZDZFTCKLZTF-NRFANRHFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.131714,"smiles":"CC[C@@]1(O)C(=O)OCC/2=C1/C=C/3N(CC4=CC5=C(OC)C=CC=C5N=C34)C2=O","spectrum_id":"CCMSLIB00000852741","spectrum_index":4099},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385479-01_C21H32O9_","exact_mass":428.205,"inchikey":"PNUZTGLWURTQTO-OPSPQWEKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.214966,"smiles":"C[C@@H]1[C@@H]2[C@@H](O)C[C@@](C)(C=C)C([C@H]2OC1=O)\\C(C)=C\\O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000852743","spectrum_index":4100},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385479-01_C21H32O9_","exact_mass":428.205,"inchikey":"PNUZTGLWURTQTO-OPSPQWEKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.196838,"smiles":"C[C@@H]1[C@@H]2[C@@H](O)C[C@@](C)(C=C)C([C@H]2OC1=O)\\C(C)=C\\O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000852745","spectrum_index":4101},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385480-01_C28H32O8_","exact_mass":496.21,"inchikey":"ATAIRWBABKGUFL-HVHNYWLFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":497.220184,"smiles":"C\\C=C\\C=C\\C1=C/2C3C4(C)OC5(O)C6(C)OC4(O)C(C)(C6\\C(=C(O1)/C35C)C(=O)CC(O)\\C=C\\C)C2=O","spectrum_id":"CCMSLIB00000852748","spectrum_index":4102},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385480-01_C28H32O8_","exact_mass":496.21,"inchikey":"ATAIRWBABKGUFL-HVHNYWLFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.210327,"smiles":"C\\C=C\\C=C\\C1=C/2C3C4(C)OC5(O)C6(C)OC4(O)C(C)(C6\\C(=C(O1)/C35C)C(=O)CC(O)\\C=C\\C)C2=O","spectrum_id":"CCMSLIB00000852749","spectrum_index":4103},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385480-01_C28H32O8_","exact_mass":496.21,"inchikey":"ATAIRWBABKGUFL-HVHNYWLFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.201782,"smiles":"C\\C=C\\C=C\\C1=C/2C3C4(C)OC5(O)C6(C)OC4(O)C(C)(C6\\C(=C(O1)/C35C)C(=O)CC(O)\\C=C\\C)C2=O","spectrum_id":"CCMSLIB00000852751","spectrum_index":4104},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385481-01_C20H32O6_(2E)-2-(1,2-Dihydroxyethyl)-4-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]-2-butenoic acid","exact_mass":368.22,"inchikey":"CBJRVSWMDLZAQD-SSRKZONRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.219299,"smiles":"C[C@@]1(CO)C(O)CC[C@@]2(C)[C@H](C\\C=C(C(O)CO)\\C(O)=O)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00000852753","spectrum_index":4105},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385483-01_C15H22O3_","exact_mass":250.157,"inchikey":"HVBQZYOWNDKXFI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.155243,"smiles":"CC1CCC2\\C(=C/C3(O)CC(C)(C)CC123)C(O)=O","spectrum_id":"CCMSLIB00000852755","spectrum_index":4106},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385485-01_C27H28N4O2_(3S,6S)-3-(1H-Indol-3-ylmethyl)-6-{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-2,5-piperazinedione","exact_mass":440.221,"inchikey":"PFYKDKMYQRWRGF-GOTSBHOMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.231293,"smiles":"CC(C)(C=C)C1=C(C[C@@H]2NC(=O)[C@H](CC3=C[NH]C4=C3C=CC=C4)NC2=O)C5=CC=CC=C5[NH]1","spectrum_id":"CCMSLIB00000852758","spectrum_index":4107},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385486-01_C25H34O5_2-Butenoic acid, 2-methyl-, (2R,3R,5R)-2,6,6,9-tetramethyl-11-oxotricyclo[5.4.0.0~2,8~]undec-9-ene-3,5-diyl ester, (2Z,2'Z)-","exact_mass":414.241,"inchikey":"GXMVUJPIUWLNDG-MJJXSLNDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.250763,"smiles":"C\\C=C(C)/C(=O)O[C@@H]1C[C@@H](OC(=O)\\C(C)=C/C)[C@]2(C)C\\3C(C2C(=O)\\C=C3C)C1(C)C","spectrum_id":"CCMSLIB00000852759","spectrum_index":4108},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385486-01_C25H34O5_2-Butenoic acid, 2-methyl-, (2R,3R,5R)-2,6,6,9-tetramethyl-11-oxotricyclo[5.4.0.0~2,8~]undec-9-ene-3,5-diyl ester, (2Z,2'Z)-","exact_mass":414.241,"inchikey":"GXMVUJPIUWLNDG-MJJXSLNDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.233002,"smiles":"C\\C=C(C)/C(=O)O[C@@H]1C[C@@H](OC(=O)\\C(C)=C/C)[C@]2(C)C\\3C(C2C(=O)\\C=C3C)C1(C)C","spectrum_id":"CCMSLIB00000852762","spectrum_index":4109},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385487-01_C15H21NO5_","exact_mass":295.142,"inchikey":"FWZSWYCCQVYQJG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":296.151581,"smiles":"COC1=C2CNC(=O)C2=CC(=C1C)OCC(O)C(C)(C)O","spectrum_id":"CCMSLIB00000852764","spectrum_index":4110},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385487-01_C15H21NO5_","exact_mass":295.142,"inchikey":"FWZSWYCCQVYQJG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":278.140717,"smiles":"COC1=C2CNC(=O)C2=CC(=C1C)OCC(O)C(C)(C)O","spectrum_id":"CCMSLIB00000852765","spectrum_index":4111},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169398-02_C42H54O22_2H-Pyran-4-acetic acid, 3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, 2-[4-[[2-[(2S,3E,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetyl]oxy]phenyl]ethyl ester, (2S,3E,4S)-","exact_mass":910.311,"inchikey":"ALDOLERJIYTYDY-CLEQCBGDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":933.295898,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\\C(=C\\C)[C@@H]1CC(=O)OCCC3=CC=C(OC(=O)C[C@H]\\4\\C(=C/C)[C@@H](O\\C=C4C(=O)OC)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C3","spectrum_id":"CCMSLIB00000852768","spectrum_index":4112},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385971-01_C42H66O14_1-O-[(3beta,5xi,9xi)-3-(beta-D-Galactopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":794.445,"inchikey":"YOSRLTNUOCHBEA-WUPWAJKESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":817.434753,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000852769","spectrum_index":4113},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385973-01_C47H74O17_Olean-12-en-25-al, 3-[[O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranuronosyl]oxy]-22-hydroxy-, (3beta,5xi,9xi,18xi,22beta)-","exact_mass":910.493,"inchikey":"GGYFTLUVQMVCMN-LMQYYACCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":928.525146,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C=O)C(CC[C@]6(C)C5C\\C=C/7C8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@@]67C)C4(C)C)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852772","spectrum_index":4114},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385973-01_C47H74O17_Olean-12-en-25-al, 3-[[O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranuronosyl]oxy]-22-hydroxy-, (3beta,5xi,9xi,18xi,22beta)-","exact_mass":910.493,"inchikey":"GGYFTLUVQMVCMN-LMQYYACCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":933.480286,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C=O)C(CC[C@]6(C)C5C\\C=C/7C8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@@]67C)C4(C)C)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852773","spectrum_index":4115},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385974-01_C20H34O4_1-Naphthalenecarboxylic acid, decahydro-6-hydroxy-5-[(3Z)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a,6-trimethyl-, (1S,4aS,5R,6R)-","exact_mass":338.246,"inchikey":"GFYNKSLVMQVEBT-BAUVLOOGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.244507,"smiles":"CC(/CC[C@H]1[C@](C)(O)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O)=C/CO","spectrum_id":"CCMSLIB00000852775","spectrum_index":4116},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385979-01_C36H58O11_(1S,2S,8xi,9beta,16alpha,17xi)-2,16,20,22-Tetrahydroxy-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholesta-5,24-dien-1-yl beta-D-glucopyranoside","exact_mass":666.398,"inchikey":"UKJMISFXPQGTPF-KHKRMJPISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":689.388184,"smiles":"CC(C)=CCC(O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3C/C=C/4C(C[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000852777","spectrum_index":4117},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385743-01_C67H108O33_beta-D-Xylopyranose, O-beta-D-xylopyranosyl-(1->3)-O-alpha-L-arabinopyranosyl-(1->4)-O-6-deoxy-3-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-alpha-L-mannopyranosyl-(1->2)-1-O-[(3beta,5xi,9xi,16alpha)-3-[(6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy]-16-hydroxy-28-oxoolean-12-en-28-yl]-","exact_mass":1440.68,"inchikey":"USYFGIHTVDRWHW-LIDOZGFGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1441.678101,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2OC(=O)[C@]34CCC(C)(C)C[C@H]3C/5=C/CC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@H](CO[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)C[C@H]4O)[C@H](O)[C@H](O[C@@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]1O[C@@H]%11OC[C@H](O)[C@H](O[C@@H]%12OC[C@@H](O)[C@H](O)[C@H]%12O)[C@H]%11O","spectrum_id":"CCMSLIB00000852780","spectrum_index":4118},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385746-01_C59H96O25_beta-D-Glucopyranose, 4-O-(6-deoxy-alpha-L-mannopyranosyl)-1-O-[(3beta,5xi,9xi)-3-[[O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy]-28-oxoolean-12-en-28-yl]-","exact_mass":1204.62,"inchikey":"QMTVSBYGSSFPPX-TZKWFAPYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1205.630005,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)OC(=O)[C@]34CCC(C)(C)C[C@H]3C/5=C/CC6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)CC4)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852782","spectrum_index":4119},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385746-01_C59H96O25_beta-D-Glucopyranose, 4-O-(6-deoxy-alpha-L-mannopyranosyl)-1-O-[(3beta,5xi,9xi)-3-[[O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy]-28-oxoolean-12-en-28-yl]-","exact_mass":1204.62,"inchikey":"QMTVSBYGSSFPPX-TZKWFAPYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1227.612793,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)OC(=O)[C@]34CCC(C)(C)C[C@H]3C/5=C/CC6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)CC4)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852783","spectrum_index":4120},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385755-01_C39H62O15_(3beta,5alpha,15alpha,22xi,23S,25R)-15,23-Dihydroxy-26-oxospirostan-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":770.409,"inchikey":"BVALVRBXQYLPOW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":753.410461,"smiles":"CC1CC(O)C2(OC3C(O)C4C5CCC6CC(CCC6(C)C5CCC4(C)C3C2C)OC7OC(CO)C(O)C(O)C7OC8OC(C)C(O)C(O)C8O)OC1=O","spectrum_id":"CCMSLIB00000852786","spectrum_index":4121},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385755-01_C39H62O15_(3beta,5alpha,15alpha,22xi,23S,25R)-15,23-Dihydroxy-26-oxospirostan-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":770.409,"inchikey":"BVALVRBXQYLPOW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":793.402344,"smiles":"CC1CC(O)C2(OC3C(O)C4C5CCC6CC(CCC6(C)C5CCC4(C)C3C2C)OC7OC(CO)C(O)C(O)C7OC8OC(C)C(O)C(O)C8O)OC1=O","spectrum_id":"CCMSLIB00000852787","spectrum_index":4122},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385757-01_C35H46O11_3aH-Cyclopentacyclododecene-1,3a,4,9,10,11-hexol, 1,2,3,4,5,8,9,10,11,13a-decahydro-2,5,8,8,12-pentamethyl-, 3a,4,9,10-tetraacetate 1-benzoate, (6E,12Z)-","exact_mass":642.304,"inchikey":"JUTSMXHGEKYOLZ-GDBZGQKOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":643.316711,"smiles":"CC1CC2(OC(C)=O)C(OC(C)=O)C(C)\\C=C\\C(C)(C)C(OC(C)=O)C(OC(C)=O)C(O)\\C(=C/C2C1OC(=O)C3=CC=CC=C3)C","spectrum_id":"CCMSLIB00000852789","spectrum_index":4123},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385757-01_C35H46O11_3aH-Cyclopentacyclododecene-1,3a,4,9,10,11-hexol, 1,2,3,4,5,8,9,10,11,13a-decahydro-2,5,8,8,12-pentamethyl-, 3a,4,9,10-tetraacetate 1-benzoate, (6E,12Z)-","exact_mass":642.304,"inchikey":"JUTSMXHGEKYOLZ-GDBZGQKOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":660.343201,"smiles":"CC1CC2(OC(C)=O)C(OC(C)=O)C(C)\\C=C\\C(C)(C)C(OC(C)=O)C(OC(C)=O)C(O)\\C(=C/C2C1OC(=O)C3=CC=CC=C3)C","spectrum_id":"CCMSLIB00000852791","spectrum_index":4124},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385757-01_C35H46O11_3aH-Cyclopentacyclododecene-1,3a,4,9,10,11-hexol, 1,2,3,4,5,8,9,10,11,13a-decahydro-2,5,8,8,12-pentamethyl-, 3a,4,9,10-tetraacetate 1-benzoate, (6E,12Z)-","exact_mass":642.304,"inchikey":"JUTSMXHGEKYOLZ-GDBZGQKOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":665.299255,"smiles":"CC1CC2(OC(C)=O)C(OC(C)=O)C(C)\\C=C\\C(C)(C)C(OC(C)=O)C(OC(C)=O)C(O)\\C(=C/C2C1OC(=O)C3=CC=CC=C3)C","spectrum_id":"CCMSLIB00000852794","spectrum_index":4125},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00091905-05_C14H14O3_(6R)-4-Methoxy-6-[(E)-2-phenylvinyl]-5,6-dihydro-2H-pyran-2-one","exact_mass":230.094,"inchikey":"XEAQIWGXBXCYFX-GUOLPTJISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.103058,"smiles":"CO/C1=C/C(=O)O[C@H](C1)\\C=C\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00000852795","spectrum_index":4126},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00091905-05_C14H14O3_(6R)-4-Methoxy-6-[(E)-2-phenylvinyl]-5,6-dihydro-2H-pyran-2-one","exact_mass":230.094,"inchikey":"XEAQIWGXBXCYFX-GUOLPTJISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":213.092453,"smiles":"CO/C1=C/C(=O)O[C@H](C1)\\C=C\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00000852798","spectrum_index":4127},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00091905-05_C14H14O3_(6R)-4-Methoxy-6-[(E)-2-phenylvinyl]-5,6-dihydro-2H-pyran-2-one","exact_mass":230.094,"inchikey":"XEAQIWGXBXCYFX-GUOLPTJISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.085327,"smiles":"CO/C1=C/C(=O)O[C@H](C1)\\C=C\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00000852799","spectrum_index":4128},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381364-02_C10H16N2O2_Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-","exact_mass":196.121,"inchikey":"XLUAWXQORJEMBD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":197.129608,"smiles":"CC(C)C1NC(=O)C2CCCN2C1=O","spectrum_id":"CCMSLIB00000852801","spectrum_index":4129},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381364-02_C10H16N2O2_Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-","exact_mass":196.121,"inchikey":"XLUAWXQORJEMBD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":219.112259,"smiles":"CC(C)C1NC(=O)C2CCCN2C1=O","spectrum_id":"CCMSLIB00000852803","spectrum_index":4130},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385953-01_C15H20O3_(9E)-3,6,10-Trimethyl-7,8,11,11a-tetrahydrocyclodeca[b]furan-2,5(4H,6H)-dione","exact_mass":248.141,"inchikey":"VILHAYBRKKWZBQ-WEVVVXLNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.150238,"smiles":"CC1CC/C=C(C)/CC\\2OC(=O)\\C(=C2CC1=O)C","spectrum_id":"CCMSLIB00000852805","spectrum_index":4131},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385953-01_C15H20O3_(9E)-3,6,10-Trimethyl-7,8,11,11a-tetrahydrocyclodeca[b]furan-2,5(4H,6H)-dione","exact_mass":248.141,"inchikey":"VILHAYBRKKWZBQ-WEVVVXLNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.139481,"smiles":"CC1CC/C=C(C)/CC\\2OC(=O)\\C(=C2CC1=O)C","spectrum_id":"CCMSLIB00000852808","spectrum_index":4132},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385953-01_C15H20O3_(9E)-3,6,10-Trimethyl-7,8,11,11a-tetrahydrocyclodeca[b]furan-2,5(4H,6H)-dione","exact_mass":248.141,"inchikey":"VILHAYBRKKWZBQ-WEVVVXLNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.132843,"smiles":"CC1CC/C=C(C)/CC\\2OC(=O)\\C(=C2CC1=O)C","spectrum_id":"CCMSLIB00000852810","spectrum_index":4133},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385955-01_C21H26O4_4-Allyl-1-{[1-(3,4-dimethoxyphenyl)-2-propanyl]oxy}-2-methoxybenzene","exact_mass":342.183,"inchikey":"HIENDSLJNWIKCF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.175171,"smiles":"COC1=C(OC)C=C(CC(C)OC2=C(OC)C=C(CC=C)C=C2)C=C1","spectrum_id":"CCMSLIB00000852812","spectrum_index":4134},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385957-01_C11H13NO3_(2E)-3-(3,4-Dimethoxyphenyl)acrylamide","exact_mass":207.09,"inchikey":"QUKZILHYXHKAKT-GQCTYLIASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":208.098084,"smiles":"COC1=C(OC)C=C(\\C=C\\C(N)=O)C=C1","spectrum_id":"CCMSLIB00000852814","spectrum_index":4135},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385957-01_C11H13NO3_(2E)-3-(3,4-Dimethoxyphenyl)acrylamide","exact_mass":207.09,"inchikey":"QUKZILHYXHKAKT-GQCTYLIASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.080627,"smiles":"COC1=C(OC)C=C(\\C=C\\C(N)=O)C=C1","spectrum_id":"CCMSLIB00000852815","spectrum_index":4136},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385958-01_C9H14O5_","exact_mass":202.084,"inchikey":"CDZOCZBUJPNTLZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":225.074936,"smiles":"CCC(C)(O)C1(COC(=O)C1)C(O)=O","spectrum_id":"CCMSLIB00000852817","spectrum_index":4137},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385959-01_C15H16N2O4_(2E,11aS)-2-Ethylidene-8-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione","exact_mass":288.111,"inchikey":"KXUMNEWSLYWWIA-BAQGIRSFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.120697,"smiles":"COC1=C(O)C=C2NC(=O)C3CC(/CN3C(=O)C2=C1)=C/C","spectrum_id":"CCMSLIB00000852819","spectrum_index":4138},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380901-01_C23H24O10S_","exact_mass":492.109,"inchikey":"HLYSUPRTSCOCTI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.112,"smiles":"CC/1=C2/C(C3OC(=O)C(C[S+](O)([O-])=O)C3C(C1)OC(=O)CC4=CC=C(O)C=C4)\\C(=C/C2=O)CO","spectrum_id":"CCMSLIB00000852821","spectrum_index":4139},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380910-01_C15H17NO5_2,6-Piperidinedione, 4-[2-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]-2-oxoethyl]-","exact_mass":291.111,"inchikey":"LCUSCMFPERKRCU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.105194,"smiles":"CC1=CC(=C(O)C(=C1)CO)C(=O)CC2CC(=O)NC(=O)C2","spectrum_id":"CCMSLIB00000852824","spectrum_index":4140},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380910-01_C15H17NO5_2,6-Piperidinedione, 4-[2-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]-2-oxoethyl]-","exact_mass":291.111,"inchikey":"LCUSCMFPERKRCU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.097382,"smiles":"CC1=CC(=C(O)C(=C1)CO)C(=O)CC2CC(=O)NC(=O)C2","spectrum_id":"CCMSLIB00000852826","spectrum_index":4141},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380910-01_C15H17NO5_2,6-Piperidinedione, 4-[2-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]-2-oxoethyl]-","exact_mass":291.111,"inchikey":"LCUSCMFPERKRCU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.141632,"smiles":"CC1=CC(=C(O)C(=C1)CO)C(=O)CC2CC(=O)NC(=O)C2","spectrum_id":"CCMSLIB00000852828","spectrum_index":4142},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380913-01_C20H28O5_2(3H)-Furanone, 5-[4-[1-(acetyloxy)-4-oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl]butyl]dihydro-","exact_mass":348.194,"inchikey":"ARNKLTDIWFIVMO-PLNGDYQASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.197968,"smiles":"CC\\C=C/CC1C(=O)\\C=C/C1(CCCCC2CCC(=O)O2)OC(C)=O","spectrum_id":"CCMSLIB00000852830","spectrum_index":4143},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380913-01_C20H28O5_2(3H)-Furanone, 5-[4-[1-(acetyloxy)-4-oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl]butyl]dihydro-","exact_mass":348.194,"inchikey":"ARNKLTDIWFIVMO-PLNGDYQASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.224182,"smiles":"CC\\C=C/CC1C(=O)\\C=C/C1(CCCCC2CCC(=O)O2)OC(C)=O","spectrum_id":"CCMSLIB00000852832","spectrum_index":4144},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380913-01_C20H28O5_2(3H)-Furanone, 5-[4-[1-(acetyloxy)-4-oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl]butyl]dihydro-","exact_mass":348.194,"inchikey":"ARNKLTDIWFIVMO-PLNGDYQASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.179657,"smiles":"CC\\C=C/CC1C(=O)\\C=C/C1(CCCCC2CCC(=O)O2)OC(C)=O","spectrum_id":"CCMSLIB00000852834","spectrum_index":4145},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169363-02_C20H30O5_2(5H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-1-hydroxyethyl]-","exact_mass":350.209,"inchikey":"KHQNSSJNIXVKMK-QSCDNJGLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.216736,"smiles":"C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(O)\\C3=C\\COC3=O)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00000852835","spectrum_index":4146},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169363-02_C20H30O5_2(5H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-1-hydroxyethyl]-","exact_mass":350.209,"inchikey":"KHQNSSJNIXVKMK-QSCDNJGLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.206116,"smiles":"C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(O)\\C3=C\\COC3=O)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00000852837","spectrum_index":4147},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385113-01_C48H82O18_(3beta,5xi,6alpha,9xi,12beta)-6-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-3,12-dihydroxydammar-24-en-20-yl beta-D-glucopyranoside","exact_mass":946.55,"inchikey":"PWAOOJDMFUQOKB-DQASNDRCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":969.530701,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]3C[C@]4(C)C(C[C@@H](O)[C@@H]5[C@H](CC[C@@]45C)[C@](C)(CCC=C(C)C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@]7(C)CC[C@H](O)C(C)(C)C37)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852839","spectrum_index":4148},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385114-01_C41H70O13_(3beta,5xi,6alpha,9xi,12beta)-3,12,20-Trihydroxydammar-24-en-6-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside","exact_mass":770.482,"inchikey":"FNIRVWPHRMMRQI-JLFYWXTPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":753.474792,"smiles":"CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)CC3[C@@]4(C)CC[C@H](O)C(C)(C)C4[C@H](C[C@@]23C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000852842","spectrum_index":4149},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385115-01_C16H24O7_beta-D-Glucopyranoside, 4-hydroxy-2-methyl-5-(1-methylethyl)phenyl","exact_mass":328.152,"inchikey":"XFPSRAYOBUHKRV-IBEHDNSVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.185944,"smiles":"CC(C)C1=C(O)C=C(C)C(=C1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000852843","spectrum_index":4150},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385117-01_C15H18O9_(2E)-3-[3-(beta-D-Glucopyranosyloxy)-4-hydroxyphenyl]acrylic acid","exact_mass":342.095,"inchikey":"QOPSZFXPZWQLOG-VHCZEJTMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.084045,"smiles":"OC[C@H]1O[C@@H](OC2=C(O)C=CC(=C2)\\C=C\\C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852845","spectrum_index":4151},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385118-01_C17H26O11_1-(Hexopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl acetate","exact_mass":406.148,"inchikey":"CAFTUQNGDROXEZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.136047,"smiles":"CC(=O)OC1(C)CC(O)C2(O)\\C=C/OC(OC3OC(CO)C(O)C(O)C3O)C12","spectrum_id":"CCMSLIB00000852847","spectrum_index":4152},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385122-01_C48H78O20_beta-D-Glucopyranose, O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-1-O-[(2alpha,3beta,5xi,6beta,9xi)-2,3,6,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-","exact_mass":974.509,"inchikey":"NNWMHSNRRWMMBI-CTLQTXLOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":975.508179,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C/6=C/CC7[C@@]8(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C8[C@H](O)C[C@@]7(C)[C@]6(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852849","spectrum_index":4153},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385122-01_C48H78O20_beta-D-Glucopyranose, O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-1-O-[(2alpha,3beta,5xi,6beta,9xi)-2,3,6,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-","exact_mass":974.509,"inchikey":"NNWMHSNRRWMMBI-CTLQTXLOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":957.497986,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C/6=C/CC7[C@@]8(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C8[C@H](O)C[C@@]7(C)[C@]6(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852851","spectrum_index":4154},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180641-02_C30H46O8_Card-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxy-, (3beta,5beta,8xi,9xi,17alpha)-","exact_mass":534.319,"inchikey":"VPUNMTHWNSJUOG-JGFVFIPGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.32135,"smiles":"CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CCC4C3CC[C@]5(C)[C@@H](CC[C@]45O)\\C6=C\\C(=O)OC6)C2)[C@H]1O","spectrum_id":"CCMSLIB00000852853","spectrum_index":4155},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380862-01_C15H18O3_(4E,7Z)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione","exact_mass":246.126,"inchikey":"CAHQQYHQUHYOGU-GBLFQTLVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.130554,"smiles":"CC/1=C\\CC/C2=C/C(OC2=O)C(C)(C)/C=C\\C1=O","spectrum_id":"CCMSLIB00000852856","spectrum_index":4156},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380862-01_C15H18O3_(4E,7Z)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione","exact_mass":246.126,"inchikey":"CAHQQYHQUHYOGU-GBLFQTLVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.11264,"smiles":"CC/1=C\\CC/C2=C/C(OC2=O)C(C)(C)/C=C\\C1=O","spectrum_id":"CCMSLIB00000852857","spectrum_index":4157},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380865-01_C28H42O10_4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 4a-(acetyloxy)-9-[(hexopyranosyloxy)methyl]-1,1a,4a,5,6,7,7a,10,11,11a-decahydro-7-hydroxy-1,1,3,6-tetramethyl-, (8E)-","exact_mass":538.278,"inchikey":"WJZFXCPBSLOUNH-CTWANCMXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":539.279724,"smiles":"CC1CC2(OC(C)=O)C(\\C=C(/CCC3C(/C=C(C)/C2=O)C3(C)C)COC4OC(CO)C(O)C(O)C4O)C1O","spectrum_id":"CCMSLIB00000852859","spectrum_index":4158},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380867-01_C27H46O9_9,12,15-Octadecatrienoic acid, 3-(hexopyranosyloxy)-2-hydroxypropyl ester, (9Z,12Z,15Z)-","exact_mass":514.314,"inchikey":"HUSISCNTLUEZCN-PDBXOOCHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":497.306305,"smiles":"CC\\C=C/C/C=C\\C\\C=C/CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852861","spectrum_index":4159},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380867-01_C27H46O9_9,12,15-Octadecatrienoic acid, 3-(hexopyranosyloxy)-2-hydroxypropyl ester, (9Z,12Z,15Z)-","exact_mass":514.314,"inchikey":"HUSISCNTLUEZCN-PDBXOOCHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":532.342834,"smiles":"CC\\C=C/C/C=C\\C\\C=C/CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852864","spectrum_index":4160},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380867-01_C27H46O9_9,12,15-Octadecatrienoic acid, 3-(hexopyranosyloxy)-2-hydroxypropyl ester, (9Z,12Z,15Z)-","exact_mass":514.314,"inchikey":"HUSISCNTLUEZCN-PDBXOOCHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":537.298035,"smiles":"CC\\C=C/C/C=C\\C\\C=C/CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852865","spectrum_index":4161},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380868-01_C24H30O14_Methyl (2S,3R,4S)-2-(beta-D-glucopyranosyloxy)-4-{2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl}-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":542.164,"inchikey":"SMTKSCGLXONVGL-UPIRYGIPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.16571,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1CCOC(=O)C3=CC(=C(O)C(=C3)O)O","spectrum_id":"CCMSLIB00000852867","spectrum_index":4162},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169459-03_C27H38O8_1-Phenanthrenecarboxylic acid, 4,8,9-tris(acetyloxy)-7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, (1R,4S,4aS,7R,8S,9R)-","exact_mass":490.257,"inchikey":"HPLALXILNGTIHC-WJKVYVNYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":513.245605,"smiles":"COC(=O)[C@]1(C)CC[C@H](OC(C)=O)[C@@]\\2(C)C1C[C@@H](OC(C)=O)\\C3=C2CC[C@](C)(C=C)[C@@H]3OC(C)=O","spectrum_id":"CCMSLIB00000852869","spectrum_index":4163},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385272-01_C20H28O4_5-[2-(3-Furyl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid","exact_mass":332.199,"inchikey":"PHKSUFCCGLWIMC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.206573,"smiles":"CC1CCC\\2(CO)C(CC\\C=C2C(O)=O)C1(C)CCC3=COC=C3","spectrum_id":"CCMSLIB00000852872","spectrum_index":4164},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385272-01_C20H28O4_5-[2-(3-Furyl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid","exact_mass":332.199,"inchikey":"PHKSUFCCGLWIMC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.195801,"smiles":"CC1CCC\\2(CO)C(CC\\C=C2C(O)=O)C1(C)CCC3=COC=C3","spectrum_id":"CCMSLIB00000852874","spectrum_index":4165},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385273-01_C15H20O3_Naphtho[1,2-b]furan-2(3H)-one, decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-, (3aS,5aR,6R,9aS,9bS)-","exact_mass":248.141,"inchikey":"FKBUODICGDOIGB-PFFFPCNUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.149139,"smiles":"C[C@@]12CC[C@@H]3[C@H](OC(=O)C3=C)[C@H]1C(=C)CC[C@H]2O","spectrum_id":"CCMSLIB00000852875","spectrum_index":4166},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385273-01_C15H20O3_Naphtho[1,2-b]furan-2(3H)-one, decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-, (3aS,5aR,6R,9aS,9bS)-","exact_mass":248.141,"inchikey":"FKBUODICGDOIGB-PFFFPCNUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.138275,"smiles":"C[C@@]12CC[C@@H]3[C@H](OC(=O)C3=C)[C@H]1C(=C)CC[C@H]2O","spectrum_id":"CCMSLIB00000852877","spectrum_index":4167},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385275-01_C17H24O11_[2-(beta-D-Glucopyranosyloxy)-5-(methoxycarbonyl)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]acetic acid","exact_mass":404.132,"inchikey":"MQLSOVRLZHTATK-WNCYHATQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.139313,"smiles":"COC(=O)C/1=C/OC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C=C)C1CC(O)=O","spectrum_id":"CCMSLIB00000852883","spectrum_index":4168},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385275-01_C17H24O11_[2-(beta-D-Glucopyranosyloxy)-5-(methoxycarbonyl)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]acetic acid","exact_mass":404.132,"inchikey":"MQLSOVRLZHTATK-WNCYHATQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.122101,"smiles":"COC(=O)C/1=C/OC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C=C)C1CC(O)=O","spectrum_id":"CCMSLIB00000852886","spectrum_index":4169},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385276-01_C20H26O7_(2a'R,3R,3'R,5'R,8'S,9a'R)-5-(3-Furyl)-3',8'-dihydroxy-9a'-(hydroxymethyl)-5'-methyloctahydro-3'H,6a'H-spiro[furan-3,6'-naphtho[1,8a-b]oxet]-2-one","exact_mass":378.168,"inchikey":"PEEGIHKIWQFTKW-PWEDHXQCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.175171,"smiles":"C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)C[C@@H](O)CC3[C@@]14CC(OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000852888","spectrum_index":4170},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385277-01_C24H30O12_(1S,4aS,5R,7S)-1-(beta-D-Glucopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl (2E)-3-(4-hydroxyphenyl)acrylate","exact_mass":510.174,"inchikey":"AZKQDXZMKREFDY-LGKDJQOASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":533.162231,"smiles":"C[C@@]1(C[C@@H](O)[C@]2(O)\\C=C/O[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C12)OC(=O)\\C=C\\C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000852890","spectrum_index":4171},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180591-02_C36H58O10_1-O-[(2alpha,3beta,5xi,9xi,18xi)-2,3,23-Trihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":650.403,"inchikey":"CJHYKSSBQRABTM-GKNYHGHUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":673.392334,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000852892","spectrum_index":4172},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380482-01_C15H22O6_Methyl 2-(1,3,5-trihydroxy-4a-methyl-8-oxodecahydro-2-naphthalenyl)acrylate","exact_mass":298.142,"inchikey":"FLZGWKBABNBFOA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.150146,"smiles":"COC(=O)C(=C)C1C(O)CC2(C)C(O)CCC(=O)C2C1O","spectrum_id":"CCMSLIB00000852893","spectrum_index":4173},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380482-01_C15H22O6_Methyl 2-(1,3,5-trihydroxy-4a-methyl-8-oxodecahydro-2-naphthalenyl)acrylate","exact_mass":298.142,"inchikey":"FLZGWKBABNBFOA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.131958,"smiles":"COC(=O)C(=C)C1C(O)CC2(C)C(O)CCC(=O)C2C1O","spectrum_id":"CCMSLIB00000852896","spectrum_index":4174},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380482-01_C15H22O6_Methyl 2-(1,3,5-trihydroxy-4a-methyl-8-oxodecahydro-2-naphthalenyl)acrylate","exact_mass":298.142,"inchikey":"FLZGWKBABNBFOA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.105286,"smiles":"COC(=O)C(=C)C1C(O)CC2(C)C(O)CCC(=O)C2C1O","spectrum_id":"CCMSLIB00000852897","spectrum_index":4175},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380484-01_C22H36O12_beta-D-Glucopyranose, 6-O-beta-D-glucopyranosyl-1-O-[(2,6,6-trimethyl-1-cyclohexen-1-yl)carbonyl]-","exact_mass":492.221,"inchikey":"URTXXFGOVQACIC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":510.255646,"smiles":"CC/1=C(C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)/C(C)(C)CCC1","spectrum_id":"CCMSLIB00000852900","spectrum_index":4176},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380484-01_C22H36O12_beta-D-Glucopyranose, 6-O-beta-D-glucopyranosyl-1-O-[(2,6,6-trimethyl-1-cyclohexen-1-yl)carbonyl]-","exact_mass":492.221,"inchikey":"URTXXFGOVQACIC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":515.210999,"smiles":"CC/1=C(C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)/C(C)(C)CCC1","spectrum_id":"CCMSLIB00000852902","spectrum_index":4177},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380492-01_C19H26O11_Ethanone, 1-[4-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]phenyl]-","exact_mass":430.148,"inchikey":"YQOKGDRMWQLQNR-BMVMOQKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.155914,"smiles":"CC(=O)C1=CC=C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000852903","spectrum_index":4178},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380492-01_C19H26O11_Ethanone, 1-[4-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]phenyl]-","exact_mass":430.148,"inchikey":"YQOKGDRMWQLQNR-BMVMOQKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.138184,"smiles":"CC(=O)C1=CC=C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000852905","spectrum_index":4179},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380493-01_C17H24O12_4H-Pyran-4-one, 2-methyl-3-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-beta-D-glucopyranosyl]oxy]-","exact_mass":420.127,"inchikey":"OXNYNKGAOAFFBD-AHZIVMAWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.135345,"smiles":"CC/1=C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)/C(=O)/C=C\\O1","spectrum_id":"CCMSLIB00000852908","spectrum_index":4180},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380493-01_C17H24O12_4H-Pyran-4-one, 2-methyl-3-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-beta-D-glucopyranosyl]oxy]-","exact_mass":420.127,"inchikey":"OXNYNKGAOAFFBD-AHZIVMAWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.116913,"smiles":"CC/1=C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)/C(=O)/C=C\\O1","spectrum_id":"CCMSLIB00000852910","spectrum_index":4181},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380497-01_C27H36O6_1-Naphthalenecarboxylic acid, 8-(benzoyloxy)decahydro-7-hydroxy-5-[(3Z)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-","exact_mass":456.251,"inchikey":"ZBHRERABGSTQPS-LGMDPLHJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.249451,"smiles":"CC(/CCC1C(=C)C(O)C(OC(=O)C2=CC=CC=C2)C3C1(C)CCCC3(C)C(O)=O)=C/CO","spectrum_id":"CCMSLIB00000852911","spectrum_index":4182},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380497-01_C27H36O6_1-Naphthalenecarboxylic acid, 8-(benzoyloxy)decahydro-7-hydroxy-5-[(3Z)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-","exact_mass":456.251,"inchikey":"ZBHRERABGSTQPS-LGMDPLHJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":474.285767,"smiles":"CC(/CCC1C(=C)C(O)C(OC(=O)C2=CC=CC=C2)C3C1(C)CCCC3(C)C(O)=O)=C/CO","spectrum_id":"CCMSLIB00000852913","spectrum_index":4183},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380497-01_C27H36O6_1-Naphthalenecarboxylic acid, 8-(benzoyloxy)decahydro-7-hydroxy-5-[(3Z)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-","exact_mass":456.251,"inchikey":"ZBHRERABGSTQPS-LGMDPLHJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.241364,"smiles":"CC(/CCC1C(=C)C(O)C(OC(=O)C2=CC=CC=C2)C3C1(C)CCCC3(C)C(O)=O)=C/CO","spectrum_id":"CCMSLIB00000852916","spectrum_index":4184},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380498-01_C48H76O18_(3beta,5xi,9xi,22beta)-22-Hydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranuronosyl-(1->2)-beta-D-glucopyranosiduronic acid","exact_mass":940.503,"inchikey":"VVWSVSOPOPDXMM-VXHRKZPFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":958.534424,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7[C@@H]8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@@]67C)C4(C)C)C(O)=O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000852918","spectrum_index":4185},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347848-02_C22H26O12_Benzoic acid, 4-hydroxy-, (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester","exact_mass":482.142,"inchikey":"UXSACQOOWZMGSE-RWORTQBESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":505.132629,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3[C@H](OC(=O)C4=CC=C(O)C=C4)[C@@H]5O[C@]5(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852919","spectrum_index":4186},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384567-01_C10H12N2O3_N-(2-Aminobenzoyl)alanine","exact_mass":208.085,"inchikey":"URJSQVJWZNGFOL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":209.092804,"smiles":"CC(NC(=O)C1=CC=CC=C1N)C(O)=O","spectrum_id":"CCMSLIB00000852921","spectrum_index":4187},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384567-01_C10H12N2O3_N-(2-Aminobenzoyl)alanine","exact_mass":208.085,"inchikey":"URJSQVJWZNGFOL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.075195,"smiles":"CC(NC(=O)C1=CC=CC=C1N)C(O)=O","spectrum_id":"CCMSLIB00000852923","spectrum_index":4188},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384568-01_C20H30O4_Kaurane-17,18-dioic acid","exact_mass":334.214,"inchikey":"HITLMPHPGUZLGI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.223358,"smiles":"CC12CCCC(C)(C1CCC34CC(CCC23)C(C4)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000852926","spectrum_index":4189},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384568-01_C20H30O4_Kaurane-17,18-dioic acid","exact_mass":334.214,"inchikey":"HITLMPHPGUZLGI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":352.25,"smiles":"CC12CCCC(C)(C1CCC34CC(CCC23)C(C4)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000852927","spectrum_index":4190},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384570-01_C11H19NO6_Butanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl-","exact_mass":261.121,"inchikey":"WEWBWVMTOYUPHH-GXUZYPEDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.15625,"smiles":"CCC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N","spectrum_id":"CCMSLIB00000852930","spectrum_index":4191},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384570-01_C11H19NO6_Butanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl-","exact_mass":261.121,"inchikey":"WEWBWVMTOYUPHH-GXUZYPEDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.111725,"smiles":"CCC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N","spectrum_id":"CCMSLIB00000852932","spectrum_index":4192},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384573-01_C24H28O11_2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(1S,4aR,5S,7aS)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxycyclopenta[c]pyran-7-yl]methyl ester, (2E)-","exact_mass":492.163,"inchikey":"DQTBTFHCLVMGBP-WXUDOLSOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.161255,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3[C@H](O)\\C=C(COC(=O)\\C=C\\C4=CC=C(O)C=C4)/[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852933","spectrum_index":4193},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384573-01_C24H28O11_2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(1S,4aR,5S,7aS)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxycyclopenta[c]pyran-7-yl]methyl ester, (2E)-","exact_mass":492.163,"inchikey":"DQTBTFHCLVMGBP-WXUDOLSOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":515.153687,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3[C@H](O)\\C=C(COC(=O)\\C=C\\C4=CC=C(O)C=C4)/[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000852935","spectrum_index":4194},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384574-01_C19H24O6_2,5-Methanonaphth[1,2-d]oxepin-4,6,10(2H)-trione, 1,5,5a,7,7a,11,11a,11b-octahydro-1,11-dihydroxy-5a,8,11a,12-tetramethyl-, (1R,2R,5S,5aR,7aS,11S,11aS,12R)-","exact_mass":348.157,"inchikey":"OGHYZHNTIINXEO-OKOZLQSHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.165833,"smiles":"C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]3(C)C([C@H]2O)[C@@]4(C)[C@H](O)C(=O)\\C=C(C)/[C@@H]4CC3=O","spectrum_id":"CCMSLIB00000852938","spectrum_index":4195},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384574-01_C19H24O6_2,5-Methanonaphth[1,2-d]oxepin-4,6,10(2H)-trione, 1,5,5a,7,7a,11,11a,11b-octahydro-1,11-dihydroxy-5a,8,11a,12-tetramethyl-, (1R,2R,5S,5aR,7aS,11S,11aS,12R)-","exact_mass":348.157,"inchikey":"OGHYZHNTIINXEO-OKOZLQSHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.148682,"smiles":"C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]3(C)C([C@H]2O)[C@@]4(C)[C@H](O)C(=O)\\C=C(C)/[C@@H]4CC3=O","spectrum_id":"CCMSLIB00000852940","spectrum_index":4196},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169180-03_C17H24O11_Cyclopenta[c]pyran-4,7-dicarboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-, 4-methyl ester, (1S,4aS,7S,7aS)-","exact_mass":404.132,"inchikey":"RLCWEUBIDIWNEA-JACXBSBZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.121338,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@H](CC[C@H]13)C(O)=O","spectrum_id":"CCMSLIB00000852941","spectrum_index":4197},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347814-02_C29H37NO13_","exact_mass":607.227,"inchikey":"CZSDLEOHLKBTSI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":608.23291,"smiles":"CC(=O)N1CCC2=CC=C(O)C(=C2C1CC3=CC=C(O)C=C3)OC4OC(COC5OCC(O)(CO)C5O)C(O)C(O)C4O","spectrum_id":"CCMSLIB00000852943","spectrum_index":4198},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347814-02_C29H37NO13_","exact_mass":607.227,"inchikey":"CZSDLEOHLKBTSI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":630.213623,"smiles":"CC(=O)N1CCC2=CC=C(O)C(=C2C1CC3=CC=C(O)C=C3)OC4OC(COC5OCC(O)(CO)C5O)C(O)C(O)C4O","spectrum_id":"CCMSLIB00000852945","spectrum_index":4199},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347842-02_C21H34O4_1-Naphthalenepentanoic acid, decahydro-5-(methoxycarbonyl)-beta,5,8a-trimethyl-2-methylene-","exact_mass":350.246,"inchikey":"WTDIRAZPDUAJEB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.253235,"smiles":"COC(=O)C1(C)CCCC2(C)C(CCC(C)CC(O)=O)C(=C)CCC12","spectrum_id":"CCMSLIB00000852947","spectrum_index":4200},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347842-02_C21H34O4_1-Naphthalenepentanoic acid, decahydro-5-(methoxycarbonyl)-beta,5,8a-trimethyl-2-methylene-","exact_mass":350.246,"inchikey":"WTDIRAZPDUAJEB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":368.279724,"smiles":"COC(=O)C1(C)CCCC2(C)C(CCC(C)CC(O)=O)C(=C)CCC12","spectrum_id":"CCMSLIB00000852949","spectrum_index":4201},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380144-01_C20H28O3_(8E)-14-Hydroxy-5,9,12,13-tetramethyl-16-methylene-4-oxatricyclo[10.3.1.0~3,5~]hexadeca-1(15),8-dien-2-one","exact_mass":316.204,"inchikey":"VHPDNWQKZMURPV-KPKJPENVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.209686,"smiles":"CC1C(O)\\C=C/2C(=O)C3OC3(C)CC\\C=C(C)\\CCC1(C)C2=C","spectrum_id":"CCMSLIB00000852951","spectrum_index":4202},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380144-01_C20H28O3_(8E)-14-Hydroxy-5,9,12,13-tetramethyl-16-methylene-4-oxatricyclo[10.3.1.0~3,5~]hexadeca-1(15),8-dien-2-one","exact_mass":316.204,"inchikey":"VHPDNWQKZMURPV-KPKJPENVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.200592,"smiles":"CC1C(O)\\C=C/2C(=O)C3OC3(C)CC\\C=C(C)\\CCC1(C)C2=C","spectrum_id":"CCMSLIB00000852953","spectrum_index":4203},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380144-01_C20H28O3_(8E)-14-Hydroxy-5,9,12,13-tetramethyl-16-methylene-4-oxatricyclo[10.3.1.0~3,5~]hexadeca-1(15),8-dien-2-one","exact_mass":316.204,"inchikey":"VHPDNWQKZMURPV-KPKJPENVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.193207,"smiles":"CC1C(O)\\C=C/2C(=O)C3OC3(C)CC\\C=C(C)\\CCC1(C)C2=C","spectrum_id":"CCMSLIB00000852955","spectrum_index":4204},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380147-01_C26H34O8_","exact_mass":474.225,"inchikey":"WVSSNUZLIYYGTF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.232269,"smiles":"COC(=O)C12C(=O)C(C)(O)C(=O)C1(C)\\C(=C/C3C2(C)CCC4C(C)(CO)C5CCC34C(=O)O5)C","spectrum_id":"CCMSLIB00000852957","spectrum_index":4205},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380149-01_C22H26O11_Benzoic acid, 4-hydroxy-, 1-(hexopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta[c]pyran-5-yl ester","exact_mass":466.148,"inchikey":"JZWZFNOVWZEQMF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":484.181641,"smiles":"OCC1OC(OC2O\\C=C/C3C(OC(=O)C4=CC=C(O)C=C4)\\C=C(CO)/C23)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852959","spectrum_index":4206},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380149-01_C22H26O11_Benzoic acid, 4-hydroxy-, 1-(hexopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta[c]pyran-5-yl ester","exact_mass":466.148,"inchikey":"JZWZFNOVWZEQMF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.136688,"smiles":"OCC1OC(OC2O\\C=C/C3C(OC(=O)C4=CC=C(O)C=C4)\\C=C(CO)/C23)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000852961","spectrum_index":4207},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169726-02_C15H18O4_(3aR,4R,6aR,8S,9aR,9bR)-4,8-Dihydroxy-3,6,9-tris(methylene)decahydroazuleno[4,5-b]furan-2(3H)-one","exact_mass":262.121,"inchikey":"VPRPYNVJJXOFKZ-BSCCGWMCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.117203,"smiles":"O[C@@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]3OC(=O)C(=C)[C@H]13","spectrum_id":"CCMSLIB00000852963","spectrum_index":4208},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169726-02_C15H18O4_(3aR,4R,6aR,8S,9aR,9bR)-4,8-Dihydroxy-3,6,9-tris(methylene)decahydroazuleno[4,5-b]furan-2(3H)-one","exact_mass":262.121,"inchikey":"VPRPYNVJJXOFKZ-BSCCGWMCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":304.154419,"smiles":"O[C@@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]3OC(=O)C(=C)[C@H]13","spectrum_id":"CCMSLIB00000852965","spectrum_index":4209},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380204-01_C26H38O6_Androsta-11,15-diene-14-carboxylic acid, 3,15,19-trihydroxy-4,4,8,12,16-pentamethyl-17-oxo-, methyl ester","exact_mass":446.267,"inchikey":"MSEOJWPNMYHKMI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.273987,"smiles":"COC(=O)C12\\C(=C(C)/C(=O)C1(C)\\C(=C/C3C2(C)CCC4C(C)(C)C(O)CCC34CO)C)O","spectrum_id":"CCMSLIB00000852967","spectrum_index":4210},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380205-01_C27H35ClN4O6_2(6H)-Isoquinolineacetic acid, 7-(acetyloxy)-alpha-[3-[(aminoiminomethyl)amino]propyl]-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7,8-dihydro-7-methyl-6,8-dioxo-","exact_mass":546.224,"inchikey":"PHSKBYXSIKEPBQ-HMSDUJDUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":547.231262,"smiles":"CCC(C)/C=C(C)/C=C/C1=C/C/2=C(Cl)/C(=O)C(C)(OC(C)=O)C(=O)C2=C\\N1C(CCCNC(N)=N)C(O)=O","spectrum_id":"CCMSLIB00000852969","spectrum_index":4211},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380210-01_C18H30O8_Cyclopentaneacetic acid, 3-(hexopyranosyloxy)-2-[(2Z)-2-penten-1-yl]-","exact_mass":374.194,"inchikey":"GJZJZRWFRZFTEE-ARJAWSKDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.201355,"smiles":"CC\\C=C/CC1C(CCC1OC2OC(CO)C(O)C(O)C2O)CC(O)=O","spectrum_id":"CCMSLIB00000852971","spectrum_index":4212},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380210-01_C18H30O8_Cyclopentaneacetic acid, 3-(hexopyranosyloxy)-2-[(2Z)-2-penten-1-yl]-","exact_mass":374.194,"inchikey":"GJZJZRWFRZFTEE-ARJAWSKDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":392.227905,"smiles":"CC\\C=C/CC1C(CCC1OC2OC(CO)C(O)C(O)C2O)CC(O)=O","spectrum_id":"CCMSLIB00000852973","spectrum_index":4213},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380210-01_C18H30O8_Cyclopentaneacetic acid, 3-(hexopyranosyloxy)-2-[(2Z)-2-penten-1-yl]-","exact_mass":374.194,"inchikey":"GJZJZRWFRZFTEE-ARJAWSKDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.182892,"smiles":"CC\\C=C/CC1C(CCC1OC2OC(CO)C(O)C(O)C2O)CC(O)=O","spectrum_id":"CCMSLIB00000852976","spectrum_index":4214},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380213-01_C19H32O8_2-Butanone, 4-[3-(beta-D-glucopyranosyloxy)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-","exact_mass":388.21,"inchikey":"JVIDANAJZDBKRL-FJUMDGKUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.217072,"smiles":"CC(=O)CCC/1=C(C)/C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)CC1(C)C","spectrum_id":"CCMSLIB00000852977","spectrum_index":4215},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380213-01_C19H32O8_2-Butanone, 4-[3-(beta-D-glucopyranosyloxy)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-","exact_mass":388.21,"inchikey":"JVIDANAJZDBKRL-FJUMDGKUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.206573,"smiles":"CC(=O)CCC/1=C(C)/C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)CC1(C)C","spectrum_id":"CCMSLIB00000852979","spectrum_index":4216},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380213-01_C19H32O8_2-Butanone, 4-[3-(beta-D-glucopyranosyloxy)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-","exact_mass":388.21,"inchikey":"JVIDANAJZDBKRL-FJUMDGKUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.198578,"smiles":"CC(=O)CCC/1=C(C)/C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)CC1(C)C","spectrum_id":"CCMSLIB00000852981","spectrum_index":4217},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380217-01_C20H28O4_4a(2H)-Phenanthrenecarboxylic acid, 7-ethenyl-1,3,4,4b,5,6,7,9,10,10a-decahydro-4b-hydroxy-1,1,7-trimethyl-9-oxo-","exact_mass":332.199,"inchikey":"VIDNIVWPSMVGJV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.20636,"smiles":"CC1(C)CCCC2(C1CC(=O)\\C3=C\\C(C)(CCC23O)C=C)C(O)=O","spectrum_id":"CCMSLIB00000852983","spectrum_index":4218},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380217-01_C20H28O4_4a(2H)-Phenanthrenecarboxylic acid, 7-ethenyl-1,3,4,4b,5,6,7,9,10,10a-decahydro-4b-hydroxy-1,1,7-trimethyl-9-oxo-","exact_mass":332.199,"inchikey":"VIDNIVWPSMVGJV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.195892,"smiles":"CC1(C)CCCC2(C1CC(=O)\\C3=C\\C(C)(CCC23O)C=C)C(O)=O","spectrum_id":"CCMSLIB00000852985","spectrum_index":4219},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380223-01_C20H24N2O5_3-Pyridinecarboxylic acid, 1,4-dihydro-6-(hydroxyphenylmethyl)-1-[2-[(3-methyl-1-oxobutyl)amino]ethyl]-4-oxo-","exact_mass":372.169,"inchikey":"YTPQOAKWPUOEEC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.176178,"smiles":"CC(C)CC(=O)NCCN1\\C=C(C(O)=O)/C(=O)/C=C1/C(O)C2=CC=CC=C2","spectrum_id":"CCMSLIB00000852987","spectrum_index":4220},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163426-02_C35H58O9_alpha-D-threo-Pentopyranose, 2,4-dideoxy-1-C-[(1S,2R,3S)-2-hydroxy-3-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-1-methylbutyl]-4-methyl-5-C-(1-methylethyl)-, (5R)-","exact_mass":622.408,"inchikey":"XDHNQDDQEHDUTM-JQWOJBOSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":645.401672,"smiles":"CO[C@H]1/C=C/C=C(C)/C[C@H](C)[C@H](O)[C@H](C)\\C=C(C)\\C=C(OC)\\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@H](O2)C(C)C","spectrum_id":"CCMSLIB00000852989","spectrum_index":4221},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347719-02_C32H46O10_1H-Benz[e]indene-6,7-diacetic acid, 3-[(3E)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-2-hydroxy-alpha~7~,alpha~7~,3a,5a,9b-pentamethyl-5-oxo-","exact_mass":590.309,"inchikey":"AEGZYCGXUREGSM-OUKQBFOZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":613.301819,"smiles":"CC(=O)OC(C)(C)\\C=C\\C(=O)C(C)(O)C1C(O)CC2(C)C3C\\C=C(/C(CC(O)=O)C3(C)C(=O)CC12C)C(C)(C)C(O)=O","spectrum_id":"CCMSLIB00000852992","spectrum_index":4222},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380603-02_C15H17NO5_Benzoic acid, 4-[[tetrahydro-2-[(1E)-3-hydroxy-1-buten-1-yl]-5-oxo-3-furanyl]amino]-","exact_mass":291.111,"inchikey":"IZSWILLJDXDGDJ-FARCUNLSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":292.120789,"smiles":"CC(O)/C=C/C1OC(=O)CC1NC2=CC=C(C=C2)C(O)=O","spectrum_id":"CCMSLIB00000852994","spectrum_index":4223},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380663-01_C24H26O8_Spiro[furo[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f][2]benzopyran-7(9H),2'-oxirane]-1,5,9,13(2H,3aH,11H)-tetrone, 5a,6,6a,13a,13b,13c-hexahydro-2,5a,11,11,13a-pentamethyl-","exact_mass":442.163,"inchikey":"PCBBMDQLBUYDDZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.174164,"smiles":"CC1OC2OC(=O)C3(C)CC4C(C)(C(C23)C1=O)C(=O)\\C=C5/C(=C\\C(=O)OC5(C)C)C46CO6","spectrum_id":"CCMSLIB00000852996","spectrum_index":4224},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380665-01_C16H18O5_(8E)-11,13-Dihydroxy-4-methyl-4,5,6,7-tetrahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione","exact_mass":290.115,"inchikey":"AVIRMQMUBGNCKS-GQCTYLIASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.12561,"smiles":"CC1CCC/C=C/C(=O)C2=C(O)C=C(O)C=C2CC(=O)O1","spectrum_id":"CCMSLIB00000852998","spectrum_index":4225},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380665-01_C16H18O5_(8E)-11,13-Dihydroxy-4-methyl-4,5,6,7-tetrahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione","exact_mass":290.115,"inchikey":"AVIRMQMUBGNCKS-GQCTYLIASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.152008,"smiles":"CC1CCC/C=C/C(=O)C2=C(O)C=C(O)C=C2CC(=O)O1","spectrum_id":"CCMSLIB00000853000","spectrum_index":4226},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380665-01_C16H18O5_(8E)-11,13-Dihydroxy-4-methyl-4,5,6,7-tetrahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione","exact_mass":290.115,"inchikey":"AVIRMQMUBGNCKS-GQCTYLIASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.107636,"smiles":"CC1CCC/C=C/C(=O)C2=C(O)C=C(O)C=C2CC(=O)O1","spectrum_id":"CCMSLIB00000853001","spectrum_index":4227},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380667-01_C15H20N2O4S2_Pyrazino[1,2-a]indole-1,4-dione, 2,3,5a,6,10,10a-hexahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylthio)-, (3R,5aS,6S,10aR)-","exact_mass":356.086,"inchikey":"OVBAGMZLGLXSBN-UOVKNHIHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.097229,"smiles":"CS[C@@]1(CO)N(C)C(=O)[C@@]2(CC/3=C/C=C\\[C@H](O)[C@H]3N2C1=O)SC","spectrum_id":"CCMSLIB00000853003","spectrum_index":4228},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380668-01_C48H78O18_(3beta,5xi,9xi,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid","exact_mass":942.519,"inchikey":"PTDAHAWQAGSZDD-VJQGOKKYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":943.530029,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7[C@@H]8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@@]67C)[C@@]4(C)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853006","spectrum_index":4229},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380668-01_C48H78O18_(3beta,5xi,9xi,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid","exact_mass":942.519,"inchikey":"PTDAHAWQAGSZDD-VJQGOKKYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":965.511597,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7[C@@H]8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@@]67C)[C@@]4(C)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853008","spectrum_index":4230},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380670-01_C19H36O8_[5-Hydroxy-2-(3-hydroxybutyl)-3,3-dimethylcyclohexyl]methyl beta-D-glucopyranoside","exact_mass":392.241,"inchikey":"GQUCOZSVXCLPKQ-SQNVVSGMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.252106,"smiles":"CC(O)CCC1C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(O)CC1(C)C","spectrum_id":"CCMSLIB00000853009","spectrum_index":4231},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385460-01_C14H17NO2_(2E)-3-(4-Methoxyphenyl)-1-(1-pyrrolidinyl)-2-propen-1-one","exact_mass":231.126,"inchikey":"JYEDISZKFNNREA-RMKNXTFCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":232.134766,"smiles":"COC1=CC=C(\\C=C\\C(=O)N2CCCC2)C=C1","spectrum_id":"CCMSLIB00000853011","spectrum_index":4232},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385460-01_C14H17NO2_(2E)-3-(4-Methoxyphenyl)-1-(1-pyrrolidinyl)-2-propen-1-one","exact_mass":231.126,"inchikey":"JYEDISZKFNNREA-RMKNXTFCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":254.11705,"smiles":"COC1=CC=C(\\C=C\\C(=O)N2CCCC2)C=C1","spectrum_id":"CCMSLIB00000853013","spectrum_index":4233},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385462-01_C22H34O5_1-Naphthalenepentanoic acid, 4-(acetyloxy)-3,4,4a,5,6,7,8,8a-octahydro-beta,2,5,5,8a-pentamethyl-3-oxo-, (4S,8aS)-","exact_mass":378.241,"inchikey":"XGQQRJZRTBKBRM-APTQHQDLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.250793,"smiles":"CC(CCC/1=C(C)/C(=O)[C@@H](OC(C)=O)C2C(C)(C)CCC[C@]12C)CC(O)=O","spectrum_id":"CCMSLIB00000853015","spectrum_index":4234},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385462-01_C22H34O5_1-Naphthalenepentanoic acid, 4-(acetyloxy)-3,4,4a,5,6,7,8,8a-octahydro-beta,2,5,5,8a-pentamethyl-3-oxo-, (4S,8aS)-","exact_mass":378.241,"inchikey":"XGQQRJZRTBKBRM-APTQHQDLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.232697,"smiles":"CC(CCC/1=C(C)/C(=O)[C@@H](OC(C)=O)C2C(C)(C)CCC[C@]12C)CC(O)=O","spectrum_id":"CCMSLIB00000853017","spectrum_index":4235},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385463-01_C21H28O6_(10E)-6-Formyl-5-methoxy-10-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate","exact_mass":376.189,"inchikey":"GOSBVXYBYVZYTR-WHMVALBYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.198517,"smiles":"CCC(C)C(=O)OC1C(OC)\\C(=C\\CC\\C(=C\\C2OC(=O)C(=C)C12)C)C=O","spectrum_id":"CCMSLIB00000853020","spectrum_index":4236},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385463-01_C21H28O6_(10E)-6-Formyl-5-methoxy-10-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate","exact_mass":376.189,"inchikey":"GOSBVXYBYVZYTR-WHMVALBYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.225128,"smiles":"CCC(C)C(=O)OC1C(OC)\\C(=C\\CC\\C(=C\\C2OC(=O)C(=C)C12)C)C=O","spectrum_id":"CCMSLIB00000853022","spectrum_index":4237},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385466-01_C27H32O14_(1S,4aS,6S,7aS)-6-Hydroxy-1-({6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}oxy)-7-methylene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":580.179,"inchikey":"QTVCLHJYLZANIP-QRXPZTDPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":581.189392,"smiles":"COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@H]2O[C@@H](O[C@@H]3O\\C=C(/[C@H]4C[C@H](O)C(=C)[C@@H]34)C(O)=O)[C@H](O)[C@@H](O)[C@@H]2O","spectrum_id":"CCMSLIB00000853023","spectrum_index":4238},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385466-01_C27H32O14_(1S,4aS,6S,7aS)-6-Hydroxy-1-({6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}oxy)-7-methylene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":580.179,"inchikey":"QTVCLHJYLZANIP-QRXPZTDPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.17865,"smiles":"COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@H]2O[C@@H](O[C@@H]3O\\C=C(/[C@H]4C[C@H](O)C(=C)[C@@H]34)C(O)=O)[C@H](O)[C@@H](O)[C@@H]2O","spectrum_id":"CCMSLIB00000853025","spectrum_index":4239},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385466-01_C27H32O14_(1S,4aS,6S,7aS)-6-Hydroxy-1-({6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}oxy)-7-methylene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":580.179,"inchikey":"QTVCLHJYLZANIP-QRXPZTDPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":603.170776,"smiles":"COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@H]2O[C@@H](O[C@@H]3O\\C=C(/[C@H]4C[C@H](O)C(=C)[C@@H]34)C(O)=O)[C@H](O)[C@@H](O)[C@@H]2O","spectrum_id":"CCMSLIB00000853027","spectrum_index":4240},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385467-01_C37H46O14_(1S,2R,3R,4S,5S,7R,8R,9S,10S,14R)-1,8,16-Triacetoxy-2-(2-acetoxyacetoxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0~3,7~.0~10,14~]hexadec-4-yl benzoate","exact_mass":714.289,"inchikey":"GVQACOLUOBLBLO-BOSZVHHSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":732.323486,"smiles":"C[C@H]1C[C@]2(O)[C@H](OC(C)=O)C3(C)[C@H]4CC(C)(C)C(=O)[C@@H]4CC(OC(C)=O)([C@H](OC(=O)COC(C)=O)[C@H]2[C@H]1OC(=O)C5=CC=CC=C5)[C@@H]3OC(C)=O","spectrum_id":"CCMSLIB00000853029","spectrum_index":4241},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385474-01_C21H24N2O4_2,6-Methano-1H-azecino[5,4-b]indole-14-carboxylic acid, 5-ethylidene-2,3,4,5,6,7,8,9-octahydro-3-methyl-8-oxo-, methyl ester, 3-oxide, (5E)-","exact_mass":368.174,"inchikey":"SCBWVOFEDKLZRF-QCDXTXTGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.184204,"smiles":"COC(=O)C1C\\2CC(=O)C3=C(CC1[N+](C)([O-])CC2=C/C)C4=CC=CC=C4[NH]3","spectrum_id":"CCMSLIB00000853031","spectrum_index":4242},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385477-01_C23H26O12_(1S,4aS,7aS)-6-Hydroxy-1-{[2-O-(4-hydroxybenzoyl)-beta-D-glucopyranosyl]oxy}-7-methylene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":494.142,"inchikey":"KBTSKABIWIUJAS-GLVOFWRWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":495.152496,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C(/[C@H]3CC(O)C(=C)[C@@H]23)C(O)=O)[C@H](OC(=O)C4=CC=C(O)C=C4)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853033","spectrum_index":4243},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385477-01_C23H26O12_(1S,4aS,7aS)-6-Hydroxy-1-{[2-O-(4-hydroxybenzoyl)-beta-D-glucopyranosyl]oxy}-7-methylene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","exact_mass":494.142,"inchikey":"KBTSKABIWIUJAS-GLVOFWRWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.135315,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C(/[C@H]3CC(O)C(=C)[C@@H]23)C(O)=O)[C@H](OC(=O)C4=CC=C(O)C=C4)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853035","spectrum_index":4244},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017285-06_C15H15NO3_9-Methoxy-2,2-dimethyl-2,6-dihydro-5H-pyrano[3,2-c]quinolin-5-one","exact_mass":257.105,"inchikey":"IXRKDGGGFFCRIR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":258.114746,"smiles":"COC1=CC\\2=C(NC(=O)C\\3=C2OC(C)(C)\\C=C3)C=C1","spectrum_id":"CCMSLIB00000853037","spectrum_index":4245},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169194-02_C25H28N4O4_3-[(2-Benzyl-9-hydroxy-3-oxo-2,3,9,9a-tetrahydro-1H-imidazo[1,2-a]indol-9-yl)methyl]-6-isopropyl-2,5-piperazinedione","exact_mass":448.211,"inchikey":"DBNSETUPZTZJFY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.222198,"smiles":"CC(C)C1NC(=O)C(CC2(O)C3NC(CC4=CC=CC=C4)C(=O)N3C5=C2C=CC=C5)NC1=O","spectrum_id":"CCMSLIB00000853039","spectrum_index":4246},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169194-02_C25H28N4O4_3-[(2-Benzyl-9-hydroxy-3-oxo-2,3,9,9a-tetrahydro-1H-imidazo[1,2-a]indol-9-yl)methyl]-6-isopropyl-2,5-piperazinedione","exact_mass":448.211,"inchikey":"DBNSETUPZTZJFY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.211517,"smiles":"CC(C)C1NC(=O)C(CC2(O)C3NC(CC4=CC=CC=C4)C(=O)N3C5=C2C=CC=C5)NC1=O","spectrum_id":"CCMSLIB00000853042","spectrum_index":4247},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347644-02_C21H30O13_(4aS,5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":490.169,"inchikey":"JNPXCTROEJQHKD-APAPHXOESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":491.179138,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](O[C@@H]3O\\C=C4/[C@@H](CCOC4=O)[C@H]3C=C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000853044","spectrum_index":4248},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347644-02_C21H30O13_(4aS,5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":490.169,"inchikey":"JNPXCTROEJQHKD-APAPHXOESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":513.160889,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](O[C@@H]3O\\C=C4/[C@@H](CCOC4=O)[C@H]3C=C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000853046","spectrum_index":4249},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347704-02_C24H32O7_2H-Oxireno[1,10a]phenanthro[3,2-b]furan-10(11bH)-one, 5,7-bis(acetyloxy)-3,3a,4,5,6,7,7a,7b,8,8a-decahydro-4,4,7a,11-tetramethyl-, (1aS,3aR,5S,7S,7aR,7bS,8aR,11bR)-","exact_mass":432.215,"inchikey":"YOELDOOOBJSHSZ-SRFZOMHBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.214844,"smiles":"CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@H](CC[C@@]34O[C@@H]3C/5=C(C)/C(=O)O[C@@H]5C[C@@H]24)C1(C)C","spectrum_id":"CCMSLIB00000853048","spectrum_index":4250},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347704-02_C24H32O7_2H-Oxireno[1,10a]phenanthro[3,2-b]furan-10(11bH)-one, 5,7-bis(acetyloxy)-3,3a,4,5,6,7,7a,7b,8,8a-decahydro-4,4,7a,11-tetramethyl-, (1aS,3aR,5S,7S,7aR,7bS,8aR,11bR)-","exact_mass":432.215,"inchikey":"YOELDOOOBJSHSZ-SRFZOMHBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.252289,"smiles":"CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@H](CC[C@@]34O[C@@H]3C/5=C(C)/C(=O)O[C@@H]5C[C@@H]24)C1(C)C","spectrum_id":"CCMSLIB00000853050","spectrum_index":4251},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381407-02_C15H20O4_1a,5,7a-Trimethyl-2,2a,6,6a,7a,8,9,9a-octahydrobisoxireno[4,5:8,9]cyclodeca[1,2-b]furan-4(1aH)-one","exact_mass":264.136,"inchikey":"CWAJEURPJYKGRL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.14563,"smiles":"CC\\1=C2/CC3OC3(C)CCC4OC4(C)CC2OC1=O","spectrum_id":"CCMSLIB00000853052","spectrum_index":4252},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385442-01_C13H12O4_3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-5H-furo[3,2-b]pyran-5-one","exact_mass":232.074,"inchikey":"ZKIRVBNLJKGIEM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.082565,"smiles":"OC1C2OC(=O)\\C=C/C2OC1C3=CC=CC=C3","spectrum_id":"CCMSLIB00000853054","spectrum_index":4253},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385442-01_C13H12O4_3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-5H-furo[3,2-b]pyran-5-one","exact_mass":232.074,"inchikey":"ZKIRVBNLJKGIEM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.064621,"smiles":"OC1C2OC(=O)\\C=C/C2OC1C3=CC=CC=C3","spectrum_id":"CCMSLIB00000853056","spectrum_index":4254},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385442-01_C13H12O4_3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-5H-furo[3,2-b]pyran-5-one","exact_mass":232.074,"inchikey":"ZKIRVBNLJKGIEM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.109711,"smiles":"OC1C2OC(=O)\\C=C/C2OC1C3=CC=CC=C3","spectrum_id":"CCMSLIB00000853058","spectrum_index":4255},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168877-02_C15H20O8_3-(4-Hydroxyphenyl)-3-oxopropyl beta-D-glucopyranoside","exact_mass":328.116,"inchikey":"NPAQHLFPEOMKAL-UXXRCYHCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.124603,"smiles":"OC[C@H]1O[C@@H](OCCC(=O)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853060","spectrum_index":4256},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168877-02_C15H20O8_3-(4-Hydroxyphenyl)-3-oxopropyl beta-D-glucopyranoside","exact_mass":328.116,"inchikey":"NPAQHLFPEOMKAL-UXXRCYHCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.106537,"smiles":"OC[C@H]1O[C@@H](OCCC(=O)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853062","spectrum_index":4257},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168965-02_C21H32O11_beta-D-Glucopyranoside, 3-(4-hydroxyphenyl)-1-methylpropyl 6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":460.194,"inchikey":"QJVVGCSWIOLQDG-PROUKMOUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":478.22998,"smiles":"CC(CCC1=CC=C(O)C=C1)O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000853064","spectrum_index":4258},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168965-02_C21H32O11_beta-D-Glucopyranoside, 3-(4-hydroxyphenyl)-1-methylpropyl 6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":460.194,"inchikey":"QJVVGCSWIOLQDG-PROUKMOUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":483.184998,"smiles":"CC(CCC1=CC=C(O)C=C1)O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000853066","spectrum_index":4259},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347403-02_C30H42O12_1,7-Bis(4-hydroxyphenyl)-3-heptanyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":594.268,"inchikey":"JLMGCBFIPZDHLZ-JKHMXVTDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.275696,"smiles":"OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCC3=CC=C(O)C=C3)CCC4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000853068","spectrum_index":4260},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347403-02_C30H42O12_1,7-Bis(4-hydroxyphenyl)-3-heptanyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":594.268,"inchikey":"JLMGCBFIPZDHLZ-JKHMXVTDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":612.302002,"smiles":"OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCC3=CC=C(O)C=C3)CCC4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000853070","spectrum_index":4261},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347403-02_C30H42O12_1,7-Bis(4-hydroxyphenyl)-3-heptanyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":594.268,"inchikey":"JLMGCBFIPZDHLZ-JKHMXVTDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":617.25708,"smiles":"OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCC3=CC=C(O)C=C3)CCC4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000853072","spectrum_index":4262},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384575-01_C19H28O7_4H-Phenanthro[10,1-bc]furan-4-one, tetradecahydro-1,2,6,9,10-pentahydroxy-3,10a,10c-trimethyl-7-methylene-, (1S,2R,3R,5aS,6R,9S,10S,10aS,10cR)-","exact_mass":368.184,"inchikey":"YEMMVDQCVABATJ-NNLGHBTGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.192444,"smiles":"C[C@H]1[C@@H](O)[C@H](O)C2[C@@]3(C)[C@H](O)[C@@H](O)CC(=C)C3[C@@H](O)[C@H]4OC(=O)C1[C@@]24C","spectrum_id":"CCMSLIB00000853074","spectrum_index":4263},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384580-01_C22H28O7_(10Z)-10-(Acetoxymethyl)-6-formyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate","exact_mass":404.184,"inchikey":"ALJXWCROGAMOBL-GEVOZVPXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":422.219025,"smiles":"CCC(C)C(=O)OC1C\\C(=C\\CC\\C(=C\\C2OC(=O)C(=C)C12)COC(C)=O)C=O","spectrum_id":"CCMSLIB00000853076","spectrum_index":4264},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384582-01_C29H46O11_","exact_mass":570.304,"inchikey":"APZDDWSEXQOLKA-DHDCSXOGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.301636,"smiles":"CC(/CCC1C(=C)C(CC2C(C)(C)C(O)CCC12C)OC3OC(CO)C(O)C(O)C3O)=C/COC(=O)CC(O)=O","spectrum_id":"CCMSLIB00000853080","spectrum_index":4265},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384582-01_C29H46O11_","exact_mass":570.304,"inchikey":"APZDDWSEXQOLKA-DHDCSXOGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":588.33844,"smiles":"CC(/CCC1C(=C)C(CC2C(C)(C)C(O)CCC12C)OC3OC(CO)C(O)C(O)C3O)=C/COC(=O)CC(O)=O","spectrum_id":"CCMSLIB00000853082","spectrum_index":4266},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384582-01_C29H46O11_","exact_mass":570.304,"inchikey":"APZDDWSEXQOLKA-DHDCSXOGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.293945,"smiles":"CC(/CCC1C(=C)C(CC2C(C)(C)C(O)CCC12C)OC3OC(CO)C(O)C(O)C3O)=C/COC(=O)CC(O)=O","spectrum_id":"CCMSLIB00000853084","spectrum_index":4267},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384583-01_C25H36O8_[(4R,5S,6R,6aS,7R,10aR,11bR)-5-Acetoxy-6-hydroxy-10a-methoxy-4,7,11b-trimethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-4-yl]methyl acetate","exact_mass":464.241,"inchikey":"HDDNZVWBRRAOGK-QVANJIRPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.249512,"smiles":"CO[C@@]12CC3[C@H]([C@@H](C)\\C1=C\\C(=O)O2)[C@@H](O)[C@@H](OC(C)=O)C4[C@@](C)(CCC[C@]34C)COC(C)=O","spectrum_id":"CCMSLIB00000853086","spectrum_index":4268},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384583-01_C25H36O8_[(4R,5S,6R,6aS,7R,10aR,11bR)-5-Acetoxy-6-hydroxy-10a-methoxy-4,7,11b-trimethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-4-yl]methyl acetate","exact_mass":464.241,"inchikey":"HDDNZVWBRRAOGK-QVANJIRPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":482.27597,"smiles":"CO[C@@]12CC3[C@H]([C@@H](C)\\C1=C\\C(=O)O2)[C@@H](O)[C@@H](OC(C)=O)C4[C@@](C)(CCC[C@]34C)COC(C)=O","spectrum_id":"CCMSLIB00000853088","spectrum_index":4269},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170013-03_C15H22O5_1H-3,9a-Methanocyclopent[c]oxocin-4-carboxylic acid, 3,4,5,6,6a,9-hexahydro-4-hydroxy-7-(1-hydroxy-1-methylethyl)-","exact_mass":282.147,"inchikey":"LKOCXGZSSYQSLN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.153473,"smiles":"CC(C)(O)\\C1=C\\CC23COC(C2)C(O)(CCC13)C(O)=O","spectrum_id":"CCMSLIB00000853090","spectrum_index":4270},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170013-03_C15H22O5_1H-3,9a-Methanocyclopent[c]oxocin-4-carboxylic acid, 3,4,5,6,6a,9-hexahydro-4-hydroxy-7-(1-hydroxy-1-methylethyl)-","exact_mass":282.147,"inchikey":"LKOCXGZSSYQSLN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.143005,"smiles":"CC(C)(O)\\C1=C\\CC23COC(C2)C(O)(CCC13)C(O)=O","spectrum_id":"CCMSLIB00000853092","spectrum_index":4271},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381073-01_C23H32O9_D-Glucitol, 1,5-anhydro-1-C-[2,6-dihydroxy-3-(methoxycarbonyl)-4-[(3Z,5Z)-3,5-nonadien-1-yl]phenyl]-, (1S)-","exact_mass":452.205,"inchikey":"GNMYZMZOACOUID-ZZQZINJVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.21109,"smiles":"CCC/C=C\\C=C/CCC1=CC(=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=C1C(=O)OC)O)O","spectrum_id":"CCMSLIB00000853094","spectrum_index":4272},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381073-01_C23H32O9_D-Glucitol, 1,5-anhydro-1-C-[2,6-dihydroxy-3-(methoxycarbonyl)-4-[(3Z,5Z)-3,5-nonadien-1-yl]phenyl]-, (1S)-","exact_mass":452.205,"inchikey":"GNMYZMZOACOUID-ZZQZINJVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.192078,"smiles":"CCC/C=C\\C=C/CCC1=CC(=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=C1C(=O)OC)O)O","spectrum_id":"CCMSLIB00000853096","spectrum_index":4273},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381076-01_C17H23NO7_4-[(2-{[(2-Ethyl-2,3-dihydroxybutanoyl)oxy]methyl}phenyl)amino]-4-oxobutanoic acid","exact_mass":353.147,"inchikey":"VDRDRMCAECTSGB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":354.154449,"smiles":"CCC(O)(C(C)O)C(=O)OCC1=C(NC(=O)CCC(O)=O)C=CC=C1","spectrum_id":"CCMSLIB00000853098","spectrum_index":4274},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381076-01_C17H23NO7_4-[(2-{[(2-Ethyl-2,3-dihydroxybutanoyl)oxy]methyl}phenyl)amino]-4-oxobutanoic acid","exact_mass":353.147,"inchikey":"VDRDRMCAECTSGB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":336.143555,"smiles":"CCC(O)(C(C)O)C(=O)OCC1=C(NC(=O)CCC(O)=O)C=CC=C1","spectrum_id":"CCMSLIB00000853099","spectrum_index":4275},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381076-01_C17H23NO7_4-[(2-{[(2-Ethyl-2,3-dihydroxybutanoyl)oxy]methyl}phenyl)amino]-4-oxobutanoic acid","exact_mass":353.147,"inchikey":"VDRDRMCAECTSGB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.136108,"smiles":"CCC(O)(C(C)O)C(=O)OCC1=C(NC(=O)CCC(O)=O)C=CC=C1","spectrum_id":"CCMSLIB00000853102","spectrum_index":4276},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381082-01_C15H17NO3_4,6-Octadienoic acid, 3-[(4-formylphenyl)amino]-, (4E,6E)-","exact_mass":259.121,"inchikey":"AUFWENFXRHUNPX-MQQKCMAXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":260.127441,"smiles":"C/C=C/C=C/C(CC(O)=O)NC1=CC=C(C=O)C=C1","spectrum_id":"CCMSLIB00000853103","spectrum_index":4277},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381086-01_C47H74O17_","exact_mass":910.493,"inchikey":"KHQMXKRETWUVJU-XCXJUXRBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":928.519287,"smiles":"CC1OC(OC2C(O)C(O)COC2OC3C(O)C(O)C(OC3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C(=O)C\\C7=C\\8CC(C)(C)CC(O)[C@]8(C)CC[C@@]67C)C4(C)C)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000853106","spectrum_index":4278},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381086-01_C47H74O17_","exact_mass":910.493,"inchikey":"KHQMXKRETWUVJU-XCXJUXRBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":933.475647,"smiles":"CC1OC(OC2C(O)C(O)COC2OC3C(O)C(O)C(OC3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C(=O)C\\C7=C\\8CC(C)(C)CC(O)[C@]8(C)CC[C@@]67C)C4(C)C)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000853108","spectrum_index":4279},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381088-01_C42H54O23_alpha-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-fructofuranosyl O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-","exact_mass":926.306,"inchikey":"RTQZACYXEASSEF-FTOGDFEBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":927.306274,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H](O)[C@H](O[C@H](CO)[C@H]3OC(=O)\\C=C\\C4=CC=C(O)C=C4)O[C@]5(CO)O[C@H](CO)[C@@H](O)[C@@H]5OC(=O)/C=C/C6=CC=C(O)C=C6)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853110","spectrum_index":4280},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381088-01_C42H54O23_alpha-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-fructofuranosyl O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-","exact_mass":926.306,"inchikey":"RTQZACYXEASSEF-FTOGDFEBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":949.288208,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H](O)[C@H](O[C@H](CO)[C@H]3OC(=O)\\C=C\\C4=CC=C(O)C=C4)O[C@]5(CO)O[C@H](CO)[C@@H](O)[C@@H]5OC(=O)/C=C/C6=CC=C(O)C=C6)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853112","spectrum_index":4281},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381089-01_C41H64O15_1-O-[(2beta,3beta,5xi,9xi,18xi)-2,23-Dihydroxy-28,29-dioxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":796.424,"inchikey":"XMIDHJQDTWKJIZ-ZEMGKMIXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":814.454163,"smiles":"CC1(CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C=O","spectrum_id":"CCMSLIB00000853113","spectrum_index":4282},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381089-01_C41H64O15_1-O-[(2beta,3beta,5xi,9xi,18xi)-2,23-Dihydroxy-28,29-dioxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":796.424,"inchikey":"XMIDHJQDTWKJIZ-ZEMGKMIXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":819.40802,"smiles":"CC1(CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C=O","spectrum_id":"CCMSLIB00000853116","spectrum_index":4283},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169049-03_C12H16O4_(3Z)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1(3H)-one","exact_mass":224.105,"inchikey":"DQNGMIQSXNGHOA-WTKPLQERSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":225.114227,"smiles":"CCC\\C=C\\1OC(=O)\\C2=C1CCC(O)C2O","spectrum_id":"CCMSLIB00000853118","spectrum_index":4284},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169678-02_C20H30O3_(5xi,9xi)-17-Hydroxykaur-15-en-19-oic acid","exact_mass":318.219,"inchikey":"XEQHVCXFKPCQNM-DPARUAOCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.228882,"smiles":"C[C@]12CCC[C@@](C)(C1CCC3\\4CC(CCC23)\\C(=C4)CO)C(O)=O","spectrum_id":"CCMSLIB00000853120","spectrum_index":4285},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380676-01_C24H30O12_(1S,4aS,5R,7S)-1-(beta-D-Glucopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl (2Z)-3-(4-hydroxyphenyl)acrylate","exact_mass":510.174,"inchikey":"AZKQDXZMKREFDY-FUCHTRHDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":533.166931,"smiles":"C[C@@]1(C[C@@H](O)[C@]2(O)\\C=C/O[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C12)OC(=O)\\C=C/C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000853121","spectrum_index":4286},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380682-01_C13H18O8_","exact_mass":302.1,"inchikey":"SJBWDSQCMPAGHA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.110413,"smiles":"COC1=CC(=CC(=C1)OC2OC(CO)C(O)C(O)C2O)O","spectrum_id":"CCMSLIB00000853124","spectrum_index":4287},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380682-01_C13H18O8_","exact_mass":302.1,"inchikey":"SJBWDSQCMPAGHA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.092377,"smiles":"COC1=CC(=CC(=C1)OC2OC(CO)C(O)C(O)C2O)O","spectrum_id":"CCMSLIB00000853126","spectrum_index":4288},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380684-01_C16H28O7_","exact_mass":332.184,"inchikey":"DIPALNDKWHCLEA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.194061,"smiles":"CC(C)C/1=C/CC(C)(O)C(C1)OC2OC(CO)C(O)C(O)C2O","spectrum_id":"CCMSLIB00000853128","spectrum_index":4289},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380686-01_C20H26O6_","exact_mass":362.173,"inchikey":"FSXIRVCJYLNVMM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.183746,"smiles":"CC1CCC\\23COC(=O)C2=C/C(O)CC3C1(C)CC/C4=C/C(=O)OC4O","spectrum_id":"CCMSLIB00000853130","spectrum_index":4290},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00042134-05_C11H13NO3_N-Acetylphenylalanine","exact_mass":207.09,"inchikey":"CBQJSKKFNMDLON-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":208.096512,"smiles":"CC(=O)NC(CC1=CC=CC=C1)C(O)=O","spectrum_id":"CCMSLIB00000853132","spectrum_index":4291},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169476-02_C22H28O12_2(3H)-Furanone, 4-[2-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-1-methylethyl]dihydro-4-hydroxy-","exact_mass":484.158,"inchikey":"YNPOIPFNQJKGQJ-SALKWGHLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.165039,"smiles":"CC(CO[C@@H]1O[C@H](COC(=O)\\C=C\\C2=CC(=C(O)C=C2)O)[C@@H](O)[C@H](O)[C@H]1O)C3(O)COC(=O)C3","spectrum_id":"CCMSLIB00000853134","spectrum_index":4292},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169476-02_C22H28O12_2(3H)-Furanone, 4-[2-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-1-methylethyl]dihydro-4-hydroxy-","exact_mass":484.158,"inchikey":"YNPOIPFNQJKGQJ-SALKWGHLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":507.146729,"smiles":"CC(CO[C@@H]1O[C@H](COC(=O)\\C=C\\C2=CC(=C(O)C=C2)O)[C@@H](O)[C@H](O)[C@H]1O)C3(O)COC(=O)C3","spectrum_id":"CCMSLIB00000853136","spectrum_index":4293},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169712-02_C15H20O8_4-Acetyl-2-methoxyphenyl beta-D-glucopyranoside","exact_mass":328.116,"inchikey":"QUOZWMJFTQUXON-UXXRCYHCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.104584,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(=C1)C(C)=O","spectrum_id":"CCMSLIB00000853138","spectrum_index":4294},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180281-02_C22H33NO5_D-Valine, N-acetyl-, (5aS,9S,9aS)-1,3,4,5,5a,6,7,8,9,9a-decahydro-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-9-yl ester","exact_mass":391.236,"inchikey":"NEMKJBVVPNFVCU-VDVULAQNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":392.24292,"smiles":"CC(C)[C@@H](NC(C)=O)C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC\\C3=C(\\COC3=O)[C@@]12C","spectrum_id":"CCMSLIB00000853140","spectrum_index":4295},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180281-02_C22H33NO5_D-Valine, N-acetyl-, (5aS,9S,9aS)-1,3,4,5,5a,6,7,8,9,9a-decahydro-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-9-yl ester","exact_mass":391.236,"inchikey":"NEMKJBVVPNFVCU-VDVULAQNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.269043,"smiles":"CC(C)[C@@H](NC(C)=O)C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC\\C3=C(\\COC3=O)[C@@]12C","spectrum_id":"CCMSLIB00000853141","spectrum_index":4296},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180281-02_C22H33NO5_D-Valine, N-acetyl-, (5aS,9S,9aS)-1,3,4,5,5a,6,7,8,9,9a-decahydro-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-9-yl ester","exact_mass":391.236,"inchikey":"NEMKJBVVPNFVCU-VDVULAQNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":414.224243,"smiles":"CC(C)[C@@H](NC(C)=O)C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC\\C3=C(\\COC3=O)[C@@]12C","spectrum_id":"CCMSLIB00000853144","spectrum_index":4297},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347535-02_C25H32O7_Furo[3,4-i]pyrano[3,2-a]xanthene-3,11-dione, 1,2,4a,5,6,6a,9,13,13a,13b-decahydro-4a-(1-hydroxy-1-methylethyl)-12-methoxy-6a,8,13b-trimethyl-, (6aS,13aR,13bR)-","exact_mass":444.215,"inchikey":"HXJGKPQYSSUARF-LWGJPETJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.221527,"smiles":"COC1=C2C[C@H]3[C@](C)(CCC4(OC(=O)CC[C@]34C)C(C)(C)O)OC2=C(C)C5=C1C(=O)OC5","spectrum_id":"CCMSLIB00000853145","spectrum_index":4298},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380290-01_C20H24O6_2-Butenoic acid, 2-methyl-, (3aR,4R,5R,6E,9Z,11aR)-2,3,3a,4,5,8,11,11a-octahydro-4-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxocyclodeca[b]furan-5-yl ester, (2Z)-","exact_mass":360.157,"inchikey":"BIHIEAXOTSXYAE-NAGHFMSUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.16449,"smiles":"C\\C=C(C)/C(=O)O[C@H]\\1[C@H](O)[C@@H]2[C@@H](C\\C(=C/C(=O)/C=C1C)C)OC(=O)C2=C","spectrum_id":"CCMSLIB00000853148","spectrum_index":4299},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380290-01_C20H24O6_2-Butenoic acid, 2-methyl-, (3aR,4R,5R,6E,9Z,11aR)-2,3,3a,4,5,8,11,11a-octahydro-4-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxocyclodeca[b]furan-5-yl ester, (2Z)-","exact_mass":360.157,"inchikey":"BIHIEAXOTSXYAE-NAGHFMSUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.19104,"smiles":"C\\C=C(C)/C(=O)O[C@H]\\1[C@H](O)[C@@H]2[C@@H](C\\C(=C/C(=O)/C=C1C)C)OC(=O)C2=C","spectrum_id":"CCMSLIB00000853150","spectrum_index":4300},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380296-01_C33H38N6O10_15-(2-Amino-2-oxoethyl)-10,11,23-trihydroxy-18-[(3-methyl-2-oxopentanoyl)amino]-9,14,17-trioxo-N-[(1Z)-1-propen-1-yl]-8,13,16-triazatetracyclo[18.3.1.0~2,7~.0~6,10~]tetracosa-1(24),2,4,6,20,22-hexaene-12-carboxamide","exact_mass":678.265,"inchikey":"ZIAXNZCTODBCKW-WCIBSUBMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":679.269836,"smiles":"CCC(C)C(=O)C(=O)NC1CC2=CC(=C(O)C=C2)C3=C4NC(=O)C(O)(C(O)C(NC(=O)C(CC(N)=O)NC1=O)C(=O)N\\C=C/C)C4=CC=C3","spectrum_id":"CCMSLIB00000853152","spectrum_index":4301},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380296-01_C33H38N6O10_15-(2-Amino-2-oxoethyl)-10,11,23-trihydroxy-18-[(3-methyl-2-oxopentanoyl)amino]-9,14,17-trioxo-N-[(1Z)-1-propen-1-yl]-8,13,16-triazatetracyclo[18.3.1.0~2,7~.0~6,10~]tetracosa-1(24),2,4,6,20,22-hexaene-12-carboxamide","exact_mass":678.265,"inchikey":"ZIAXNZCTODBCKW-WCIBSUBMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":701.251587,"smiles":"CCC(C)C(=O)C(=O)NC1CC2=CC(=C(O)C=C2)C3=C4NC(=O)C(O)(C(O)C(NC(=O)C(CC(N)=O)NC1=O)C(=O)N\\C=C/C)C4=CC=C3","spectrum_id":"CCMSLIB00000853154","spectrum_index":4302},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380160-01_C24H40O5_4-{[5-(7-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid","exact_mass":408.288,"inchikey":"RJFVWGBZBUWHAM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.29541,"smiles":"CC(CCOC(=O)CCC(O)=O)CCC1C(=C)CCC2C(C)(C)CC(O)CC12C","spectrum_id":"CCMSLIB00000853155","spectrum_index":4303},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380160-01_C24H40O5_4-{[5-(7-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid","exact_mass":408.288,"inchikey":"RJFVWGBZBUWHAM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.284485,"smiles":"CC(CCOC(=O)CCC(O)=O)CCC1C(=C)CCC2C(C)(C)CC(O)CC12C","spectrum_id":"CCMSLIB00000853158","spectrum_index":4304},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380160-01_C24H40O5_4-{[5-(7-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid","exact_mass":408.288,"inchikey":"RJFVWGBZBUWHAM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":426.320892,"smiles":"CC(CCOC(=O)CCC(O)=O)CCC1C(=C)CCC2C(C)(C)CC(O)CC12C","spectrum_id":"CCMSLIB00000853160","spectrum_index":4305},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380160-01_C24H40O5_4-{[5-(7-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid","exact_mass":408.288,"inchikey":"RJFVWGBZBUWHAM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.2771,"smiles":"CC(CCOC(=O)CCC(O)=O)CCC1C(=C)CCC2C(C)(C)CC(O)CC12C","spectrum_id":"CCMSLIB00000853162","spectrum_index":4306},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380161-01_C20H28O12_6-O-(Phenylacetyl)-alpha-D-glucopyranosyl alpha-D-glucopyranoside","exact_mass":460.158,"inchikey":"STSLPRRNSYCFTQ-JFRFVCMESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":478.191589,"smiles":"OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)CC3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853164","spectrum_index":4307},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380161-01_C20H28O12_6-O-(Phenylacetyl)-alpha-D-glucopyranosyl alpha-D-glucopyranoside","exact_mass":460.158,"inchikey":"STSLPRRNSYCFTQ-JFRFVCMESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":483.14679,"smiles":"OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)CC3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853166","spectrum_index":4308},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380162-01_C16H28O12_alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 3-(2-methylpropanoate)","exact_mass":412.158,"inchikey":"QVYMNCVNZVHQEC-HPBJJQKWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.165619,"smiles":"CC(C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000853168","spectrum_index":4309},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380162-01_C16H28O12_alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 3-(2-methylpropanoate)","exact_mass":412.158,"inchikey":"QVYMNCVNZVHQEC-HPBJJQKWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.147369,"smiles":"CC(C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000853170","spectrum_index":4310},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380166-01_C28H34O13_beta-D-Glucopyranoside, 4-[(1R,3aR,4S,6aS)-6a-(acetyloxy)tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl","exact_mass":578.2,"inchikey":"ARPKCZZZMDEOIF-FTCJPABESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":596.233337,"smiles":"COC1=C(O)C=CC(=C1)[C@H]2OC[C@@]3(OC(C)=O)[C@@H]2CO[C@@H]3C4=CC(=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4)OC","spectrum_id":"CCMSLIB00000853172","spectrum_index":4311},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380170-01_C19H26O11_5-{[4-(beta-D-Glucopyranosyloxy)benzyl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid","exact_mass":430.148,"inchikey":"ABVDJKDAAWCYKH-PNJCVKMMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.154968,"smiles":"CC(O)(CC(O)=O)CC(=O)OCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000853174","spectrum_index":4312},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380170-01_C19H26O11_5-{[4-(beta-D-Glucopyranosyloxy)benzyl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid","exact_mass":430.148,"inchikey":"ABVDJKDAAWCYKH-PNJCVKMMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.137024,"smiles":"CC(O)(CC(O)=O)CC(=O)OCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000853176","spectrum_index":4313},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380171-01_C20H28O11_Pentanedioic acid, 3-hydroxy-3-methyl-, [4-(beta-D-glucopyranosyloxy)phenyl]methyl methyl ester","exact_mass":444.163,"inchikey":"MTOYSSPTNNWDSB-ARQKJBCHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":462.197174,"smiles":"COC(=O)CC(C)(O)CC(=O)OCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000853178","spectrum_index":4314},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380171-01_C20H28O11_Pentanedioic acid, 3-hydroxy-3-methyl-, [4-(beta-D-glucopyranosyloxy)phenyl]methyl methyl ester","exact_mass":444.163,"inchikey":"MTOYSSPTNNWDSB-ARQKJBCHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":467.152313,"smiles":"COC(=O)CC(C)(O)CC(=O)OCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000853180","spectrum_index":4315},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380172-01_C16H24O5_2-Naphthaleneacetic acid, 1,2,3,4,4a,5,8,8a-octahydro-1,8-dihydroxy-alpha,4a,8-trimethyl-5-oxo-, methyl ester","exact_mass":296.162,"inchikey":"QTWFZVHPPOTAGN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.169922,"smiles":"COC(=O)C(C)C1CCC2(C)C(C1O)C(C)(O)\\C=C/C2=O","spectrum_id":"CCMSLIB00000853182","spectrum_index":4316},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380172-01_C16H24O5_2-Naphthaleneacetic acid, 1,2,3,4,4a,5,8,8a-octahydro-1,8-dihydroxy-alpha,4a,8-trimethyl-5-oxo-, methyl ester","exact_mass":296.162,"inchikey":"QTWFZVHPPOTAGN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.159363,"smiles":"COC(=O)C(C)C1CCC2(C)C(C1O)C(C)(O)\\C=C/C2=O","spectrum_id":"CCMSLIB00000853184","spectrum_index":4317},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380173-01_C25H28O12_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-6-hydroxy-1-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-7-methylene-","exact_mass":520.158,"inchikey":"DFXWNJDFYDFQCW-XUKYJPPUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.165222,"smiles":"OC1CC\\2C(C(O\\C=C2C(O)=O)O[C@@H]3O[C@H](COC(=O)/C=C/C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)C1=C","spectrum_id":"CCMSLIB00000853186","spectrum_index":4318},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380173-01_C25H28O12_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-6-hydroxy-1-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-7-methylene-","exact_mass":520.158,"inchikey":"DFXWNJDFYDFQCW-XUKYJPPUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.154602,"smiles":"OC1CC\\2C(C(O\\C=C2C(O)=O)O[C@@H]3O[C@H](COC(=O)/C=C/C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)C1=C","spectrum_id":"CCMSLIB00000853188","spectrum_index":4319},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168923-03_C27H34O11_beta-D-xylo-Hexopyranoside, 4-[(1S,3aR,4S,6aR)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl, (4xi)-","exact_mass":534.21,"inchikey":"KFFCKOBAHMGTMW-WNIRDIQNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":557.202637,"smiles":"COC1=C(OC)C=C(C=C1)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3C4=CC(=C(O[C@@H]5O[C@H](CO)C(O)[C@H](O)[C@H]5O)C=C4)OC","spectrum_id":"CCMSLIB00000853190","spectrum_index":4320},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168931-02_C15H18O3_Naphtho[1,2-b]furan-2,5(3H,4H)-dione, 3a,5a,6,7,8,9b-hexahydro-5a,9-dimethyl-3-methylene-, (3aS,5aS,9bR)-","exact_mass":246.126,"inchikey":"CPHPAWJXZHHPEN-PSOPSSQASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.13443,"smiles":"C\\C1=C2/[C@@H]3OC(=O)C(=C)[C@@H]3CC(=O)[C@@]2(C)CCC1","spectrum_id":"CCMSLIB00000853192","spectrum_index":4321},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168931-02_C15H18O3_Naphtho[1,2-b]furan-2,5(3H,4H)-dione, 3a,5a,6,7,8,9b-hexahydro-5a,9-dimethyl-3-methylene-, (3aS,5aS,9bR)-","exact_mass":246.126,"inchikey":"CPHPAWJXZHHPEN-PSOPSSQASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.116516,"smiles":"C\\C1=C2/[C@@H]3OC(=O)C(=C)[C@@H]3CC(=O)[C@@]2(C)CCC1","spectrum_id":"CCMSLIB00000853194","spectrum_index":4322},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169621-02_C14H14O4_2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]-, (5S,6S)-","exact_mass":246.089,"inchikey":"UDDKTZFKFIZQAW-XNHDODSBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.098297,"smiles":"CO\\C1=C\\C(=O)O[C@@H](\\C=C\\C2=CC=CC=C2)[C@@H]1O","spectrum_id":"CCMSLIB00000853195","spectrum_index":4323},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169621-02_C14H14O4_2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]-, (5S,6S)-","exact_mass":246.089,"inchikey":"UDDKTZFKFIZQAW-XNHDODSBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.087418,"smiles":"CO\\C1=C\\C(=O)O[C@@H](\\C=C\\C2=CC=CC=C2)[C@@H]1O","spectrum_id":"CCMSLIB00000853197","spectrum_index":4324},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169621-02_C14H14O4_2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]-, (5S,6S)-","exact_mass":246.089,"inchikey":"UDDKTZFKFIZQAW-XNHDODSBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.08078,"smiles":"CO\\C1=C\\C(=O)O[C@@H](\\C=C\\C2=CC=CC=C2)[C@@H]1O","spectrum_id":"CCMSLIB00000853200","spectrum_index":4325},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179585-04_C35H42N2O9_Cinnaloid","exact_mass":634.289,"inchikey":"SZLZWPPUNLXJEA-QEGASFHISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":635.299316,"smiles":"CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([NH]C5=C4C=CC(=C5)OC)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)\\C=C\\C6=CC(=C(OC)C(=C6)OC)OC","spectrum_id":"CCMSLIB00000853201","spectrum_index":4326},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180818-02_C15H20O3_Azuleno[6,5-b]furan-2,5-dione, decahydro-4a,8-dimethyl-3-methylene-, (3aR,4aS,7aS,8R,9aS)-","exact_mass":248.141,"inchikey":"DCKYPAZZUYXYTC-SCGWIAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.150177,"smiles":"C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]3(C)[C@H]1CCC3=O","spectrum_id":"CCMSLIB00000853204","spectrum_index":4327},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180829-02_C29H44O12_Card-20(22)-enolide, 3-[(6-deoxy-beta-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, (1beta,3beta,5beta,8xi,9xi,11alpha)-","exact_mass":584.283,"inchikey":"LPMXVESGRSUGHW-RSTGETGLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":585.292908,"smiles":"C[C@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)C4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)C4CC[C@]3(O)C2)\\C6=C\\C(=O)OC6)[C@@H](O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853206","spectrum_index":4328},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180829-02_C29H44O12_Card-20(22)-enolide, 3-[(6-deoxy-beta-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, (1beta,3beta,5beta,8xi,9xi,11alpha)-","exact_mass":584.283,"inchikey":"LPMXVESGRSUGHW-RSTGETGLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":607.273926,"smiles":"C[C@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)C4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)C4CC[C@]3(O)C2)\\C6=C\\C(=O)OC6)[C@@H](O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853208","spectrum_index":4329},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385355-01_C20H26N2O2_(8alpha,9R)-6'-Methoxy-10,11-dihydrocinchonan-9-ol","exact_mass":326.199,"inchikey":"LJOQGZACKSYWCH-WZBLMQSHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.209503,"smiles":"CC[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@H](O)C3=C4C=C(OC)C=CC4=NC=C3","spectrum_id":"CCMSLIB00000853212","spectrum_index":4330},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385735-01_C45H68O14_","exact_mass":832.461,"inchikey":"VQJMXGXETFHHGG-FWSOMWAYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":850.499573,"smiles":"COC1CC(OC(C)C1OC2OC(C)C(O)C(OC)C2O)OC3CCC4(C)C(CCC56OC57CCC(C(C)=O)C7(C)C(OC(=O)\\C(C)=C\\C)C(OC(=O)\\C(C)=C\\C)C46)C3","spectrum_id":"CCMSLIB00000853214","spectrum_index":4331},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385735-01_C45H68O14_","exact_mass":832.461,"inchikey":"VQJMXGXETFHHGG-FWSOMWAYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":855.453369,"smiles":"COC1CC(OC(C)C1OC2OC(C)C(O)C(OC)C2O)OC3CCC4(C)C(CCC56OC57CCC(C(C)=O)C7(C)C(OC(=O)\\C(C)=C\\C)C(OC(=O)\\C(C)=C\\C)C46)C3","spectrum_id":"CCMSLIB00000853216","spectrum_index":4332},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385737-01_C46H74O17_","exact_mass":898.493,"inchikey":"GEXPREATDMYGJF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":899.503723,"smiles":"CC1(C)CCC2(CCC3(C)\\C(=C/CC4C5(C)CC(O)C(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC8OCC(O)C(O)C8O","spectrum_id":"CCMSLIB00000853218","spectrum_index":4333},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385738-01_C60H96O30_6-Deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-[beta-D-glucopyranosyl-(1->2)]-1-O-[(2beta,3beta,5xi,9xi)-3-(beta-D-glucopyranosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":1296.6,"inchikey":"DBBUWABNIAWDBM-MZVSTLSMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1297.602661,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C/6=C/CC7[C@@]8(C)C[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@](C)(C8CC[C@@]7(C)[C@]6(C)CC5)C(O)=O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853220","spectrum_index":4334},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385739-01_C48H76O20_(3beta,5xi,9xi,22beta)-22,24,29-Trihydroxy-29-oxoolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid","exact_mass":972.493,"inchikey":"JCHUCLMYSKXMOY-SACAHBDCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":973.501587,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7[C@@H]8CC(C)(C[C@@H](O)[C@]8(C)CC[C@@]67C)C(O)=O)[C@@]4(C)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853221","spectrum_index":4335},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385739-01_C48H76O20_(3beta,5xi,9xi,22beta)-22,24,29-Trihydroxy-29-oxoolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid","exact_mass":972.493,"inchikey":"JCHUCLMYSKXMOY-SACAHBDCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":995.484985,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7[C@@H]8CC(C)(C[C@@H](O)[C@]8(C)CC[C@@]67C)C(O)=O)[C@@]4(C)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853224","spectrum_index":4336},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169094-03_C30H38O15_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[6-deoxy-3-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl","exact_mass":638.221,"inchikey":"VKPCNUJDGKJSIE-HUSRUCGJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":639.225281,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](O)[C@H](OC(=O)\\C=C\\C6=CC=CC=C6)[C@H]1O","spectrum_id":"CCMSLIB00000853226","spectrum_index":4337},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169094-03_C30H38O15_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[6-deoxy-3-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl","exact_mass":638.221,"inchikey":"VKPCNUJDGKJSIE-HUSRUCGJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":661.206909,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](O)[C@H](OC(=O)\\C=C\\C6=CC=CC=C6)[C@H]1O","spectrum_id":"CCMSLIB00000853228","spectrum_index":4338},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179885-03_C36H52O12_(4R,9beta,16alpha,23E)-16,20,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-2-yl beta-D-glucopyranoside","exact_mass":676.346,"inchikey":"LIIOJBIJVPGVGO-JZZAZZIQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":699.331116,"smiles":"CC(C)(O)\\C=C\\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C\\C=C4/[C@@H](/C=C(/O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000853230","spectrum_index":4339},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347702-02_C31H42O17_2-(4-Hydroxyphenyl)ethyl 6-O-{[(2S,3Z,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetyl}-beta-D-glucopyranoside","exact_mass":686.242,"inchikey":"STKUCSFEBXPTAY-GSUVRYNNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":704.272278,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\\C(=C/C)[C@@H]1CC(=O)OC[C@H]3O[C@@H](OCCC4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]3O","spectrum_id":"CCMSLIB00000853231","spectrum_index":4340},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347702-02_C31H42O17_2-(4-Hydroxyphenyl)ethyl 6-O-{[(2S,3Z,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetyl}-beta-D-glucopyranoside","exact_mass":686.242,"inchikey":"STKUCSFEBXPTAY-GSUVRYNNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":709.226929,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\\C(=C/C)[C@@H]1CC(=O)OC[C@H]3O[C@@H](OCCC4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]3O","spectrum_id":"CCMSLIB00000853234","spectrum_index":4341},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384928-01_C22H32O5_(2E)-3-(Acetoxymethyl)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-pentenoic acid","exact_mass":376.225,"inchikey":"UTRJNVUJZHUXNP-VQCNVNLLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.231995,"smiles":"CC(=O)OCC(/CC[C@@H]1\\C(=C/C(=O)[C@@H]2C(C)(C)CCC[C@@]12C)C)=C/C(O)=O","spectrum_id":"CCMSLIB00000853236","spectrum_index":4342},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384928-01_C22H32O5_(2E)-3-(Acetoxymethyl)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-pentenoic acid","exact_mass":376.225,"inchikey":"UTRJNVUJZHUXNP-VQCNVNLLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.21347,"smiles":"CC(=O)OCC(/CC[C@@H]1\\C(=C/C(=O)[C@@H]2C(C)(C)CCC[C@@]12C)C)=C/C(O)=O","spectrum_id":"CCMSLIB00000853238","spectrum_index":4343},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384932-01_C14H18O6_Heptonic acid, 4,7-anhydro-2-deoxy-7-C-phenyl-, methyl ester","exact_mass":282.11,"inchikey":"YCKKAXDZPAQYOF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.11731,"smiles":"COC(=O)CC(O)C1OC(C(O)C1O)C2=CC=CC=C2","spectrum_id":"CCMSLIB00000853239","spectrum_index":4344},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384932-01_C14H18O6_Heptonic acid, 4,7-anhydro-2-deoxy-7-C-phenyl-, methyl ester","exact_mass":282.11,"inchikey":"YCKKAXDZPAQYOF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.099152,"smiles":"COC(=O)CC(O)C1OC(C(O)C1O)C2=CC=CC=C2","spectrum_id":"CCMSLIB00000853242","spectrum_index":4345},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169419-02_C20H28O2_(5xi)-Abieta-8,11,13-trien-18-oic acid","exact_mass":300.209,"inchikey":"NFWKVWVWBFBAOV-IPNZSQQUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.216431,"smiles":"CC(C)C1=CC2=C(C=C1)[C@@]3(C)CCC[C@](C)(C3CC2)C(O)=O","spectrum_id":"CCMSLIB00000853244","spectrum_index":4346},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169449-02_C15H22O8_beta-D-Glucopyranoside, 4-(2-hydroxyethyl)-2-methoxyphenyl","exact_mass":330.131,"inchikey":"ZZDVZVBAZHPHLY-UXXRCYHCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":348.165131,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(=C1)CCO","spectrum_id":"CCMSLIB00000853246","spectrum_index":4347},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169449-02_C15H22O8_beta-D-Glucopyranoside, 4-(2-hydroxyethyl)-2-methoxyphenyl","exact_mass":330.131,"inchikey":"ZZDVZVBAZHPHLY-UXXRCYHCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.120544,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(=C1)CCO","spectrum_id":"CCMSLIB00000853248","spectrum_index":4348},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347641-02_C25H38O12_(1R,2R,3R,3aS,5aS,6R,7R,10R,10aR,10cR)-1,2,6,7-Tetrahydroxy-3,7,10a,10c-tetramethyl-4-oxo-2,3,3a,4,5a,6,6a,7,10,10a,10b,10c-dodecahydro-1H-phenanthro[10,1-bc]furan-10-yl beta-D-glucopyranoside","exact_mass":530.236,"inchikey":"TYXFVKGQQWDJKA-YFXVJPQZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.223877,"smiles":"C[C@H]1[C@@H](O)[C@H](O)C2[C@@]3(C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)\\C=C/[C@@](C)(O)C3[C@@H](O)[C@H]5OC(=O)[C@@H]1[C@@]25C","spectrum_id":"CCMSLIB00000853249","spectrum_index":4349},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347651-02_C20H26O3_1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-9-oxo-","exact_mass":314.188,"inchikey":"MSWJSDLNPCSSNW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.195831,"smiles":"CC(C)C1=CC=C2C(=C1)C(=O)CC3C(C)(CCCC23C)C(O)=O","spectrum_id":"CCMSLIB00000853252","spectrum_index":4350},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385278-01_C17H21NO3_3a-(3,4-Dimethoxyphenyl)-1-methyl-1,2,3,3a,4,5-hexahydro-6H-indol-6-one","exact_mass":287.152,"inchikey":"XPUOZJJNPJXFTD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.15979,"smiles":"COC1=C(OC)C=C(C=C1)C\\23CCN(C)C2=C/C(=O)CC3","spectrum_id":"CCMSLIB00000853254","spectrum_index":4351},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385278-01_C17H21NO3_3a-(3,4-Dimethoxyphenyl)-1-methyl-1,2,3,3a,4,5-hexahydro-6H-indol-6-one","exact_mass":287.152,"inchikey":"XPUOZJJNPJXFTD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.186157,"smiles":"COC1=C(OC)C=C(C=C1)C\\23CCN(C)C2=C/C(=O)CC3","spectrum_id":"CCMSLIB00000853255","spectrum_index":4352},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385278-01_C17H21NO3_3a-(3,4-Dimethoxyphenyl)-1-methyl-1,2,3,3a,4,5-hexahydro-6H-indol-6-one","exact_mass":287.152,"inchikey":"XPUOZJJNPJXFTD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.141357,"smiles":"COC1=C(OC)C=C(C=C1)C\\23CCN(C)C2=C/C(=O)CC3","spectrum_id":"CCMSLIB00000853257","spectrum_index":4353},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385280-01_C14H19NO7_(2R)-2-(beta-D-Glucopyranosyloxy)-2-phenylacetamide","exact_mass":313.116,"inchikey":"SKIWWRXWLIRPOP-SGYGPSCOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.123657,"smiles":"NC(=O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC=CC=C2","spectrum_id":"CCMSLIB00000853259","spectrum_index":4354},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385280-01_C14H19NO7_(2R)-2-(beta-D-Glucopyranosyloxy)-2-phenylacetamide","exact_mass":313.116,"inchikey":"SKIWWRXWLIRPOP-SGYGPSCOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":336.105347,"smiles":"NC(=O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC=CC=C2","spectrum_id":"CCMSLIB00000853262","spectrum_index":4355},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385281-01_C33H42O10_1H-Cyclopent[a]-s-indacen-1-one, 4,8,9a-tris(acetyloxy)-7-(benzoyloxy)tetradecahydro-4a-hydroxy-2,2,3b,6,8a-pentamethyl-, (3aS,3bS,4R,4aR,6S,7S,7aR,8R,8aR,9aS)-","exact_mass":598.278,"inchikey":"IEQTVHJLWRGNIY-ANWQMKQLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":599.283447,"smiles":"C[C@H]1C[C@]2(O)[C@H](OC(C)=O)[C@@]3(C)[C@@H]4CC(C)(C)C(=O)[C@@]4(C[C@@]3(C)[C@H](OC(C)=O)[C@H]2[C@H]1OC(=O)C5=CC=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00000853264","spectrum_index":4356},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169718-03_C36H56O12_beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,9xi)-2,3,19,24-tetrahydroxy-24,28-dioxours-12-en-28-yl]-","exact_mass":680.377,"inchikey":"YXSQSVWHKZZWDD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":703.365417,"smiles":"CC1CCC2(CCC3(C)\\C(=C/CC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1(C)O)C(=O)OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000853266","spectrum_index":4357},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347499-02_C50H65NO13_(7E,11E)-17-({4,6-Dideoxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)amino]-3-C-methylhexopyranosyl}oxy)-27-hydroxy-3,6,8,12,14,20,22-heptamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0~1,6~.0~13,22~.0~16,21~]heptacosa-4,7,11,14,24(27)-pentaene-4-carboxylic acid","exact_mass":887.446,"inchikey":"KANPTSQTXUUWJP-WZXLXTKGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":888.449707,"smiles":"COC1=CC(=C(C(=C1)O)C(=O)NC2C(C)OC(OC3CCC(C)C4C3\\C=C(\\C)C5\\C(=C\\CC\\C(=C\\C6(C)\\C=C(/C(C)CC6\\7OC(=O)\\C(=C7O)C(=O)C45C)C(O)=O)C)C)C(O)C2(C)O)C","spectrum_id":"CCMSLIB00000853267","spectrum_index":4358},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347524-02_C23H34O15_Cyclopenta[c]pyran-4-carboxylic acid, 1-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7aS)-","exact_mass":550.19,"inchikey":"FYZYXYLPBWLLGI-AUOPOVQUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.197693,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]\\4[C@@H]1C\\C=C4CO","spectrum_id":"CCMSLIB00000853270","spectrum_index":4359},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347524-02_C23H34O15_Cyclopenta[c]pyran-4-carboxylic acid, 1-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7aS)-","exact_mass":550.19,"inchikey":"FYZYXYLPBWLLGI-AUOPOVQUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":573.179565,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]\\4[C@@H]1C\\C=C4CO","spectrum_id":"CCMSLIB00000853272","spectrum_index":4360},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347677-02_C18H26N2O8_1,5-Dideoxy-3-C-({[2-(gamma-glutamylamino)benzyl]oxy}carbonyl)-L-arabinitol","exact_mass":398.169,"inchikey":"NFINSJKQOBJWEB-WAQLSPKVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.177704,"smiles":"C[C@H](O)C(O)([C@H](C)O)C(=O)OCC1=CC=CC=C1NC(=O)CCC(N)C(O)=O","spectrum_id":"CCMSLIB00000853274","spectrum_index":4361},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347677-02_C18H26N2O8_1,5-Dideoxy-3-C-({[2-(gamma-glutamylamino)benzyl]oxy}carbonyl)-L-arabinitol","exact_mass":398.169,"inchikey":"NFINSJKQOBJWEB-WAQLSPKVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.167053,"smiles":"C[C@H](O)C(O)([C@H](C)O)C(=O)OCC1=CC=CC=C1NC(=O)CCC(N)C(O)=O","spectrum_id":"CCMSLIB00000853275","spectrum_index":4362},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347680-02_C26H34O6_Androsta-11,15-diene-14-carboxylic acid, 3,19-epoxy-15-hydroxy-4,4,8,12,16-pentamethyl-17,19-dioxo-, methyl ester","exact_mass":442.236,"inchikey":"LISLGICORSJAKO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.244049,"smiles":"COC(=O)C12\\C(=C(\\C)C(=O)C1(C)\\C(=C/C3C2(C)CCC4C(C)(C)C5CCC34C(=O)O5)C)O","spectrum_id":"CCMSLIB00000853278","spectrum_index":4363},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384480-02_C16H20O6_1H-2-Benzoxacyclododecin-1,9(10H)-dione, 3,4,5,6,7,8-hexahydro-7,12,14-trihydroxy-3-methyl-","exact_mass":308.126,"inchikey":"TXFYYWHRTDECTR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.134552,"smiles":"CC1CCCC(O)CC(=O)CC2=CC(=CC(=C2C(=O)O1)O)O","spectrum_id":"CCMSLIB00000853280","spectrum_index":4364},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384480-02_C16H20O6_1H-2-Benzoxacyclododecin-1,9(10H)-dione, 3,4,5,6,7,8-hexahydro-7,12,14-trihydroxy-3-methyl-","exact_mass":308.126,"inchikey":"TXFYYWHRTDECTR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.124268,"smiles":"CC1CCCC(O)CC(=O)CC2=CC(=CC(=C2C(=O)O1)O)O","spectrum_id":"CCMSLIB00000853282","spectrum_index":4365},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384480-02_C16H20O6_1H-2-Benzoxacyclododecin-1,9(10H)-dione, 3,4,5,6,7,8-hexahydro-7,12,14-trihydroxy-3-methyl-","exact_mass":308.126,"inchikey":"TXFYYWHRTDECTR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":350.161194,"smiles":"CC1CCCC(O)CC(=O)CC2=CC(=CC(=C2C(=O)O1)O)O","spectrum_id":"CCMSLIB00000853284","spectrum_index":4366},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384560-01_C16H24O9_beta-D-Glucopyranoside, 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propyl","exact_mass":360.142,"inchikey":"REHZVRNVHQFBAF-YLHHEPAUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.151001,"smiles":"COC1=C(O)C=CC(=C1)C(CO)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000853286","spectrum_index":4367},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384560-01_C16H24O9_beta-D-Glucopyranoside, 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propyl","exact_mass":360.142,"inchikey":"REHZVRNVHQFBAF-YLHHEPAUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.132355,"smiles":"COC1=C(O)C=CC(=C1)C(CO)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000853288","spectrum_index":4368},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384564-01_C22H30O14_3-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-fructofuranosyl alpha-D-glucopyranoside","exact_mass":518.164,"inchikey":"ZPEADZHVGOCGKH-YQTDNFGYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":541.154297,"smiles":"COC1=C(O)C=CC(=C1)/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000853290","spectrum_index":4369},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386085-01_C32H44O10_","exact_mass":588.293,"inchikey":"MPCIDUFOTGXABA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":589.302734,"smiles":"CC1OC\\23C/4=C(/C(O)C5C(C)(CCC6OC(CC(OC(C)=O)C56C)C(C)(C)O)O4)C(=O)\\C=C2C(C)C(OC(C)=O)C13C","spectrum_id":"CCMSLIB00000853292","spectrum_index":4370},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386085-01_C32H44O10_","exact_mass":588.293,"inchikey":"MPCIDUFOTGXABA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":571.29187,"smiles":"CC1OC\\23C/4=C(/C(O)C5C(C)(CCC6OC(CC(OC(C)=O)C56C)C(C)(C)O)O4)C(=O)\\C=C2C(C)C(OC(C)=O)C13C","spectrum_id":"CCMSLIB00000853293","spectrum_index":4371},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386085-01_C32H44O10_","exact_mass":588.293,"inchikey":"MPCIDUFOTGXABA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":606.329407,"smiles":"CC1OC\\23C/4=C(/C(O)C5C(C)(CCC6OC(CC(OC(C)=O)C56C)C(C)(C)O)O4)C(=O)\\C=C2C(C)C(OC(C)=O)C13C","spectrum_id":"CCMSLIB00000853295","spectrum_index":4372},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386085-01_C32H44O10_","exact_mass":588.293,"inchikey":"MPCIDUFOTGXABA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.283997,"smiles":"CC1OC\\23C/4=C(/C(O)C5C(C)(CCC6OC(CC(OC(C)=O)C56C)C(C)(C)O)O4)C(=O)\\C=C2C(C)C(OC(C)=O)C13C","spectrum_id":"CCMSLIB00000853298","spectrum_index":4373},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386087-01_C43H60N2O12_(2S)-N-[(2E,4E,6S,7R)-7-{(3S,4R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3E)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide","exact_mass":796.415,"inchikey":"HMSYAPGFKGSXAJ-OSRRFEHWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":797.421326,"smiles":"CC[C@H](C(=O)NC/C=C/C=C(C)/[C@@H](OC)[C@@H](C)C1OC(\\C=C\\C=C\\C=C(C)\\C(=O)\\C2=C(O)\\C=C/NC2=O)[C@H](O)[C@@H]1O)[C@@]3(O)O[C@@H](\\C=C\\C=C\\C)C(C)(C)[C@@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000853299","spectrum_index":4374},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386087-01_C43H60N2O12_(2S)-N-[(2E,4E,6S,7R)-7-{(3S,4R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3E)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide","exact_mass":796.415,"inchikey":"HMSYAPGFKGSXAJ-OSRRFEHWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":779.410584,"smiles":"CC[C@H](C(=O)NC/C=C/C=C(C)/[C@@H](OC)[C@@H](C)C1OC(\\C=C\\C=C\\C=C(C)\\C(=O)\\C2=C(O)\\C=C/NC2=O)[C@H](O)[C@@H]1O)[C@@]3(O)O[C@@H](\\C=C\\C=C\\C)C(C)(C)[C@@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000853302","spectrum_index":4375},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386089-01_C21H28O5_","exact_mass":360.194,"inchikey":"UHNRJNAOOCIDDJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.203186,"smiles":"CC1CC(=O)C/2=C(O1)/OC3(C)CCC4C(C)(C)C5OC5C(=O)C4(C)C3C2","spectrum_id":"CCMSLIB00000853304","spectrum_index":4376},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386089-01_C21H28O5_","exact_mass":360.194,"inchikey":"UHNRJNAOOCIDDJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.185577,"smiles":"CC1CC(=O)C/2=C(O1)/OC3(C)CCC4C(C)(C)C5OC5C(=O)C4(C)C3C2","spectrum_id":"CCMSLIB00000853306","spectrum_index":4377},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386090-01_C23H32N2O3_","exact_mass":384.241,"inchikey":"SDIGNZADDDFEPI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.251099,"smiles":"CC1CCC2C(C)(C)C(O)CCC2(C)C13CC4=C(O3)C5=C(CNC5=N)C=C4O","spectrum_id":"CCMSLIB00000853307","spectrum_index":4378},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386092-01_C11H18N2O4_","exact_mass":242.127,"inchikey":"DMQLFAQJZUWLKV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":243.135345,"smiles":"CC(=O)N(O)CCCCCN1C(=O)CCC1=O","spectrum_id":"CCMSLIB00000853310","spectrum_index":4379},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386092-01_C11H18N2O4_","exact_mass":242.127,"inchikey":"DMQLFAQJZUWLKV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.117523,"smiles":"CC(=O)N(O)CCCCCN1C(=O)CCC1=O","spectrum_id":"CCMSLIB00000853312","spectrum_index":4380},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386093-01_C34H43N3O6_","exact_mass":589.315,"inchikey":"FOADMCJCIRJHTO-XASRFGTQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":590.324097,"smiles":"CC\\1C/C=C/C2C(O)\\C(=C(C)/C3C(CC4=C[NH]C5=C4C=CC=C5)NC(=O)C23C(=O)CC(NC(C)=O)C(O)C(O)\\C(=C1)C)C","spectrum_id":"CCMSLIB00000853313","spectrum_index":4381},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386098-01_C21H22O6_11-Hydroxy-3-[(1E)-3-hydroxy-3-methyl-1-buten-1-yl]-4-methoxy-9-methyl-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one","exact_mass":370.142,"inchikey":"CDCIKAPGWWMGGE-BQYQJAHWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.140656,"smiles":"COC1=C2C(=O)OCC3=C(OC2=CC=C1\\C=C\\C(C)(C)O)C(=CC(=C3)C)O","spectrum_id":"CCMSLIB00000853316","spectrum_index":4382},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386103-01_C19H20O3_","exact_mass":296.141,"inchikey":"SEKUOZUOBHHCMJ-YTXTXJHMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.150665,"smiles":"C/C=C/C=C/C1=CC2=C(O1)C=C(CC=C(C)C)C(=C2C=O)O","spectrum_id":"CCMSLIB00000853317","spectrum_index":4383},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169059-03_C21H24N2O4_Spiro[3H-indole-3,6'(10'H)-[1H]pyrano[3,4-f]indolizine]-4'-carboxylic acid, 1,2,4'a,5',5'a,7',8',10'a-octahydro-1'-methyl-2-oxo-, methyl ester","exact_mass":368.174,"inchikey":"JMIAZDVHNCCPDM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.180817,"smiles":"COC(=O)\\C1=C\\OC(C)C2CN3CCC4(C3CC12)C(=O)NC5=C4C=CC=C5","spectrum_id":"CCMSLIB00000853319","spectrum_index":4384},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384522-02_C20H22O6_2-Butenoic acid, 2-methyl-, (3aR,4S,11E,12aR)-2,3,3a,4,5,9,10,12a-octahydro-11-methyl-3-methylene-2,7-dioxo-7H-9,6-methenofuro[2,3-f]oxacycloundecin-4-yl ester, (2Z)-","exact_mass":358.142,"inchikey":"FTPHYXGWMIZVMP-UGZAWPFQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.149567,"smiles":"C\\C=C(C)/C(=O)O[C@H]1C/C2=C/C(C\\C(=C\\[C@H]3OC(=O)C(=C)[C@H]13)C)OC2=O","spectrum_id":"CCMSLIB00000853322","spectrum_index":4385},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385177-01_C22H34O5_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1S,4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydro-2-(hydroxymethyl)-5,5,8a-trimethyl-1-naphthalenyl]-, (2E)-","exact_mass":378.241,"inchikey":"OEWYXUOBTOXNMX-VBIQWIQDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.237457,"smiles":"CC(=O)OCC(/CC[C@@H]1\\C(=C/C[C@@H]2C(C)(C)CCC[C@@]12C)CO)=C/C(O)=O","spectrum_id":"CCMSLIB00000853324","spectrum_index":4386},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385182-01_C21H24N2O2_Ibogamine-18-carboxylic acid, 3,4-didehydro-, methyl ester, (5beta,18beta)-","exact_mass":336.184,"inchikey":"CMKFQVZJOWHHDV-QYWJTTNJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.191315,"smiles":"CCC/1=C/C2C[N@]3CCC4=C([NH]C5=C4C=CC=C5)[C@@](C2)([C@@H]13)C(=O)OC","spectrum_id":"CCMSLIB00000853326","spectrum_index":4387},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169584-03_C28H38O7_Methyl (3beta,5beta,8alpha,9beta,10alpha,13alpha)-3-acetoxy-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-ene-14-carboxylate","exact_mass":486.262,"inchikey":"GRBXNADBNJGZRK-GJEDHNSHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.269592,"smiles":"COC(=O)[C@@]12C(=O)C(C)C(=O)[C@]1(C)\\C(=C/[C@@H]3[C@]2(C)CC[C@@H]4C(C)(C)[C@H](CC[C@@]34C=O)OC(C)=O)C","spectrum_id":"CCMSLIB00000853328","spectrum_index":4388},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169855-03_C20H22N2O10_2,4(1H,3H)-Pyrimidinedione, 1-[2-O-acetyl-3-O-(4-hydroxy-2-methoxy-6-methylbenzoyl)pentofuranosyl]-","exact_mass":450.127,"inchikey":"ULPUBSPPYRXUOZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.135529,"smiles":"COC1=C(C(=CC(=C1)O)C)C(=O)OC2C(CO)OC(C2OC(C)=O)N3\\C=C/C(=O)NC3=O","spectrum_id":"CCMSLIB00000853330","spectrum_index":4389},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179952-02_C16H20O5_2H-3-Benzoxacyclododecin-2,10(1H)-dione, 4,5,6,7,8,9-hexahydro-11,13-dihydroxy-4-methyl-","exact_mass":292.131,"inchikey":"VDUIGYAPSXCJFC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.139191,"smiles":"CC1CCCCCC(=O)C2=C(CC(=O)O1)C=C(O)C=C2O","spectrum_id":"CCMSLIB00000853332","spectrum_index":4390},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180737-03_C21H24N2O10_Uridine, 2'-acetate 3'-(2,4-dimethoxy-6-methylbenzoate)","exact_mass":464.143,"inchikey":"MAWCJLLSYLMLHT-UTRMSSBJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.150757,"smiles":"COC1=CC(=C(C(=C1)C)C(=O)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2OC(C)=O)N3\\C=C/C(=O)NC3=O)OC","spectrum_id":"CCMSLIB00000853333","spectrum_index":4391},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347652-02_C35H53N5O7_12-Benzyl-3-isobutyl-6,9-diisopropyl-5,8-dimethyldodecahydro-1H,3H-pyrrolo[1,2-q][1,4,7,10,13,17]oxapentaazacyclononadecine-1,4,7,10,13,17(14H)-hexone","exact_mass":655.394,"inchikey":"RPJBXUNEXVNBIF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":656.401123,"smiles":"CC(C)CC1OC(=O)C2CCCN2C(=O)CCNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000853336","spectrum_index":4392},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347652-02_C35H53N5O7_12-Benzyl-3-isobutyl-6,9-diisopropyl-5,8-dimethyldodecahydro-1H,3H-pyrrolo[1,2-q][1,4,7,10,13,17]oxapentaazacyclononadecine-1,4,7,10,13,17(14H)-hexone","exact_mass":655.394,"inchikey":"RPJBXUNEXVNBIF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":673.42749,"smiles":"CC(C)CC1OC(=O)C2CCCN2C(=O)CCNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000853338","spectrum_index":4393},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347652-02_C35H53N5O7_12-Benzyl-3-isobutyl-6,9-diisopropyl-5,8-dimethyldodecahydro-1H,3H-pyrrolo[1,2-q][1,4,7,10,13,17]oxapentaazacyclononadecine-1,4,7,10,13,17(14H)-hexone","exact_mass":655.394,"inchikey":"RPJBXUNEXVNBIF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":678.382629,"smiles":"CC(C)CC1OC(=O)C2CCCN2C(=O)CCNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000853340","spectrum_index":4394},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347668-02_C37H50O21_(1aS,2S,6S,6aS)-6-({6-Deoxy-3-O-(beta-D-glucopyranosyl)-4-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":830.284,"inchikey":"JKLAVFMVEROOKJ-ARADSITGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":831.288391,"smiles":"COC1=CC=C(\\C=C\\C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@H]3C4\\C=C/O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4[C@@]6(CO)O[C@@H]36)[C@H](O)[C@@H]2O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C=C1","spectrum_id":"CCMSLIB00000853342","spectrum_index":4395},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347668-02_C37H50O21_(1aS,2S,6S,6aS)-6-({6-Deoxy-3-O-(beta-D-glucopyranosyl)-4-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":830.284,"inchikey":"JKLAVFMVEROOKJ-ARADSITGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":848.314941,"smiles":"COC1=CC=C(\\C=C\\C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@H]3C4\\C=C/O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4[C@@]6(CO)O[C@@H]36)[C@H](O)[C@@H]2O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C=C1","spectrum_id":"CCMSLIB00000853344","spectrum_index":4396},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347668-02_C37H50O21_(1aS,2S,6S,6aS)-6-({6-Deoxy-3-O-(beta-D-glucopyranosyl)-4-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside","exact_mass":830.284,"inchikey":"JKLAVFMVEROOKJ-ARADSITGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":853.271118,"smiles":"COC1=CC=C(\\C=C\\C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@H]3C4\\C=C/O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4[C@@]6(CO)O[C@@H]36)[C@H](O)[C@@H]2O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C=C1","spectrum_id":"CCMSLIB00000853346","spectrum_index":4397},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347813-02_C19H22N2O9_Uridine, 3'-(2,4-dimethoxy-6-methylbenzoate)","exact_mass":422.133,"inchikey":"LQYPUZKOEZWGBX-BASLNEPJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.140594,"smiles":"COC1=CC(=C(C(=O)O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)N3\\C=C/C(=O)NC3=O)C(=C1)OC)C","spectrum_id":"CCMSLIB00000853348","spectrum_index":4398},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380589-01_C15H20O6_(2S,3S)-2-[(1E,3R,4S)-3,4-Dihydroxy-1-penten-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E)-2-methyl-2-butenoate","exact_mass":296.126,"inchikey":"JTHHOHSDOJJNFN-ZXSHYABSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.133942,"smiles":"C/C=C(C)/C(=O)O[C@H]1\\C=C/C(=O)O[C@H]1/C=C/[C@@H](O)[C@H](C)O","spectrum_id":"CCMSLIB00000853349","spectrum_index":4399},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380589-01_C15H20O6_(2S,3S)-2-[(1E,3R,4S)-3,4-Dihydroxy-1-penten-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E)-2-methyl-2-butenoate","exact_mass":296.126,"inchikey":"JTHHOHSDOJJNFN-ZXSHYABSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.123352,"smiles":"C/C=C(C)/C(=O)O[C@H]1\\C=C/C(=O)O[C@H]1/C=C/[C@@H](O)[C@H](C)O","spectrum_id":"CCMSLIB00000853351","spectrum_index":4400},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380589-01_C15H20O6_(2S,3S)-2-[(1E,3R,4S)-3,4-Dihydroxy-1-penten-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E)-2-methyl-2-butenoate","exact_mass":296.126,"inchikey":"JTHHOHSDOJJNFN-ZXSHYABSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.115875,"smiles":"C/C=C(C)/C(=O)O[C@H]1\\C=C/C(=O)O[C@H]1/C=C/[C@@H](O)[C@H](C)O","spectrum_id":"CCMSLIB00000853354","spectrum_index":4401},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180355-02_C21H13N3O3_","exact_mass":355.096,"inchikey":"NUBAAWQBTGSVGH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":356.10556,"smiles":"OC1=C2N3C(=O)C4=C(C=CC=C4)/N=C3/C5=C(NC(=O)C2=CC=C1)C=CC=C5","spectrum_id":"CCMSLIB00000853356","spectrum_index":4402},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180355-02_C21H13N3O3_","exact_mass":355.096,"inchikey":"NUBAAWQBTGSVGH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.087952,"smiles":"OC1=C2N3C(=O)C4=C(C=CC=C4)/N=C3/C5=C(NC(=O)C2=CC=C1)C=CC=C5","spectrum_id":"CCMSLIB00000853358","spectrum_index":4403},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384481-01_C19H22O5_(1R,2S,3S,4S,7R,10R,13R,17R)-17-Hydroxy-4-methyl-14-methylene-5-oxo-6-oxapentacyclo[11.2.1.1~4,7~.0~1,10~.0~3,9~]heptadec-8-ene-2-carboxylic acid","exact_mass":330.147,"inchikey":"NIYWWSSZSAHRIW-TXVGEWSDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.145569,"smiles":"C[C@]12[C@@H](O)[C@H](OC1=O)\\C=C/3[C@@H]4CC[C@@H]5C[C@]4(CC5=C)[C@H]([C@H]23)C(O)=O","spectrum_id":"CCMSLIB00000853360","spectrum_index":4404},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384481-01_C19H22O5_(1R,2S,3S,4S,7R,10R,13R,17R)-17-Hydroxy-4-methyl-14-methylene-5-oxo-6-oxapentacyclo[11.2.1.1~4,7~.0~1,10~.0~3,9~]heptadec-8-ene-2-carboxylic acid","exact_mass":330.147,"inchikey":"NIYWWSSZSAHRIW-TXVGEWSDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":348.183502,"smiles":"C[C@]12[C@@H](O)[C@H](OC1=O)\\C=C/3[C@@H]4CC[C@@H]5C[C@]4(CC5=C)[C@H]([C@H]23)C(O)=O","spectrum_id":"CCMSLIB00000853362","spectrum_index":4405},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384484-01_C36H44N8O8_Cyclo(glycyltryptophylprolylglycylvalylglycyltyrosyl)","exact_mass":716.328,"inchikey":"MRHAPHFJBAUDTR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":717.336609,"smiles":"CC(C)C1NC(=O)CNC(=O)C2CCCN2C(=O)C(CC3=C[NH]C4=CC=CC=C34)NC(=O)CNC(=O)C(CC5=CC=C(O)C=C5)NC(=O)CNC1=O","spectrum_id":"CCMSLIB00000853364","spectrum_index":4406},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384484-01_C36H44N8O8_Cyclo(glycyltryptophylprolylglycylvalylglycyltyrosyl)","exact_mass":716.328,"inchikey":"MRHAPHFJBAUDTR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":739.318604,"smiles":"CC(C)C1NC(=O)CNC(=O)C2CCCN2C(=O)C(CC3=C[NH]C4=CC=CC=C34)NC(=O)CNC(=O)C(CC5=CC=C(O)C=C5)NC(=O)CNC1=O","spectrum_id":"CCMSLIB00000853365","spectrum_index":4407},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384520-01_C24H30O14_2H-Pyran-4-acetic acid, 5-carboxy-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-, alpha-[2-(3,4-dihydroxyphenyl)ethyl] ester, (2S,3Z,4S)-","exact_mass":542.164,"inchikey":"QIXOVYGMZDYDIN-ZELDYNEHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.173401,"smiles":"OC\\C=C1/[C@@H](O\\C=C(/[C@H]1CC(=O)OCCC2=CC(=C(O)C=C2)O)C(O)=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000853368","spectrum_index":4408},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384520-01_C24H30O14_2H-Pyran-4-acetic acid, 5-carboxy-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-, alpha-[2-(3,4-dihydroxyphenyl)ethyl] ester, (2S,3Z,4S)-","exact_mass":542.164,"inchikey":"QIXOVYGMZDYDIN-ZELDYNEHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.155396,"smiles":"OC\\C=C1/[C@@H](O\\C=C(/[C@H]1CC(=O)OCCC2=CC(=C(O)C=C2)O)C(O)=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000853370","spectrum_index":4409},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384523-01_C29H44O9_Card-20(22)-enolide, 3-(beta-D-glucopyranosyloxy)-14-hydroxy-, (3beta,9xi)-","exact_mass":536.299,"inchikey":"CMHWMOGWFZWDMR-GRIHHVLPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":537.308289,"smiles":"C[C@]12CC[C@@H](CC1CC[C@@H]3C2CC[C@]4(C)[C@H](CC[C@]34O)/C5=C/C(=O)OC5)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000853372","spectrum_index":4410},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384576-01_C18H24O12_2-Methyl-4-oxo-4H-pyran-3-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside","exact_mass":432.127,"inchikey":"WCVUIHQUPRXYKT-RGCIIANRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.136658,"smiles":"CC\\1=C(/O[C@@H]2O[C@H](COC(=O)CC(C)(O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]2O)C(=O)\\C=C/O1","spectrum_id":"CCMSLIB00000853374","spectrum_index":4411},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384576-01_C18H24O12_2-Methyl-4-oxo-4H-pyran-3-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside","exact_mass":432.127,"inchikey":"WCVUIHQUPRXYKT-RGCIIANRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.118225,"smiles":"CC\\1=C(/O[C@@H]2O[C@H](COC(=O)CC(C)(O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]2O)C(=O)\\C=C/O1","spectrum_id":"CCMSLIB00000853376","spectrum_index":4412},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386105-01_C19H22O3_5-Hydroxy-6-(3-methyl-2-buten-1-yl)-2-[(1E)-1-penten-1-yl]-1-benzofuran-4-carbaldehyde","exact_mass":298.157,"inchikey":"SBYYFNVKZGJIPR-VOTSOKGWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.16629,"smiles":"CCC/C=C/C1=CC2=C(O1)C=C(CC=C(C)C)C(=C2C=O)O","spectrum_id":"CCMSLIB00000853378","spectrum_index":4413},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169032-03_C17H26O11_(1S,4aS,5R,7S,7aS)-1-(beta-D-Glucopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl acetate","exact_mass":406.148,"inchikey":"CAFTUQNGDROXEZ-XBDCZORHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.13623,"smiles":"CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)\\C=C/O[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12","spectrum_id":"CCMSLIB00000853380","spectrum_index":4414},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385123-01_C22H30O6_7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate","exact_mass":390.204,"inchikey":"WZYGIALDVOKLLL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.210999,"smiles":"CC1C(O)C2(OC(C)=O)C(C3\\C=C(CO)/CC4C(\\C=C(C)/C4=O)C13O)C2(C)C","spectrum_id":"CCMSLIB00000853382","spectrum_index":4415},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385123-01_C22H30O6_7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate","exact_mass":390.204,"inchikey":"WZYGIALDVOKLLL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.201111,"smiles":"CC1C(O)C2(OC(C)=O)C(C3\\C=C(CO)/CC4C(\\C=C(C)/C4=O)C13O)C2(C)C","spectrum_id":"CCMSLIB00000853384","spectrum_index":4416},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385123-01_C22H30O6_7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate","exact_mass":390.204,"inchikey":"WZYGIALDVOKLLL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.238251,"smiles":"CC1C(O)C2(OC(C)=O)C(C3\\C=C(CO)/CC4C(\\C=C(C)/C4=O)C13O)C2(C)C","spectrum_id":"CCMSLIB00000853386","spectrum_index":4417},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385130-01_C16H24O8_Hexopyranoside, 2-hydroxy-2-(4-methoxyphenyl)-1-methylethyl","exact_mass":344.147,"inchikey":"JYWSARFDLXXOHT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.136139,"smiles":"COC1=CC=C(C=C1)C(O)C(C)OC2OC(CO)C(O)C(O)C2O","spectrum_id":"CCMSLIB00000853388","spectrum_index":4418},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385131-01_C15H22O4_Azuleno[5,6-c]furan-1(3H)-one, 4,4a,5,6,7,7a,8,9-octahydro-4,8-dihydroxy-6,6,8-trimethyl-","exact_mass":266.152,"inchikey":"UUZWMJQAEYBHAO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.148422,"smiles":"CC1(C)CC2C(O)C/3=C(CC(C)(O)C2C1)/C(=O)OC3","spectrum_id":"CCMSLIB00000853390","spectrum_index":4419},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385132-01_C23H28O7_1-Phenanthrenecarboxylic acid, 10-(acetyloxy)-1,2,4a,9,10,10a-hexahydro-5,9-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-2-oxo-, methyl ester, (1R,4aS,9S,10S)-","exact_mass":416.184,"inchikey":"ROWKODQLOIEBHL-MXHWVDEXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.180481,"smiles":"COC(=O)[C@]1(C)C2[C@H](OC(C)=O)[C@@H](O)C3=C(C(=CC(=C3)C(C)C)O)[C@@]2(C)\\C=C/C1=O","spectrum_id":"CCMSLIB00000853392","spectrum_index":4420},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385132-01_C23H28O7_1-Phenanthrenecarboxylic acid, 10-(acetyloxy)-1,2,4a,9,10,10a-hexahydro-5,9-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-2-oxo-, methyl ester, (1R,4aS,9S,10S)-","exact_mass":416.184,"inchikey":"ROWKODQLOIEBHL-MXHWVDEXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.173218,"smiles":"COC(=O)[C@]1(C)C2[C@H](OC(C)=O)[C@@H](O)C3=C(C(=CC(=C3)C(C)C)O)[C@@]2(C)\\C=C/C1=O","spectrum_id":"CCMSLIB00000853394","spectrum_index":4421},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385137-01_C36H58O10_Hexopyranose, 1-O-(3,19,23-trihydroxy-28-oxours-12-en-28-yl)-","exact_mass":650.403,"inchikey":"LARPFJIXBULVPK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":673.389648,"smiles":"CC1CCC2(CCC3(C)\\C(=C/CC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1(C)O)C(=O)OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000853396","spectrum_index":4422},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168803-04_C30H50O2_Lup-20(29)-ene-3,28-diol, (3beta)-","exact_mass":442.381,"inchikey":"FVWJYYTZTCVBKE-ROUWMTJPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.391998,"smiles":"CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12","spectrum_id":"CCMSLIB00000853397","spectrum_index":4423},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168803-04_C30H50O2_Lup-20(29)-ene-3,28-diol, (3beta)-","exact_mass":442.381,"inchikey":"FVWJYYTZTCVBKE-ROUWMTJPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.381439,"smiles":"CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12","spectrum_id":"CCMSLIB00000853400","spectrum_index":4424},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168883-03_C22H24O9_(3aS,4S,5R,7aS,8aS,8cS)-5-Hydroxy-6,8a-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,5,7,7a,8a,8b,8c-decahydrooxireno[2,3]azuleno[4,5-b]furan-4-yl (2E)-2-(acetoxymethyl)-2-butenoate","exact_mass":432.142,"inchikey":"QCLOIXSOULWMON-GVNWTKAWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.152771,"smiles":"C\\C=C(/COC(C)=O)C(=O)O[C@@H]1[C@H](O)C(=C2/C([C@H]3OC(=O)C(=C)[C@H]13)[C@]4(C)O[C@@H]4C2=O)\\C","spectrum_id":"CCMSLIB00000853402","spectrum_index":4425},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179742-02_C15H22O5_3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (5aS,6R,8aS,9R,12S,12aR)-","exact_mass":282.147,"inchikey":"BLUAFEHZUWYNDE-DFFGHCKCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.156128,"smiles":"C[C@@H]1CCC2[C@@H](C)C(=O)OC3O[C@@]4(C)CCC1[C@@]23OO4","spectrum_id":"CCMSLIB00000853404","spectrum_index":4426},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179742-02_C15H22O5_3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (5aS,6R,8aS,9R,12S,12aR)-","exact_mass":282.147,"inchikey":"BLUAFEHZUWYNDE-DFFGHCKCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.138153,"smiles":"C[C@@H]1CCC2[C@@H](C)C(=O)OC3O[C@@]4(C)CCC1[C@@]23OO4","spectrum_id":"CCMSLIB00000853406","spectrum_index":4427},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179742-02_C15H22O5_3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (5aS,6R,8aS,9R,12S,12aR)-","exact_mass":282.147,"inchikey":"BLUAFEHZUWYNDE-DFFGHCKCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":324.18335,"smiles":"C[C@@H]1CCC2[C@@H](C)C(=O)OC3O[C@@]4(C)CCC1[C@@]23OO4","spectrum_id":"CCMSLIB00000853408","spectrum_index":4428},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384880-02_C57H92O27_alpha-L-Arabinopyranose, O-3-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-beta-D-xylopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,5xi,6beta,9xi)-3-(beta-D-glucopyranosyloxy)-2,6,23-trihydroxy-28-oxoolean-12-en-28-yl]-","exact_mass":1208.58,"inchikey":"CLNPDDMTKIPNGZ-SCKRRUALSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1191.573608,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@]34CCC(C)(C)C[C@H]3C/5=C/CC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)C7[C@H](O)C[C@@]6(C)[C@]5(C)CC4)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O[C@@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]9O","spectrum_id":"CCMSLIB00000853410","spectrum_index":4429},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385802-01_C16H24O3_Propanoic acid, 3-hydroxy-2-[(4aR,8aS)-octahydro-4a-methyl-8-methylene-2(1H)-naphthalenylidene]-, methyl ester, (2E)-","exact_mass":264.173,"inchikey":"PMMWVYKBDULGDG-MJTSSRLASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.171143,"smiles":"COC(=O)/C(CO)=C/1CC[C@@]2(C)CCCC(=C)[C@@H]2C1","spectrum_id":"CCMSLIB00000853412","spectrum_index":4430},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385802-01_C16H24O3_Propanoic acid, 3-hydroxy-2-[(4aR,8aS)-octahydro-4a-methyl-8-methylene-2(1H)-naphthalenylidene]-, methyl ester, (2E)-","exact_mass":264.173,"inchikey":"PMMWVYKBDULGDG-MJTSSRLASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.164185,"smiles":"COC(=O)/C(CO)=C/1CC[C@@]2(C)CCCC(=C)[C@@H]2C1","spectrum_id":"CCMSLIB00000853414","spectrum_index":4431},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385806-01_C53H84O24_beta-D-Galactopyranose, O-beta-D-xylopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[3-(beta-D-glucopyranosyloxy)-2,23,27-trihydroxy-23,28-dioxoolean-12-en-28-yl]-","exact_mass":1104.54,"inchikey":"KVWTUWYHUKDWNS-TXUYWMLKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1087.527954,"smiles":"C[C@H]1O[C@@H](OC(=O)C23CCC(C)(C)CC2C/4=C/CC5C6(C)CC(O)C(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C6CCC5(C)C4(CO)CC3)C(O)=O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H]8O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853416","spectrum_index":4432},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385806-01_C53H84O24_beta-D-Galactopyranose, O-beta-D-xylopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[3-(beta-D-glucopyranosyloxy)-2,23,27-trihydroxy-23,28-dioxoolean-12-en-28-yl]-","exact_mass":1104.54,"inchikey":"KVWTUWYHUKDWNS-TXUYWMLKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1127.52124,"smiles":"C[C@H]1O[C@@H](OC(=O)C23CCC(C)(C)CC2C/4=C/CC5C6(C)CC(O)C(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C6CCC5(C)C4(CO)CC3)C(O)=O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H]8O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853418","spectrum_index":4433},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169065-03_C16H15NO4_2(1H)-Quinolinone, 3,4-dihydro-3,4-dihydroxy-4-(4-methoxyphenyl)-","exact_mass":285.1,"inchikey":"VJLVPUFVTPJHDI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.10614,"smiles":"COC1=CC=C(C=C1)C2(O)C(O)C(=O)NC3=C2C=CC=C3","spectrum_id":"CCMSLIB00000853420","spectrum_index":4434},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169065-03_C16H15NO4_2(1H)-Quinolinone, 3,4-dihydro-3,4-dihydroxy-4-(4-methoxyphenyl)-","exact_mass":285.1,"inchikey":"VJLVPUFVTPJHDI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":268.095581,"smiles":"COC1=CC=C(C=C1)C2(O)C(O)C(=O)NC3=C2C=CC=C3","spectrum_id":"CCMSLIB00000853422","spectrum_index":4435},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169065-03_C16H15NO4_2(1H)-Quinolinone, 3,4-dihydro-3,4-dihydroxy-4-(4-methoxyphenyl)-","exact_mass":285.1,"inchikey":"VJLVPUFVTPJHDI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.087952,"smiles":"COC1=CC=C(C=C1)C2(O)C(O)C(=O)NC3=C2C=CC=C3","spectrum_id":"CCMSLIB00000853424","spectrum_index":4436},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169728-02_C16H22N2O4_N-Acetylphenylalanylvaline","exact_mass":306.158,"inchikey":"PAZRNFHBUAVIRN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.164032,"smiles":"CC(C)C(NC(=O)C(CC1=CC=CC=C1)NC(C)=O)C(O)=O","spectrum_id":"CCMSLIB00000853425","spectrum_index":4437},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169728-02_C16H22N2O4_N-Acetylphenylalanylvaline","exact_mass":306.158,"inchikey":"PAZRNFHBUAVIRN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.145905,"smiles":"CC(C)C(NC(=O)C(CC1=CC=CC=C1)NC(C)=O)C(O)=O","spectrum_id":"CCMSLIB00000853428","spectrum_index":4438},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380812-02_C23H22N4O5_1H-Imidazo[1,2-a]indole-9-propanoic acid, 2,3,9,9a-tetrahydro-9-hydroxy-2,2-dimethyl-3-oxo-alpha-(4-oxo-3(4H)-quinazolinyl)-","exact_mass":434.159,"inchikey":"BMFPATPGMGPSGR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.164642,"smiles":"CC1(C)NC2N(C1=O)C3=CC=CC=C3C2(O)CC(N4\\C=N/C5=C(C=CC=C5)C4=O)C(O)=O","spectrum_id":"CCMSLIB00000853430","spectrum_index":4439},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380812-02_C23H22N4O5_1H-Imidazo[1,2-a]indole-9-propanoic acid, 2,3,9,9a-tetrahydro-9-hydroxy-2,2-dimethyl-3-oxo-alpha-(4-oxo-3(4H)-quinazolinyl)-","exact_mass":434.159,"inchikey":"BMFPATPGMGPSGR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.153656,"smiles":"CC1(C)NC2N(C1=O)C3=CC=CC=C3C2(O)CC(N4\\C=N/C5=C(C=CC=C5)C4=O)C(O)=O","spectrum_id":"CCMSLIB00000853432","spectrum_index":4440},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380980-02_C24H24N4O6_1H-Imidazo[1,2-a]indole-9-propanoic acid, 2,3,9,9a-tetrahydro-1,9-dihydroxy-2,2-dimethyl-3-oxo-alpha-(4-oxo-3(4H)-quinazolinyl)-, methyl ester, (9S,9aS)-","exact_mass":464.17,"inchikey":"PDUNPLZHIQQDAD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.175018,"smiles":"COC(=O)C(CC1(O)C2N(O)C(C)(C)C(=O)N2C3=CC=CC=C13)N4\\C=N/C5=C(C=CC=C5)C4=O","spectrum_id":"CCMSLIB00000853434","spectrum_index":4441},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380980-02_C24H24N4O6_1H-Imidazo[1,2-a]indole-9-propanoic acid, 2,3,9,9a-tetrahydro-1,9-dihydroxy-2,2-dimethyl-3-oxo-alpha-(4-oxo-3(4H)-quinazolinyl)-, methyl ester, (9S,9aS)-","exact_mass":464.17,"inchikey":"PDUNPLZHIQQDAD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.164307,"smiles":"COC(=O)C(CC1(O)C2N(O)C(C)(C)C(=O)N2C3=CC=CC=C13)N4\\C=N/C5=C(C=CC=C5)C4=O","spectrum_id":"CCMSLIB00000853436","spectrum_index":4442},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381186-01_C27H31NO5_8H-Pyrano[2,3-f]quinolin-8-one, 2,7,9,10-tetrahydro-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2-methyl-2-(4-methyl-3-penten-1-yl)-, (2S,9R,10R)-","exact_mass":449.22,"inchikey":"CPWPNTRWIIAFEG-MUXGKCGLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.225128,"smiles":"CO[C@H]1C(=O)NC2=CC=C3\\C=C/C(C)(CCC=C(C)C)OC3=C2[C@]1(O)C4=CC=C(OC)C=C4","spectrum_id":"CCMSLIB00000853438","spectrum_index":4443},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381186-01_C27H31NO5_8H-Pyrano[2,3-f]quinolin-8-one, 2,7,9,10-tetrahydro-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2-methyl-2-(4-methyl-3-penten-1-yl)-, (2S,9R,10R)-","exact_mass":449.22,"inchikey":"CPWPNTRWIIAFEG-MUXGKCGLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.215179,"smiles":"CO[C@H]1C(=O)NC2=CC=C3\\C=C/C(C)(CCC=C(C)C)OC3=C2[C@]1(O)C4=CC=C(OC)C=C4","spectrum_id":"CCMSLIB00000853440","spectrum_index":4444},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381186-01_C27H31NO5_8H-Pyrano[2,3-f]quinolin-8-one, 2,7,9,10-tetrahydro-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2-methyl-2-(4-methyl-3-penten-1-yl)-, (2S,9R,10R)-","exact_mass":449.22,"inchikey":"CPWPNTRWIIAFEG-MUXGKCGLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":472.207214,"smiles":"CO[C@H]1C(=O)NC2=CC=C3\\C=C/C(C)(CCC=C(C)C)OC3=C2[C@]1(O)C4=CC=C(OC)C=C4","spectrum_id":"CCMSLIB00000853441","spectrum_index":4445},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381187-01_C23H20N4O5_(2S,4R,9a'S)-1'-Hydroxy-2',2'-dimethyl-4-(4-oxo-3(4H)-quinazolinyl)-1',9a'-dihydro-3H-spiro[furan-2,9'-imidazo[1,2-a]indole]-3',5(2'H,4H)-dione","exact_mass":432.143,"inchikey":"NRWLZYIHXSJKCU-BININLDBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.149017,"smiles":"CC1(C)N(O)[C@H]2N(C1=O)C3=C(C=CC=C3)[C@]24CC(N5\\C=N/C6=C(C=CC=C6)C5=O)C(=O)O4","spectrum_id":"CCMSLIB00000853443","spectrum_index":4446},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381187-01_C23H20N4O5_(2S,4R,9a'S)-1'-Hydroxy-2',2'-dimethyl-4-(4-oxo-3(4H)-quinazolinyl)-1',9a'-dihydro-3H-spiro[furan-2,9'-imidazo[1,2-a]indole]-3',5(2'H,4H)-dione","exact_mass":432.143,"inchikey":"NRWLZYIHXSJKCU-BININLDBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.138184,"smiles":"CC1(C)N(O)[C@H]2N(C1=O)C3=C(C=CC=C3)[C@]24CC(N5\\C=N/C6=C(C=CC=C6)C5=O)C(=O)O4","spectrum_id":"CCMSLIB00000853446","spectrum_index":4447},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381190-01_C27H29N5O5_","exact_mass":503.217,"inchikey":"ZCTHXQVUJKDGDA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":504.221832,"smiles":"CC(C)C1(O)NC(=O)C(CC2(O)C3NC(C)(C)C(=O)N3C4=C2C=CC=C4)N\\5C(=O)C6=CC=CC=C6\\N=C15","spectrum_id":"CCMSLIB00000853448","spectrum_index":4448},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381190-01_C27H29N5O5_","exact_mass":503.217,"inchikey":"ZCTHXQVUJKDGDA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":486.211426,"smiles":"CC(C)C1(O)NC(=O)C(CC2(O)C3NC(C)(C)C(=O)N3C4=C2C=CC=C4)N\\5C(=O)C6=CC=CC=C6\\N=C15","spectrum_id":"CCMSLIB00000853450","spectrum_index":4449},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169215-02_C17H18O6_(2S,6'R)-2',4,6-Trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione","exact_mass":318.11,"inchikey":"QPCYNIYZPDJCMB-XLFHBGCDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.117615,"smiles":"COC1=CC2=C(C(=O)[C@]3(O2)[C@H](C)CC(=O)/C=C3/OC)C(=C1)OC","spectrum_id":"CCMSLIB00000853452","spectrum_index":4450},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169215-02_C17H18O6_(2S,6'R)-2',4,6-Trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione","exact_mass":318.11,"inchikey":"QPCYNIYZPDJCMB-XLFHBGCDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.099396,"smiles":"COC1=CC2=C(C(=O)[C@]3(O2)[C@H](C)CC(=O)/C=C3/OC)C(=C1)OC","spectrum_id":"CCMSLIB00000853453","spectrum_index":4451},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169456-02_C21H38O10_(1R,2R,4aS,5S,8S,8aR)-5,8-Dihydroxy-4a-(hydroxymethyl)-2-(2-hydroxy-2-propanyl)-8-methyldecahydro-1-naphthalenyl beta-D-glucopyranoside","exact_mass":450.246,"inchikey":"WYZMMUAUJZZQCB-QGLHYGDASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.242157,"smiles":"CC(C)(O)[C@@H]1CC[C@]2(CO)[C@@H](O)CC[C@](C)(O)[C@H]2[C@@H]1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000853455","spectrum_index":4452},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169456-02_C21H38O10_(1R,2R,4aS,5S,8S,8aR)-5,8-Dihydroxy-4a-(hydroxymethyl)-2-(2-hydroxy-2-propanyl)-8-methyldecahydro-1-naphthalenyl beta-D-glucopyranoside","exact_mass":450.246,"inchikey":"WYZMMUAUJZZQCB-QGLHYGDASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":473.234802,"smiles":"CC(C)(O)[C@@H]1CC[C@]2(CO)[C@@H](O)CC[C@](C)(O)[C@H]2[C@@H]1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000853458","spectrum_index":4453},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384964-01_C34H38O8_7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, 10-(benzoyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-4a,7,9,9-tetramethyl-2,13-dioxo-, methyl ester, (4R,4aR,7R,8S,10R,11R)-","exact_mass":574.257,"inchikey":"FFEDQMUTKXNOJV-UMVOKLPLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":575.261902,"smiles":"COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C2=CC=CC=C2)C3CC/4=C/5CC(=O)O[C@@H](C6=COC=C6)[C@]5(C)CCC4[C@@]1(C)C3=O","spectrum_id":"CCMSLIB00000853459","spectrum_index":4454},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384964-01_C34H38O8_7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, 10-(benzoyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-4a,7,9,9-tetramethyl-2,13-dioxo-, methyl ester, (4R,4aR,7R,8S,10R,11R)-","exact_mass":574.257,"inchikey":"FFEDQMUTKXNOJV-UMVOKLPLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":597.242676,"smiles":"COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C2=CC=CC=C2)C3CC/4=C/5CC(=O)O[C@@H](C6=COC=C6)[C@]5(C)CCC4[C@@]1(C)C3=O","spectrum_id":"CCMSLIB00000853462","spectrum_index":4455},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384966-01_C14H22O4_3-Hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyloctahydrocyclopropa[e]inden-2(1H)-one","exact_mass":254.152,"inchikey":"CUAPOUHDJKWLOB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.148331,"smiles":"CC1(CO)CC2C(O)C(=O)C3(CO)CC3(C)C2C1","spectrum_id":"CCMSLIB00000853463","spectrum_index":4456},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384966-01_C14H22O4_3-Hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyloctahydrocyclopropa[e]inden-2(1H)-one","exact_mass":254.152,"inchikey":"CUAPOUHDJKWLOB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.140747,"smiles":"CC1(CO)CC2C(O)C(=O)C3(CO)CC3(C)C2C1","spectrum_id":"CCMSLIB00000853465","spectrum_index":4457},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384969-01_C22H31NO4_(5R)-3-({(1S,2R,4aS,6R,8aR)-1,6-Dimethyl-2-[(1E)-1-propen-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}carbonyl)-4-hydroxy-5-(hydroxymethyl)-1-methyl-1,5-dihydro-2H-pyrrol-2-one","exact_mass":373.225,"inchikey":"YHKYFYCSTJGMID-JWROMMBDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.232544,"smiles":"C\\C=C\\[C@@H]1\\C=C/[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)C(=O)/C3=C(O)/[C@@H](CO)N(C)C3=O","spectrum_id":"CCMSLIB00000853468","spectrum_index":4458},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384969-01_C22H31NO4_(5R)-3-({(1S,2R,4aS,6R,8aR)-1,6-Dimethyl-2-[(1E)-1-propen-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}carbonyl)-4-hydroxy-5-(hydroxymethyl)-1-methyl-1,5-dihydro-2H-pyrrol-2-one","exact_mass":373.225,"inchikey":"YHKYFYCSTJGMID-JWROMMBDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":356.222412,"smiles":"C\\C=C\\[C@@H]1\\C=C/[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)C(=O)/C3=C(O)/[C@@H](CO)N(C)C3=O","spectrum_id":"CCMSLIB00000853470","spectrum_index":4459},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384969-01_C22H31NO4_(5R)-3-({(1S,2R,4aS,6R,8aR)-1,6-Dimethyl-2-[(1E)-1-propen-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}carbonyl)-4-hydroxy-5-(hydroxymethyl)-1-methyl-1,5-dihydro-2H-pyrrol-2-one","exact_mass":373.225,"inchikey":"YHKYFYCSTJGMID-JWROMMBDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":396.213928,"smiles":"C\\C=C\\[C@@H]1\\C=C/[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)C(=O)/C3=C(O)/[C@@H](CO)N(C)C3=O","spectrum_id":"CCMSLIB00000853472","spectrum_index":4460},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384969-01_C22H31NO4_(5R)-3-({(1S,2R,4aS,6R,8aR)-1,6-Dimethyl-2-[(1E)-1-propen-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}carbonyl)-4-hydroxy-5-(hydroxymethyl)-1-methyl-1,5-dihydro-2H-pyrrol-2-one","exact_mass":373.225,"inchikey":"YHKYFYCSTJGMID-JWROMMBDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.258453,"smiles":"C\\C=C\\[C@@H]1\\C=C/[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)C(=O)/C3=C(O)/[C@@H](CO)N(C)C3=O","spectrum_id":"CCMSLIB00000853474","spectrum_index":4461},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384971-01_C19H26O12_beta-D-Fructofuranosyl 6-O-benzoyl-alpha-D-glucopyranoside","exact_mass":446.142,"inchikey":"AFHCRQREQZIDSI-OVUASUNJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":464.175476,"smiles":"OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(=O)C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853476","spectrum_index":4462},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384971-01_C19H26O12_beta-D-Fructofuranosyl 6-O-benzoyl-alpha-D-glucopyranoside","exact_mass":446.142,"inchikey":"AFHCRQREQZIDSI-OVUASUNJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.131073,"smiles":"OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(=O)C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853478","spectrum_index":4463},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384973-01_C13H22O4_(3E)-4-(1,2,4-Trihydroxy-2,6,6-trimethylcyclohexyl)-3-buten-2-one","exact_mass":242.152,"inchikey":"QASOACWKTAXFSE-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":225.148499,"smiles":"CC(=O)/C=C/C1(O)C(C)(C)CC(O)CC1(C)O","spectrum_id":"CCMSLIB00000853480","spectrum_index":4464},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169689-02_C48H78O19_beta-D-Glucopyranose, O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-1-O-[(2alpha,3beta,5xi,9xi,18xi)-2,3,23-trihydroxy-28-oxours-12-en-28-yl]-","exact_mass":958.514,"inchikey":"WYQVAPGDARQUBT-ZKFJACKJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":941.50354,"smiles":"C[C@@H]1CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2[C@H]1C)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000853482","spectrum_index":4465},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169689-02_C48H78O19_beta-D-Glucopyranose, O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-1-O-[(2alpha,3beta,5xi,9xi,18xi)-2,3,23-trihydroxy-28-oxours-12-en-28-yl]-","exact_mass":958.514,"inchikey":"WYQVAPGDARQUBT-ZKFJACKJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":976.541199,"smiles":"C[C@@H]1CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2[C@H]1C)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000853484","spectrum_index":4466},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169689-02_C48H78O19_beta-D-Glucopyranose, O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-1-O-[(2alpha,3beta,5xi,9xi,18xi)-2,3,23-trihydroxy-28-oxours-12-en-28-yl]-","exact_mass":958.514,"inchikey":"WYQVAPGDARQUBT-ZKFJACKJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":981.495483,"smiles":"C[C@@H]1CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2[C@H]1C)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000853486","spectrum_index":4467},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180717-02_C15H22O3_2-Naphthaleneacetic acid, decahydro-2-hydroxy-4a-methyl-alpha,8-bis(methylene)-, (2S,4aR,8aS)-","exact_mass":250.157,"inchikey":"WQMBCGHXXVLQTE-CFVMTHIKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.153854,"smiles":"C[C@]12CCCC(=C)[C@@H]1C[C@@](O)(CC2)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000853488","spectrum_index":4468},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385189-01_C44H68O19_Card-20(22)-enolide, 16-(acetyloxy)-3-[[O-hexopyranosyl-(1->6)-O-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy]-14-hydroxy-","exact_mass":900.435,"inchikey":"PKZLCDIEFSFXDK-HYBCLLSISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":918.463196,"smiles":"CO[C@@H]1C[C@@H](O[C@H](C)[C@@H]1O[C@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]4CC[C@@]5(C)C(CCC6C5CC[C@]7(C)[C@H]([C@H](CC67O)OC(C)=O)\\C8=C\\C(=O)OC8)C4","spectrum_id":"CCMSLIB00000853490","spectrum_index":4469},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385190-01_C16H24O7_4-(3-Hydroxybutyl)phenyl beta-D-glucopyranoside","exact_mass":328.152,"inchikey":"SCUSKAVTYFDOEU-YLHHEPAUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.159943,"smiles":"CC(O)CCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000853492","spectrum_index":4470},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385190-01_C16H24O7_4-(3-Hydroxybutyl)phenyl beta-D-glucopyranoside","exact_mass":328.152,"inchikey":"SCUSKAVTYFDOEU-YLHHEPAUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.186676,"smiles":"CC(O)CCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000853494","spectrum_index":4471},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385190-01_C16H24O7_4-(3-Hydroxybutyl)phenyl beta-D-glucopyranoside","exact_mass":328.152,"inchikey":"SCUSKAVTYFDOEU-YLHHEPAUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.141937,"smiles":"CC(O)CCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000853495","spectrum_index":4472},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385192-01_C29H36O6_(2E,4aR,6R,7S,8E,10R)-10-Acetoxy-4a-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate","exact_mass":480.251,"inchikey":"WTURHHSEHGCTBS-OMKDOCLMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.258942,"smiles":"C[C@@H]1C[C@@]2(O)C(\\C=C(C)\\[C@@H](CC3C(/C=C(C)/C2=O)C3(C)C)OC(C)=O)[C@H]1OC(=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000853497","spectrum_index":4473},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385192-01_C29H36O6_(2E,4aR,6R,7S,8E,10R)-10-Acetoxy-4a-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate","exact_mass":480.251,"inchikey":"WTURHHSEHGCTBS-OMKDOCLMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":498.285309,"smiles":"C[C@@H]1C[C@@]2(O)C(\\C=C(C)\\[C@@H](CC3C(/C=C(C)/C2=O)C3(C)C)OC(C)=O)[C@H]1OC(=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000853500","spectrum_index":4474},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385192-01_C29H36O6_(2E,4aR,6R,7S,8E,10R)-10-Acetoxy-4a-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate","exact_mass":480.251,"inchikey":"WTURHHSEHGCTBS-OMKDOCLMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.240479,"smiles":"C[C@@H]1C[C@@]2(O)C(\\C=C(C)\\[C@@H](CC3C(/C=C(C)/C2=O)C3(C)C)OC(C)=O)[C@H]1OC(=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00000853501","spectrum_index":4475},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385193-01_C47H74O17_Olean-12-en-28-oic acid, 3-[[O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranuronosyl]oxy]-, (3beta,5xi,9xi,18xi)-","exact_mass":910.493,"inchikey":"CLQAMCIMWDLXGK-RHAWMLQDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":933.475159,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4C\\C=C/6C7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(O)=O)C3(C)C)[C@@H]2O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853504","spectrum_index":4476},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385195-01_C35H52O14_Carda-5,20(22)-dienolide, 3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-14-hydroxy-, (3beta)-","exact_mass":696.336,"inchikey":"BPYRVOCFRMKMIP-VNHOZMEZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":719.32196,"smiles":"C[C@]\\12CC[C@@H](CC1=C/C[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)/C5=C/C(=O)OC5)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000853506","spectrum_index":4477},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385509-01_C29H38O12_Methyl 2-(hexopyranosyloxy)-4-({6-[2-(4-hydroxyphenyl)ethyl]-4-oxotetrahydro-2H-pyran-2-yl}methyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":578.236,"inchikey":"GGNFGJZLCXTJLH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.242615,"smiles":"COC(=O)C/1=C/OC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3CC(=O)CC(CCC4=CC=C(O)C=C4)O3","spectrum_id":"CCMSLIB00000853508","spectrum_index":4478},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385509-01_C29H38O12_Methyl 2-(hexopyranosyloxy)-4-({6-[2-(4-hydroxyphenyl)ethyl]-4-oxotetrahydro-2H-pyran-2-yl}methyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":578.236,"inchikey":"GGNFGJZLCXTJLH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.233337,"smiles":"COC(=O)C/1=C/OC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3CC(=O)CC(CCC4=CC=C(O)C=C4)O3","spectrum_id":"CCMSLIB00000853510","spectrum_index":4479},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169288-03_C21H26O9_(1aS,3R,4R,5S,5aS,8aR,10R,10aS)-4-Acetoxy-3-hydroxy-3,10-dimethyl-6-methylene-2,7-dioxododecahydrooxireno[7,8]cyclodeca[1,2-b]furan-5-yl methacrylate","exact_mass":422.158,"inchikey":"BRBRVKOYZAMSBL-PXFMFDQNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.165588,"smiles":"C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=C)[C@@H](OC(C)=O)[C@@](C)(O)C(=O)[C@H]3O[C@@H]13","spectrum_id":"CCMSLIB00000853511","spectrum_index":4480},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169288-03_C21H26O9_(1aS,3R,4R,5S,5aS,8aR,10R,10aS)-4-Acetoxy-3-hydroxy-3,10-dimethyl-6-methylene-2,7-dioxododecahydrooxireno[7,8]cyclodeca[1,2-b]furan-5-yl methacrylate","exact_mass":422.158,"inchikey":"BRBRVKOYZAMSBL-PXFMFDQNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":440.192444,"smiles":"C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=C)[C@@H](OC(C)=O)[C@@](C)(O)C(=O)[C@H]3O[C@@H]13","spectrum_id":"CCMSLIB00000853514","spectrum_index":4481},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169696-02_C17H26O12_Methyl (1S,4aR,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-4a,6,7-trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":422.142,"inchikey":"VFYACENSDOLJGQ-SNONCDODSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.132141,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@@H](O)C[C@]13O","spectrum_id":"CCMSLIB00000853515","spectrum_index":4482},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380728-01_C26H34O7_","exact_mass":458.23,"inchikey":"UPJBUABBBFMLGN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":459.239166,"smiles":"COC(=O)C12C(=O)C(C)(O)C(=O)C1(C)\\C(=C/C3C2(C)CCC4C(C)(C)C5CCC34C(=O)O5)C","spectrum_id":"CCMSLIB00000853517","spectrum_index":4483},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380729-01_C21H21N3O3_8',8'-Dimethyl-5a',6'-dihydro-3'H,5'H,8'H-spiro[indole-2,7'-pyrrolo[1',2':4,5]pyrazino[1,2-a]azepine]-3,5',12'(1H,2'H)-trione","exact_mass":363.158,"inchikey":"LBFQJHHYMJAUKS-KKSFZXQISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.166962,"smiles":"CC1(C)\\C=C/N2[C@@H](C[C@@]13NC4=CC=CC=C4C3=O)C(=O)N5CC/C=C5/C2=O","spectrum_id":"CCMSLIB00000853519","spectrum_index":4484},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380730-01_C42H66O16_beta-D-Glucopyranose, 6-O-beta-D-glucopyranosyl-1-O-[(3beta,5xi,9xi)-3,19,24-trihydroxy-24,28-dioxours-12-en-28-yl]-","exact_mass":826.435,"inchikey":"LCQFYEBJTAIMPC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":844.465149,"smiles":"CC1CCC2(CCC3(C)\\C(=C/CC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1(C)O)C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000853522","spectrum_index":4485},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380732-01_C24H35NO4_1H-Cycloundec[d]isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (7E,13E)-","exact_mass":401.257,"inchikey":"GCIKKGSNXSCKCP-HUKVCQRGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.265076,"smiles":"CC(C)CC1NC(=O)C23C(\\C=C(C)\\CCC(O)C(O)\\C=C\\C2=O)/C=C(C)\\C(C)C13","spectrum_id":"CCMSLIB00000853523","spectrum_index":4486},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380732-01_C24H35NO4_1H-Cycloundec[d]isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (7E,13E)-","exact_mass":401.257,"inchikey":"GCIKKGSNXSCKCP-HUKVCQRGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":384.254425,"smiles":"CC(C)CC1NC(=O)C23C(\\C=C(C)\\CCC(O)C(O)\\C=C\\C2=O)/C=C(C)\\C(C)C13","spectrum_id":"CCMSLIB00000853526","spectrum_index":4487},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380732-01_C24H35NO4_1H-Cycloundec[d]isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (7E,13E)-","exact_mass":401.257,"inchikey":"GCIKKGSNXSCKCP-HUKVCQRGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":424.246796,"smiles":"CC(C)CC1NC(=O)C23C(\\C=C(C)\\CCC(O)C(O)\\C=C\\C2=O)/C=C(C)\\C(C)C13","spectrum_id":"CCMSLIB00000853527","spectrum_index":4488},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380733-01_C15H20O6_6-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-5-methyl-2-benzofuran-1(3H)-one","exact_mass":296.126,"inchikey":"WVJWALIKYTWYOP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.134583,"smiles":"COC1=C2COC(=O)C2=CC(=C1C)OCC(O)C(C)(C)O","spectrum_id":"CCMSLIB00000853529","spectrum_index":4489},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380733-01_C15H20O6_6-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-5-methyl-2-benzofuran-1(3H)-one","exact_mass":296.126,"inchikey":"WVJWALIKYTWYOP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.123718,"smiles":"COC1=C2COC(=O)C2=CC(=C1C)OCC(O)C(C)(C)O","spectrum_id":"CCMSLIB00000853531","spectrum_index":4490},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380734-01_C39H65NO10_2-{6-[5-Hydroxy-3-(2-hydroxy-2-propanyl)-6a,9b-dimethyldodecahydrocyclopenta[f]chromen-7-yl]-4a-methyl-3,4,4a,7,8,8a-hexahydro-2H-chromen-2-yl}-2-propanyl 2-acetamido-2-deoxy-6-O-methylhexopyranoside","exact_mass":707.461,"inchikey":"YRWXPMXSOIZLLX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":708.468079,"smiles":"COCC1OC(OC(C)(C)C2CCC3(C)/C=C(CCC3O2)/C4CCC5C6(C)CCC(OC6C(O)CC45C)C(C)(C)O)C(NC(C)=O)C(O)C1O","spectrum_id":"CCMSLIB00000853534","spectrum_index":4491},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380734-01_C39H65NO10_2-{6-[5-Hydroxy-3-(2-hydroxy-2-propanyl)-6a,9b-dimethyldodecahydrocyclopenta[f]chromen-7-yl]-4a-methyl-3,4,4a,7,8,8a-hexahydro-2H-chromen-2-yl}-2-propanyl 2-acetamido-2-deoxy-6-O-methylhexopyranoside","exact_mass":707.461,"inchikey":"YRWXPMXSOIZLLX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":730.44928,"smiles":"COCC1OC(OC(C)(C)C2CCC3(C)/C=C(CCC3O2)/C4CCC5C6(C)CCC(OC6C(O)CC45C)C(C)(C)O)C(NC(C)=O)C(O)C1O","spectrum_id":"CCMSLIB00000853536","spectrum_index":4492},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347510-02_C48H76O19_6-Deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-[(3beta)-3,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":956.498,"inchikey":"LEXLFIULVWKBPT-FXLGSDSZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":957.496948,"smiles":"C[C@@H]1O[C@@H](OC2C(O)C(O)C(OCC3OC(OC(=O)[C@]45CCC(C)(C)CC4\\C6=C\\CC7[C@@]8(C)CC[C@@H](O)[C@@](C)(C8CC[C@@]7(C)[C@]6(C)CC5)C(O)=O)C(O)C(O)C3O)OC2CO)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853538","spectrum_index":4493},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347510-02_C48H76O19_6-Deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-[(3beta)-3,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":956.498,"inchikey":"LEXLFIULVWKBPT-FXLGSDSZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":974.525513,"smiles":"C[C@@H]1O[C@@H](OC2C(O)C(O)C(OCC3OC(OC(=O)[C@]45CCC(C)(C)CC4\\C6=C\\CC7[C@@]8(C)CC[C@@H](O)[C@@](C)(C8CC[C@@]7(C)[C@]6(C)CC5)C(O)=O)C(O)C(O)C3O)OC2CO)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853540","spectrum_index":4494},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347510-02_C48H76O19_6-Deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-[(3beta)-3,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":956.498,"inchikey":"LEXLFIULVWKBPT-FXLGSDSZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":979.479492,"smiles":"C[C@@H]1O[C@@H](OC2C(O)C(O)C(OCC3OC(OC(=O)[C@]45CCC(C)(C)CC4\\C6=C\\CC7[C@@]8(C)CC[C@@H](O)[C@@](C)(C8CC[C@@]7(C)[C@]6(C)CC5)C(O)=O)C(O)C(O)C3O)OC2CO)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853541","spectrum_index":4495},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347612-02_C20H30O4_17-Hydroxy-15,16-epoxykauran-18-oic acid","exact_mass":334.214,"inchikey":"VUKHFRDPHIDEAW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.211365,"smiles":"CC12CCCC(C)(C1CCC34CC(CCC23)C5(CO)OC45)C(O)=O","spectrum_id":"CCMSLIB00000853543","spectrum_index":4496},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347659-02_C31H38O17_3-O-[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]-beta-D-fructofuranosyl 6-O-(4-hydroxybenzoyl)-alpha-D-glucopyranoside","exact_mass":682.211,"inchikey":"BBUQNXDJRVCZTI-FNUXIAMKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":705.197205,"smiles":"COC1=CC(=CC(=C1OC)OC)\\C=C\\C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]3O[C@H](COC(=O)C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000853545","spectrum_index":4497},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385078-01_C19H18O3_Phenol, 2-methoxy-4-[3-methyl-5-[(1E)-1-propen-1-yl]-2-benzofuranyl]-","exact_mass":294.126,"inchikey":"HMGCTPMQYVGXSC-SNAWJCMRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.133148,"smiles":"COC1=C(O)C=CC(=C1)C2=C(C)C3=CC(=CC=C3O2)\\C=C\\C","spectrum_id":"CCMSLIB00000853548","spectrum_index":4498},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385079-01_C19H34O7_4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanyl beta-D-glucopyranoside","exact_mass":374.23,"inchikey":"QOLJILMTPKQQQA-KWEBYEANSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.238129,"smiles":"CC(CCC/1=C(C)/CC(O)CC1(C)C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000853549","spectrum_index":4499},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385079-01_C19H34O7_4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanyl beta-D-glucopyranoside","exact_mass":374.23,"inchikey":"QOLJILMTPKQQQA-KWEBYEANSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.219727,"smiles":"CC(CCC/1=C(C)/CC(O)CC1(C)C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000853551","spectrum_index":4500},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385084-01_C23H32O15_alpha-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-fructofuranosyl","exact_mass":548.174,"inchikey":"WTCVROXOIQEIRC-IBVGEFGBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":531.170044,"smiles":"COC1=C(O)C(=CC(=C1)/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC","spectrum_id":"CCMSLIB00000853553","spectrum_index":4501},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385084-01_C23H32O15_alpha-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-fructofuranosyl","exact_mass":548.174,"inchikey":"WTCVROXOIQEIRC-IBVGEFGBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":571.161865,"smiles":"COC1=C(O)C(=CC(=C1)/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC","spectrum_id":"CCMSLIB00000853555","spectrum_index":4502},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385086-01_C19H28O10_2-Phenylethyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":416.168,"inchikey":"UWKRNCNWJVCHGZ-DERWZFJFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.202179,"smiles":"OC[C@H]1O[C@@H](OCCC2=CC=CC=C2)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853557","spectrum_index":4503},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385086-01_C19H28O10_2-Phenylethyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":416.168,"inchikey":"UWKRNCNWJVCHGZ-DERWZFJFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.157623,"smiles":"OC[C@H]1O[C@@H](OCCC2=CC=CC=C2)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853559","spectrum_index":4504},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385088-01_C27H32O15_2,6-Dihydroxy-2-(4-hydroxybenzyl)-3-oxo-2,3-dihydro-1-benzofuran-4-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":596.174,"inchikey":"RQDVJSDWJAIKOJ-GQIYIWHVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":597.180359,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C4C(=O)C(O)(CC5=CC=C(O)C=C5)OC4=CC(=C3)O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853561","spectrum_index":4505},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385088-01_C27H32O15_2,6-Dihydroxy-2-(4-hydroxybenzyl)-3-oxo-2,3-dihydro-1-benzofuran-4-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":596.174,"inchikey":"RQDVJSDWJAIKOJ-GQIYIWHVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":619.161987,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C4C(=O)C(O)(CC5=CC=C(O)C=C5)OC4=CC(=C3)O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853563","spectrum_index":4506},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169251-02_C47H76O18_6-O-Hexopyranosyl-1-O-[19-hydroxy-28-oxo-3-(pentopyranosyloxy)olean-12-en-28-yl]hexopyranose","exact_mass":928.503,"inchikey":"YLGANLNQTUGMCH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":951.485352,"smiles":"CC1(C)CCC2(CCC3(C)\\C(=C/CC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1O)C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000853565","spectrum_index":4507},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169372-02_C27H34O16_2-(beta-D-Glucopyranosyloxy)benzyl 3-(hexopyranosyloxy)-6-hydroxy-2-methoxybenzoate","exact_mass":614.185,"inchikey":"WQQJTVODGXZMHF-XAYMNHNBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":632.214966,"smiles":"COC1=C(C(=CC=C1OC2OC(CO)C(O)C(O)C2O)O)C(=O)OCC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=CC=C3","spectrum_id":"CCMSLIB00000853567","spectrum_index":4508},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169372-02_C27H34O16_2-(beta-D-Glucopyranosyloxy)benzyl 3-(hexopyranosyloxy)-6-hydroxy-2-methoxybenzoate","exact_mass":614.185,"inchikey":"WQQJTVODGXZMHF-XAYMNHNBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":637.170715,"smiles":"COC1=C(C(=CC=C1OC2OC(CO)C(O)C(O)C2O)O)C(=O)OCC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=CC=C3","spectrum_id":"CCMSLIB00000853569","spectrum_index":4509},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381196-01_C38H56N6O9_Acetamide, N-[eicosahydro-21-[(4-methoxyphenyl)methyl]-18,22-dimethyl-6-(1-methylethyl)-9-(1-methylpropyl)-5,8,11,16,20,23-hexaoxo-5H,16H-dipyrrolo[2,1-f:2',1'-o][1,4,7,10,13,16]oxapentaazacyclononadecin-17-yl]-","exact_mass":740.411,"inchikey":"JEQWQKAKFXGXKA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":741.414001,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(NC(C)=O)C(C)OC(=O)C(CC3=CC=C(OC)C=C3)N(C)C(=O)C4CCCN4C(=O)C(NC1=O)C(C)C","spectrum_id":"CCMSLIB00000853571","spectrum_index":4510},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381196-01_C38H56N6O9_Acetamide, N-[eicosahydro-21-[(4-methoxyphenyl)methyl]-18,22-dimethyl-6-(1-methylethyl)-9-(1-methylpropyl)-5,8,11,16,20,23-hexaoxo-5H,16H-dipyrrolo[2,1-f:2',1'-o][1,4,7,10,13,16]oxapentaazacyclononadecin-17-yl]-","exact_mass":740.411,"inchikey":"JEQWQKAKFXGXKA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":758.439575,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(NC(C)=O)C(C)OC(=O)C(CC3=CC=C(OC)C=C3)N(C)C(=O)C4CCCN4C(=O)C(NC1=O)C(C)C","spectrum_id":"CCMSLIB00000853573","spectrum_index":4511},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381196-01_C38H56N6O9_Acetamide, N-[eicosahydro-21-[(4-methoxyphenyl)methyl]-18,22-dimethyl-6-(1-methylethyl)-9-(1-methylpropyl)-5,8,11,16,20,23-hexaoxo-5H,16H-dipyrrolo[2,1-f:2',1'-o][1,4,7,10,13,16]oxapentaazacyclononadecin-17-yl]-","exact_mass":740.411,"inchikey":"JEQWQKAKFXGXKA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":763.395203,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(NC(C)=O)C(C)OC(=O)C(CC3=CC=C(OC)C=C3)N(C)C(=O)C4CCCN4C(=O)C(NC1=O)C(C)C","spectrum_id":"CCMSLIB00000853575","spectrum_index":4512},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381199-01_C25H38O4_(3aR,5E,7S,10E,14E,16aS)-2,7-Dihydroxy-3-[(2S)-1-hydroxy-2-propanyl]-6,10,14,16a-tetramethyl-4,7,8,9,12,13,16,16a-octahydrocyclopenta[15]annulen-1(3aH)-one","exact_mass":402.277,"inchikey":"UTGBBPSEQPITLF-IXRUDUFRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.282715,"smiles":"C[C@H](CO)C/1=C(O)/C(=O)[C@@]2(C)C/C=C(C)/CC/C=C(C)/CC[C@H](O)/C(=C/C[C@H]12)C","spectrum_id":"CCMSLIB00000853577","spectrum_index":4513},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381199-01_C25H38O4_(3aR,5E,7S,10E,14E,16aS)-2,7-Dihydroxy-3-[(2S)-1-hydroxy-2-propanyl]-6,10,14,16a-tetramethyl-4,7,8,9,12,13,16,16a-octahydrocyclopenta[15]annulen-1(3aH)-one","exact_mass":402.277,"inchikey":"UTGBBPSEQPITLF-IXRUDUFRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.272186,"smiles":"C[C@H](CO)C/1=C(O)/C(=O)[C@@]2(C)C/C=C(C)/CC/C=C(C)/CC[C@H](O)/C(=C/C[C@H]12)C","spectrum_id":"CCMSLIB00000853579","spectrum_index":4514},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381200-01_C11H16O5_","exact_mass":228.1,"inchikey":"OLSZGECXFBCCRZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.106079,"smiles":"CC/1=C/C(=O)OC(C)(C1)CC(C)(O)C(O)=O","spectrum_id":"CCMSLIB00000853581","spectrum_index":4515},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381200-01_C11H16O5_","exact_mass":228.1,"inchikey":"OLSZGECXFBCCRZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":211.095566,"smiles":"CC/1=C/C(=O)OC(C)(C1)CC(C)(O)C(O)=O","spectrum_id":"CCMSLIB00000853583","spectrum_index":4516},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381200-01_C11H16O5_","exact_mass":228.1,"inchikey":"OLSZGECXFBCCRZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.087814,"smiles":"CC/1=C/C(=O)OC(C)(C1)CC(C)(O)C(O)=O","spectrum_id":"CCMSLIB00000853585","spectrum_index":4517},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381203-01_C31H46N4O7_2H-Pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone, 3-(7,8-dihydroxy-6-oxooctyl)octahydro-9-(1-methylpropyl)-6-(phenylmethyl)-","exact_mass":586.337,"inchikey":"YSNRSVKJRYQIIA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":587.340881,"smiles":"CCC(C)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCCC(=O)C(O)CO)NC(=O)C3CCCCN3C1=O","spectrum_id":"CCMSLIB00000853587","spectrum_index":4518},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381203-01_C31H46N4O7_2H-Pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone, 3-(7,8-dihydroxy-6-oxooctyl)octahydro-9-(1-methylpropyl)-6-(phenylmethyl)-","exact_mass":586.337,"inchikey":"YSNRSVKJRYQIIA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":569.330139,"smiles":"CCC(C)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCCC(=O)C(O)CO)NC(=O)C3CCCCN3C1=O","spectrum_id":"CCMSLIB00000853589","spectrum_index":4519},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381203-01_C31H46N4O7_2H-Pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone, 3-(7,8-dihydroxy-6-oxooctyl)octahydro-9-(1-methylpropyl)-6-(phenylmethyl)-","exact_mass":586.337,"inchikey":"YSNRSVKJRYQIIA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.322571,"smiles":"CCC(C)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCCC(=O)C(O)CO)NC(=O)C3CCCCN3C1=O","spectrum_id":"CCMSLIB00000853591","spectrum_index":4520},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381205-01_C27H38O6_(5xi,8alpha,9xi,10alpha)-14-Acetoxy-15-{[(2Z)-2-methyl-2-butenoyl]oxy}kaur-16-en-18-oic acid","exact_mass":458.267,"inchikey":"ALSZHZPQTCVXIR-DFCLNXQMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":476.298431,"smiles":"C\\C=C(C)/C(=O)OC1C(=C)[C@H]2CCC3[C@]4(C)CCC[C@](C)(C4CC[C@]13C2OC(C)=O)C(O)=O","spectrum_id":"CCMSLIB00000853593","spectrum_index":4521},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381205-01_C27H38O6_(5xi,8alpha,9xi,10alpha)-14-Acetoxy-15-{[(2Z)-2-methyl-2-butenoyl]oxy}kaur-16-en-18-oic acid","exact_mass":458.267,"inchikey":"ALSZHZPQTCVXIR-DFCLNXQMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.25415,"smiles":"C\\C=C(C)/C(=O)OC1C(=C)[C@H]2CCC3[C@]4(C)CCC[C@](C)(C4CC[C@]13C2OC(C)=O)C(O)=O","spectrum_id":"CCMSLIB00000853595","spectrum_index":4522},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381206-01_C40H60O10_1-Naphthalenebutanoic acid, decahydro-beta,6-dihydroxy-alpha-(2-hydroxyethylidene)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-, (4E)-4-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]tetrahydro-5-oxo-3-furanyl ester, (alphaE,1R,4aS,5R,6R,8aS)-","exact_mass":700.419,"inchikey":"DJSLHAARKMNBDB-FPIIRXNSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":701.421265,"smiles":"C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\\C=C\\3C(COC3=O)OC(=O)C(=C/CO)/C(O)C[C@@H]4C(=C)CC[C@@H]5[C@](C)(CO)[C@H](O)CC[C@@]45C)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00000853597","spectrum_index":4523},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381144-01_C15H24O2_(4S,4aR)-4-(Hydroxymethyl)-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1(4H)-naphthalenone","exact_mass":236.178,"inchikey":"CDVMOSRXPDTXBF-LKVSRFHLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.185806,"smiles":"CC/1=C/C(=O)C2C(C)(C)CCC[C@]2(C)[C@H]1CO","spectrum_id":"CCMSLIB00000853599","spectrum_index":4524},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381147-01_C29H39NO8_2-{(4S,5S,5aS,9aS)-4-Methoxy-6,6,9a-trimethyl-5-[(2E,4E,6E)-2,4,6-octatrienoyloxy]-1-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydro-2H-benzo[e]isoindol-2-yl}pentanedioic acid","exact_mass":529.268,"inchikey":"FXPWZCUQBSEHTH-QZRFOHQJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":530.275879,"smiles":"CO[C@@H]\\1[C@@H](OC(=O)\\C=C\\C=C\\C=C\\C)[C@H]2C(C)(C)CCC[C@]2(C)\\C3=C1CN(C(CCC(O)=O)C(O)=O)C3=O","spectrum_id":"CCMSLIB00000853601","spectrum_index":4525},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381147-01_C29H39NO8_2-{(4S,5S,5aS,9aS)-4-Methoxy-6,6,9a-trimethyl-5-[(2E,4E,6E)-2,4,6-octatrienoyloxy]-1-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydro-2H-benzo[e]isoindol-2-yl}pentanedioic acid","exact_mass":529.268,"inchikey":"FXPWZCUQBSEHTH-QZRFOHQJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":552.258179,"smiles":"CO[C@@H]\\1[C@@H](OC(=O)\\C=C\\C=C\\C=C\\C)[C@H]2C(C)(C)CCC[C@]2(C)\\C3=C1CN(C(CCC(O)=O)C(O)=O)C3=O","spectrum_id":"CCMSLIB00000853603","spectrum_index":4526},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381148-01_C34H54O23_6-O-[(2E)-2-Methyl-2-butenoyl]-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-2-butenoyl]-alpha-D-glucopyranosyl beta-D-glucopyranosyl-(1->2)-alpha-D-glucopyranoside","exact_mass":830.306,"inchikey":"PUIAUUSJWDDCLR-JBJHWARDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":831.310547,"smiles":"C/C=C(C)/C(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)\\C(C)=C\\C)O[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853605","spectrum_index":4527},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381148-01_C34H54O23_6-O-[(2E)-2-Methyl-2-butenoyl]-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-2-butenoyl]-alpha-D-glucopyranosyl beta-D-glucopyranosyl-(1->2)-alpha-D-glucopyranoside","exact_mass":830.306,"inchikey":"PUIAUUSJWDDCLR-JBJHWARDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":848.338318,"smiles":"C/C=C(C)/C(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)\\C(C)=C\\C)O[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853607","spectrum_index":4528},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381148-01_C34H54O23_6-O-[(2E)-2-Methyl-2-butenoyl]-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-2-butenoyl]-alpha-D-glucopyranosyl beta-D-glucopyranosyl-(1->2)-alpha-D-glucopyranoside","exact_mass":830.306,"inchikey":"PUIAUUSJWDDCLR-JBJHWARDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":853.293396,"smiles":"C/C=C(C)/C(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)\\C(C)=C\\C)O[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853609","spectrum_index":4529},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381221-01_C19H20O3_3,9-Dimethyl-8-(3-methyl-2-buten-1-yl)dibenzo[b,d]furan-1,7-diol","exact_mass":296.141,"inchikey":"WXCWCGGJYLUDJP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.14975,"smiles":"CC(C)=CCC1=C(C)C2=C(OC3=CC(=CC(=C23)O)C)C=C1O","spectrum_id":"CCMSLIB00000853611","spectrum_index":4530},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381223-01_C47H74O19_1-O-{(3beta,5xi,9xi,18xi)-3-[(2-O-Hexopyranosylpentopyranosyl)oxy]-29-hydroxy-28,29-dioxoolean-12-en-28-yl}hexopyranose","exact_mass":942.482,"inchikey":"WLZSOFWXYPEZCP-BXARTPBFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":960.511658,"smiles":"CC1(C)[C@H](CC[C@@]2(C)C1CC[C@]3(C)C2C\\C=C/4C5CC(C)(CC[C@@]5(CC[C@@]34C)C(=O)OC6OC(CO)C(O)C(O)C6O)C(O)=O)OC7OCC(O)C(O)C7OC8OC(CO)C(O)C(O)C8O","spectrum_id":"CCMSLIB00000853613","spectrum_index":4531},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381223-01_C47H74O19_1-O-{(3beta,5xi,9xi,18xi)-3-[(2-O-Hexopyranosylpentopyranosyl)oxy]-29-hydroxy-28,29-dioxoolean-12-en-28-yl}hexopyranose","exact_mass":942.482,"inchikey":"WLZSOFWXYPEZCP-BXARTPBFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":965.468323,"smiles":"CC1(C)[C@H](CC[C@@]2(C)C1CC[C@]3(C)C2C\\C=C/4C5CC(C)(CC[C@@]5(CC[C@@]34C)C(=O)OC6OC(CO)C(O)C(O)C6O)C(O)=O)OC7OCC(O)C(O)C7OC8OC(CO)C(O)C(O)C8O","spectrum_id":"CCMSLIB00000853615","spectrum_index":4532},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381225-01_C21H30O14_2,3,4,5,6-Pentahydroxycyclohexyl 4-O-(4-hydroxy-2-methoxy-6-methylbenzoyl)hexopyranoside","exact_mass":506.164,"inchikey":"XJOKJGJIQOUXDC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":507.171722,"smiles":"COC1=CC(=CC(=C1C(=O)OC2C(O)C(O)C(OC2CO)OC3C(O)C(O)C(O)C(O)C3O)C)O","spectrum_id":"CCMSLIB00000853617","spectrum_index":4533},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381225-01_C21H30O14_2,3,4,5,6-Pentahydroxycyclohexyl 4-O-(4-hydroxy-2-methoxy-6-methylbenzoyl)hexopyranoside","exact_mass":506.164,"inchikey":"XJOKJGJIQOUXDC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":529.153687,"smiles":"COC1=CC(=CC(=C1C(=O)OC2C(O)C(O)C(OC2CO)OC3C(O)C(O)C(O)C(O)C3O)C)O","spectrum_id":"CCMSLIB00000853619","spectrum_index":4534},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381285-01_C54H87NO22_Olean-12-en-28-oic acid, 16-(beta-D-glucopyranosyloxy)-3-[[O-beta-D-xylopyranosyl-(1->2)-O-alpha-L-arabinopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy]-, (3beta,5xi,9xi,16alpha,18xi)-","exact_mass":1101.57,"inchikey":"URJMGNSSKBNYIB-UTWQIWDUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1102.572144,"smiles":"CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)O[C@H]1O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7C8CC(C)(C)CC[C@@]8([C@@H](C[C@@]67C)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C(O)=O)C4(C)C","spectrum_id":"CCMSLIB00000853621","spectrum_index":4535},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381285-01_C54H87NO22_Olean-12-en-28-oic acid, 16-(beta-D-glucopyranosyloxy)-3-[[O-beta-D-xylopyranosyl-(1->2)-O-alpha-L-arabinopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy]-, (3beta,5xi,9xi,16alpha,18xi)-","exact_mass":1101.57,"inchikey":"URJMGNSSKBNYIB-UTWQIWDUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1124.554443,"smiles":"CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)O[C@H]1O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7C8CC(C)(C)CC[C@@]8([C@@H](C[C@@]67C)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C(O)=O)C4(C)C","spectrum_id":"CCMSLIB00000853623","spectrum_index":4536},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381286-01_C24H26N2O6_Acetamide, N-[(Z)-2-(acetylamino)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethenyl]-N-(2-oxo-3-phenylpropyl)-","exact_mass":438.179,"inchikey":"HATJVFBKNDNVNS-MOSHPQCFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.187683,"smiles":"COC1=C2OCOC2=CC(=C1)C\\C(=C\\NC(C)=O)N(CC(=O)CC3=CC=CC=C3)C(C)=O","spectrum_id":"CCMSLIB00000853625","spectrum_index":4537},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385149-01_C25H28O12_(2E)-3-(2-{[6-O-(3,4,5-Trimethoxybenzoyl)-beta-D-glucopyranosyl]oxy}phenyl)acrylic acid","exact_mass":520.158,"inchikey":"LIBPIQPLFSFCQV-DGVWJRTPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.164001,"smiles":"COC1=C(OC)C(=CC(=C1)C(=O)OC[C@H]2O[C@@H](OC3=CC=CC=C3\\C=C\\C(O)=O)[C@H](O)[C@@H](O)[C@@H]2O)OC","spectrum_id":"CCMSLIB00000853627","spectrum_index":4538},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385150-01_C42H44O13_(1S,2R,4S,5R,6S,7S,8R,9R,12R)-7,12-Diacetoxy-6-(acetoxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane-4,5,8-triyl tribenzoate","exact_mass":756.278,"inchikey":"MGHSCXCFVZJHPT-SHPXBDENSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.281555,"smiles":"C[C@@H]1C[C@H](OC(=O)C2=CC=CC=C2)[C@H](OC(=O)C3=CC=CC=C3)[C@@]4(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(=O)C5=CC=CC=C5)[C@@H]6[C@@H](OC(C)=O)[C@]14OC6(C)C","spectrum_id":"CCMSLIB00000853629","spectrum_index":4539},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385150-01_C42H44O13_(1S,2R,4S,5R,6S,7S,8R,9R,12R)-7,12-Diacetoxy-6-(acetoxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane-4,5,8-triyl tribenzoate","exact_mass":756.278,"inchikey":"MGHSCXCFVZJHPT-SHPXBDENSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":774.307556,"smiles":"C[C@@H]1C[C@H](OC(=O)C2=CC=CC=C2)[C@H](OC(=O)C3=CC=CC=C3)[C@@]4(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(=O)C5=CC=CC=C5)[C@@H]6[C@@H](OC(C)=O)[C@]14OC6(C)C","spectrum_id":"CCMSLIB00000853631","spectrum_index":4540},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385150-01_C42H44O13_(1S,2R,4S,5R,6S,7S,8R,9R,12R)-7,12-Diacetoxy-6-(acetoxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane-4,5,8-triyl tribenzoate","exact_mass":756.278,"inchikey":"MGHSCXCFVZJHPT-SHPXBDENSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":779.263611,"smiles":"C[C@@H]1C[C@H](OC(=O)C2=CC=CC=C2)[C@H](OC(=O)C3=CC=CC=C3)[C@@]4(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(=O)C5=CC=CC=C5)[C@@H]6[C@@H](OC(C)=O)[C@]14OC6(C)C","spectrum_id":"CCMSLIB00000853633","spectrum_index":4541},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385157-01_C21H26N2O2_Ibogamine-18-carboxylic acid, methyl ester","exact_mass":338.199,"inchikey":"NVVDQMVGALBDGE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.20694,"smiles":"CCC1CC2CN3CCC4=C([NH]C5=CC=CC=C45)C(C2)(C13)C(=O)OC","spectrum_id":"CCMSLIB00000853635","spectrum_index":4542},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386006-01_C26H34O12_(S)-(4-Hydroxy-3-methoxyphenyl)[(3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methyl beta-D-glucopyranoside","exact_mass":538.205,"inchikey":"WMABCPOXSNGIJO-KBNLUAPZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.197815,"smiles":"COC1=CC(=CC=C1O)[C@H]2OC[C@H]([C@@H]2CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C4=CC(=C(O)C=C4)OC","spectrum_id":"CCMSLIB00000853637","spectrum_index":4543},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386007-01_C33H48O10_(2alpha,5alpha,9alpha,10beta,14beta)-2,5,9,10-Tetraacetoxytaxa-4(20),11-dien-14-yl 2-methylbutanoate","exact_mass":604.325,"inchikey":"NDUFGVRVJKHNKE-CFBDZCFDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":627.316589,"smiles":"CCC(C)C(=O)O[C@H]1CC(=C2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@H]3[C@H](OC(C)=O)[C@H]1C2(C)C)C","spectrum_id":"CCMSLIB00000853639","spectrum_index":4544},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386007-01_C33H48O10_(2alpha,5alpha,9alpha,10beta,14beta)-2,5,9,10-Tetraacetoxytaxa-4(20),11-dien-14-yl 2-methylbutanoate","exact_mass":604.325,"inchikey":"NDUFGVRVJKHNKE-CFBDZCFDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":643.290466,"smiles":"CCC(C)C(=O)O[C@H]1CC(=C2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@H]3[C@H](OC(C)=O)[C@H]1C2(C)C)C","spectrum_id":"CCMSLIB00000853641","spectrum_index":4545},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386008-01_C29H44O8_Card-20(22)-enolide, 3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-14-hydroxy-, (3beta,9xi)-","exact_mass":520.304,"inchikey":"WQMLFJWIKARBFW-KZENVZPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.313416,"smiles":"C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@@H]4C3CC[C@]5(C)[C@H](CC[C@]45O)/C6=C/C(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853643","spectrum_index":4546},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386008-01_C29H44O8_Card-20(22)-enolide, 3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-14-hydroxy-, (3beta,9xi)-","exact_mass":520.304,"inchikey":"WQMLFJWIKARBFW-KZENVZPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.303375,"smiles":"C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@@H]4C3CC[C@]5(C)[C@H](CC[C@]45O)/C6=C/C(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853645","spectrum_index":4547},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386008-01_C29H44O8_Card-20(22)-enolide, 3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-14-hydroxy-, (3beta,9xi)-","exact_mass":520.304,"inchikey":"WQMLFJWIKARBFW-KZENVZPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.298157,"smiles":"C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@@H]4C3CC[C@]5(C)[C@H](CC[C@]45O)/C6=C/C(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000853647","spectrum_index":4548},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386009-01_C19H30O9_(3E)-4-(8-Hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-buten-2-yl beta-D-glucopyranoside","exact_mass":402.189,"inchikey":"AQDQRSAVDNFBEA-HKMVGJDTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.180878,"smiles":"CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C=C/C2(O)C3(C)COC2(C)CC(=O)C3","spectrum_id":"CCMSLIB00000853649","spectrum_index":4549},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386010-01_C24H36O15_Benzyl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->6)]-beta-D-glucopyranoside","exact_mass":564.205,"inchikey":"RNYROHPATJSIAO-LGLSMWBYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.214783,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)O[C@H]2OCC4=CC=CC=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853651","spectrum_index":4550},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386010-01_C24H36O15_Benzyl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->6)]-beta-D-glucopyranoside","exact_mass":564.205,"inchikey":"RNYROHPATJSIAO-LGLSMWBYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":582.241089,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)O[C@H]2OCC4=CC=CC=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853653","spectrum_index":4551},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386010-01_C24H36O15_Benzyl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->6)]-beta-D-glucopyranoside","exact_mass":564.205,"inchikey":"RNYROHPATJSIAO-LGLSMWBYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":587.196716,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)O[C@H]2OCC4=CC=CC=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853655","spectrum_index":4552},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386011-01_C35H44O12_(1S,2S,3aR,4S,5R,6E,10R,11S,13R,13aR)-4,10,11,13-Tetraacetoxy-3a-hydroxy-2,5,8,8-tetramethyl-12-methylene-9-oxo-2,3,3a,4,5,8,9,10,11,12,13,13a-dodecahydro-1H-cyclopenta[12]annulen-1-yl benzoate","exact_mass":656.283,"inchikey":"RWCCSDWQXFKGJW-QSRZUSGVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":639.28302,"smiles":"C[C@H]1C[C@]2(O)[C@@H](OC(C)=O)[C@H](C)\\C=C\\C(C)(C)C(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@H]1OC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000853657","spectrum_index":4553},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386011-01_C35H44O12_(1S,2S,3aR,4S,5R,6E,10R,11S,13R,13aR)-4,10,11,13-Tetraacetoxy-3a-hydroxy-2,5,8,8-tetramethyl-12-methylene-9-oxo-2,3,3a,4,5,8,9,10,11,12,13,13a-dodecahydro-1H-cyclopenta[12]annulen-1-yl benzoate","exact_mass":656.283,"inchikey":"RWCCSDWQXFKGJW-QSRZUSGVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":674.319946,"smiles":"C[C@H]1C[C@]2(O)[C@@H](OC(C)=O)[C@H](C)\\C=C\\C(C)(C)C(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@H]1OC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000853659","spectrum_index":4554},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386011-01_C35H44O12_(1S,2S,3aR,4S,5R,6E,10R,11S,13R,13aR)-4,10,11,13-Tetraacetoxy-3a-hydroxy-2,5,8,8-tetramethyl-12-methylene-9-oxo-2,3,3a,4,5,8,9,10,11,12,13,13a-dodecahydro-1H-cyclopenta[12]annulen-1-yl benzoate","exact_mass":656.283,"inchikey":"RWCCSDWQXFKGJW-QSRZUSGVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":679.274963,"smiles":"C[C@H]1C[C@]2(O)[C@@H](OC(C)=O)[C@H](C)\\C=C\\C(C)(C)C(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@H]1OC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000853661","spectrum_index":4555},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386012-01_C24H42O11_beta-D-Glucopyranoside, (1S,4R,5R)-4-[(1E,3R)-3-hydroxy-1-buten-1-yl]-3,3,5-trimethylcyclohexyl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":506.273,"inchikey":"GAXDEJOVNFLJRV-ZEYQJDOXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":529.263733,"smiles":"C[C@@H](O)/C=C/[C@H]1[C@H](C)C[C@@H](CC1(C)C)O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000853663","spectrum_index":4556},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386015-01_C32H44O8_Estra-1,5-diene-3,11-dione, 17-[(1R,3E)-1-(acetyloxy)-5-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2,16-dihydroxy-4,4,9,14-tetramethyl-, (9beta,10alpha,16alpha,17beta)-","exact_mass":556.304,"inchikey":"SSUMVVHRTRQNRG-MUYMLXPFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":574.340271,"smiles":"CC(=O)O[C@](C)([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C/C=C/4[C@@H](/C=C(/O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)C(=O)\\C=C\\C(C)(C)O","spectrum_id":"CCMSLIB00000853665","spectrum_index":4557},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386015-01_C32H44O8_Estra-1,5-diene-3,11-dione, 17-[(1R,3E)-1-(acetyloxy)-5-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2,16-dihydroxy-4,4,9,14-tetramethyl-, (9beta,10alpha,16alpha,17beta)-","exact_mass":556.304,"inchikey":"SSUMVVHRTRQNRG-MUYMLXPFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.296082,"smiles":"CC(=O)O[C@](C)([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C/C=C/4[C@@H](/C=C(/O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)C(=O)\\C=C\\C(C)(C)O","spectrum_id":"CCMSLIB00000853667","spectrum_index":4558},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168971-02_C17H20O9_(1R,3R,4S,5R)-1,3,4-Trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid","exact_mass":368.111,"inchikey":"RAGZUCNPTLULOL-KQJPBSFVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.120117,"smiles":"COC1=C(O)C=CC(=C1)\\C=C\\C(=O)O[C@@H]2C[C@](O)(C[C@@H](O)[C@@H]2O)C(O)=O","spectrum_id":"CCMSLIB00000853669","spectrum_index":4559},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168971-02_C17H20O9_(1R,3R,4S,5R)-1,3,4-Trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid","exact_mass":368.111,"inchikey":"RAGZUCNPTLULOL-KQJPBSFVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.101776,"smiles":"COC1=C(O)C=CC(=C1)\\C=C\\C(=O)O[C@@H]2C[C@](O)(C[C@@H](O)[C@@H]2O)C(O)=O","spectrum_id":"CCMSLIB00000853671","spectrum_index":4560},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169076-02_C35H50O16_beta-D-Glucopyranoside, 5-(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pentyl 2-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":726.31,"inchikey":"ZYZHMHXSPPAVCD-HKXMFVAESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":727.317627,"smiles":"OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCC3=CC=C(O)C=C3)CCC4=CC=C(O)C=C4)[C@H](O[C@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000853673","spectrum_index":4561},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169076-02_C35H50O16_beta-D-Glucopyranoside, 5-(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pentyl 2-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":726.31,"inchikey":"ZYZHMHXSPPAVCD-HKXMFVAESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":744.34375,"smiles":"OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCC3=CC=C(O)C=C3)CCC4=CC=C(O)C=C4)[C@H](O[C@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000853675","spectrum_index":4562},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169076-02_C35H50O16_beta-D-Glucopyranoside, 5-(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pentyl 2-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":726.31,"inchikey":"ZYZHMHXSPPAVCD-HKXMFVAESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":749.298645,"smiles":"OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCC3=CC=C(O)C=C3)CCC4=CC=C(O)C=C4)[C@H](O[C@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000853677","spectrum_index":4563},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169403-02_C35H44O18_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[2,3-di-O-acetyl-6-deoxy-4-O-[(2E)-3-(4-methoxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl","exact_mass":752.253,"inchikey":"BARAUATXLYPTGX-MLFNGFKZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":770.286072,"smiles":"COC1=CC=C(\\C=C\\C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@@H]4\\C=C/O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4[C@@]6(CO)O[C@@H]36)[C@H](OC(C)=O)[C@@H]2OC(C)=O)C=C1","spectrum_id":"CCMSLIB00000853679","spectrum_index":4564},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169403-02_C35H44O18_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[2,3-di-O-acetyl-6-deoxy-4-O-[(2E)-3-(4-methoxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl","exact_mass":752.253,"inchikey":"BARAUATXLYPTGX-MLFNGFKZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":775.241577,"smiles":"COC1=CC=C(\\C=C\\C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@@H]4\\C=C/O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4[C@@]6(CO)O[C@@H]36)[C@H](OC(C)=O)[C@@H]2OC(C)=O)C=C1","spectrum_id":"CCMSLIB00000853681","spectrum_index":4565},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169681-03_C22H26O10_[(1S)-1-(beta-D-Glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate","exact_mass":450.153,"inchikey":"LPLWWIHUJXWQSS-VIOLRBFZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.15155,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/C3C(O)\\C=C(\\COC(=O)C4=CC=CC=C4)C23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853683","spectrum_index":4566},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169681-03_C22H26O10_[(1S)-1-(beta-D-Glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate","exact_mass":450.153,"inchikey":"LPLWWIHUJXWQSS-VIOLRBFZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":473.143951,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/C3C(O)\\C=C(\\COC(=O)C4=CC=CC=C4)C23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853685","spectrum_index":4567},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178483-05_C26H30O8_1H,3H-Oxireno[c]pyrano[4'',3'':2',3']furo[3',4':5,6]naphtho[1,2-d]pyran-3,8,10(6H,9aH)-trione, 12-(3-furanyl)decahydro-6,6,8a,12a-tetramethyl-, (4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-","exact_mass":470.194,"inchikey":"KBDSLGBFQAGHBE-MSGMIQHVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.2034,"smiles":"CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]4CC[C@@]5(C)[C@@H](OC(=O)[C@H]6O[C@@]56[C@]4(C)C(=O)C[C@@H]13)C7=COC=C7","spectrum_id":"CCMSLIB00000853687","spectrum_index":4568},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180676-03_C20H36O3_1-Naphthalenepentanoic acid, decahydro-2-hydroxy-beta,2,5,5,8a-pentamethyl-, (betaS,1R,2R,8aS)-","exact_mass":324.266,"inchikey":"KHCCSRVJJDOANA-ZOSGAXDSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.275116,"smiles":"C[C@@H](CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)CC(O)=O","spectrum_id":"CCMSLIB00000853689","spectrum_index":4569},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180676-03_C20H36O3_1-Naphthalenepentanoic acid, decahydro-2-hydroxy-beta,2,5,5,8a-pentamethyl-, (betaS,1R,2R,8aS)-","exact_mass":324.266,"inchikey":"KHCCSRVJJDOANA-ZOSGAXDSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.265045,"smiles":"C[C@@H](CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)CC(O)=O","spectrum_id":"CCMSLIB00000853691","spectrum_index":4570},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180676-03_C20H36O3_1-Naphthalenepentanoic acid, decahydro-2-hydroxy-beta,2,5,5,8a-pentamethyl-, (betaS,1R,2R,8aS)-","exact_mass":324.266,"inchikey":"KHCCSRVJJDOANA-ZOSGAXDSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.258148,"smiles":"C[C@@H](CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)CC(O)=O","spectrum_id":"CCMSLIB00000853693","spectrum_index":4571},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180680-03_C20H28O2_(5beta,8alpha,10alpha)-Kaura-9(11),16-dien-18-oic acid","exact_mass":300.209,"inchikey":"RJIPNPHMQGDUBW-LGEIONFXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.218109,"smiles":"C[C@]1(CCC[C@]/2(C)[C@@H]1CC[C@@]34C[C@H](C\\C=C23)C(=C)C4)C(O)=O","spectrum_id":"CCMSLIB00000853695","spectrum_index":4572},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384499-01_C18H22O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy-","exact_mass":398.121,"inchikey":"YVYNMIFMUKDFEC-AXOAAPQKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.112701,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=CC3=C1OC=C3)CCC(O)=O","spectrum_id":"CCMSLIB00000853697","spectrum_index":4573},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168932-02_C18H22O10_5-Benzofuranpropanoic acid, 4-(beta-D-glucopyranosyloxy)-6-methoxy-","exact_mass":398.121,"inchikey":"OLFRCQFNQXYDGW-NDOBWRGRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.106812,"smiles":"COC1=C(CCC(O)=O)C(=C2C=COC2=C1)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000853698","spectrum_index":4574},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169614-02_C24H21N5O4_(1S,3S,12S,14R,27S)-12-Hydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1~2,5~.0~6,11~.0~12,27~.0~15,24~.0~17,22~]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione","exact_mass":443.159,"inchikey":"YYLAARMDRFESOL-CVAYNVNESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.162964,"smiles":"C[C@@H]1N2[C@H]3N(C1=O)C4=C(C=CC=C4)[C@@]3(O)C[C@H]5N6C(=O)C7=C(C=CC=C7)\\N=C6/[C@@]2(C)NC5=O","spectrum_id":"CCMSLIB00000853700","spectrum_index":4575},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169889-02_C15H24O3_2-[(2R,4aR,8R,8aR)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]acrylic acid","exact_mass":252.173,"inchikey":"FXKCXGBBUBCRPU-QHSBEEBCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.177658,"smiles":"C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000853705","spectrum_index":4576},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169889-02_C15H24O3_2-[(2R,4aR,8R,8aR)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]acrylic acid","exact_mass":252.173,"inchikey":"FXKCXGBBUBCRPU-QHSBEEBCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.167053,"smiles":"C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000853706","spectrum_index":4577},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169889-02_C15H24O3_2-[(2R,4aR,8R,8aR)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]acrylic acid","exact_mass":252.173,"inchikey":"FXKCXGBBUBCRPU-QHSBEEBCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.159485,"smiles":"C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000853708","spectrum_index":4578},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380886-01_C26H40O12_","exact_mass":544.252,"inchikey":"JCNYBRAUXUDAEQ-MKMNVTDBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.254028,"smiles":"CC(CCO)CC/C=C(C)/C(=O)OC1(C)CCC\\2C1C(O\\C=C2C(O)=O)OC3OC(CO)C(O)C(O)C3O","spectrum_id":"CCMSLIB00000853710","spectrum_index":4579},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380886-01_C26H40O12_","exact_mass":544.252,"inchikey":"JCNYBRAUXUDAEQ-MKMNVTDBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":567.235535,"smiles":"CC(CCO)CC/C=C(C)/C(=O)OC1(C)CCC\\2C1C(O\\C=C2C(O)=O)OC3OC(CO)C(O)C(O)C3O","spectrum_id":"CCMSLIB00000853713","spectrum_index":4580},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380890-01_C26H34O9_12H-3,5a-Epoxy-5H-furo[3,4-i]oxepino[4,3-a]xanthen-12-one, 1,2,3,6,7,7a,10,14,14a,14b-decahydro-6-hydroxy-5-(hydroxymethyl)-3,13-dimethoxy-5,7a,9,14b-tetramethyl-","exact_mass":490.22,"inchikey":"LCDHGZGHZZLGHK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":491.223053,"smiles":"COC1=C2CC3C(C)(CC(O)C45OC(CCC34C)(OC)OC5(C)CO)OC2=C(C)C6=C1C(=O)OC6","spectrum_id":"CCMSLIB00000853715","spectrum_index":4581},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380891-01_C24H30O5_2,4-Octadienoic acid, 6-methyl-, (1R,2S,7R,8aR)-7-(1-formylethenyl)-1,2,6,7,8,8a-hexahydro-7-hydroxy-1,8a-dimethyl-6-oxo-2-naphthalenyl ester, (2E,4E,6R)-","exact_mass":398.209,"inchikey":"GIUVFWDLNFDKHT-PLYMMSKXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.213715,"smiles":"CC[C@@H](C)/C=C/C=C/C(=O)O[C@H]1/C=C\\C2=C\\C(=O)[C@@](O)(C[C@]2(C)[C@H]1C)C(=C)C=O","spectrum_id":"CCMSLIB00000853716","spectrum_index":4582},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380891-01_C24H30O5_2,4-Octadienoic acid, 6-methyl-, (1R,2S,7R,8aR)-7-(1-formylethenyl)-1,2,6,7,8,8a-hexahydro-7-hydroxy-1,8a-dimethyl-6-oxo-2-naphthalenyl ester, (2E,4E,6R)-","exact_mass":398.209,"inchikey":"GIUVFWDLNFDKHT-PLYMMSKXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.194794,"smiles":"CC[C@@H](C)/C=C/C=C/C(=O)O[C@H]1/C=C\\C2=C\\C(=O)[C@@](O)(C[C@]2(C)[C@H]1C)C(=C)C=O","spectrum_id":"CCMSLIB00000853718","spectrum_index":4583},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169107-02_C33H42O17_(1aS,1bS,2S,5aR,6S,6aS)-6-({2-O-Acetyl-6-deoxy-3-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-L-glucopyranoside","exact_mass":710.242,"inchikey":"ZRTBPOAMWLLGTO-BIUINBLHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":711.251404,"smiles":"COC1=CC=C(\\C=C\\C(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@H]3[C@@H]4\\C=C/O[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@@H]4[C@@]6(CO)O[C@@H]36)[C@@H]2OC(C)=O)C=C1","spectrum_id":"CCMSLIB00000853721","spectrum_index":4584},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347646-02_C15H24O10_4a,5,7-Trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside","exact_mass":364.137,"inchikey":"XUWSHXDEJOOIND-MEVVXUJLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.129028,"smiles":"CC1(O)CC(O)C2(O)\\C=C/OC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C12","spectrum_id":"CCMSLIB00000853723","spectrum_index":4585},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347703-02_C30H44O5_Lup-20(29)-ene-27,28-dioic acid, 3-oxo-, (5xi,9xi,18xi)-","exact_mass":484.319,"inchikey":"KLJFTUNIPQRKKH-XPBAGFQASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.329193,"smiles":"CC(=C)[C@@H]1CC[C@@]2(CC[C@@]3([C@H](CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00000853724","spectrum_index":4586},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385777-01_C19H32O8_(2R)-4-[(1S)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-2-butanyl beta-D-glucopyranoside","exact_mass":388.21,"inchikey":"CZYPGTRKJFYXLT-SUHXYMONSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.220032,"smiles":"C[C@H](CC[C@@]1(O)\\C(=C/C(=O)CC1(C)C)C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000853726","spectrum_index":4587},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385777-01_C19H32O8_(2R)-4-[(1S)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-2-butanyl beta-D-glucopyranoside","exact_mass":388.21,"inchikey":"CZYPGTRKJFYXLT-SUHXYMONSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.202087,"smiles":"C[C@H](CC[C@@]1(O)\\C(=C/C(=O)CC1(C)C)C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000853728","spectrum_index":4588},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385783-01_C14H20O7_4-(2-Hydroxyethyl)phenyl beta-D-glucopyranoside","exact_mass":300.121,"inchikey":"OJDSCNUKKOKOQJ-RKQHYHRCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.157715,"smiles":"OCCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000853730","spectrum_index":4589},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385783-01_C14H20O7_4-(2-Hydroxyethyl)phenyl beta-D-glucopyranoside","exact_mass":300.121,"inchikey":"OJDSCNUKKOKOQJ-RKQHYHRCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.112488,"smiles":"OCCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000853732","spectrum_index":4590},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385789-01_C26H42O9_5,6,16-Trihydroxygrayanotox-10-en-3-yl hexopyranoside","exact_mass":498.283,"inchikey":"ANXMAYKAWZAHMB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.293427,"smiles":"CC1(O)CC23CC(O)C4(O)C(CC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C(=C)C2CCC1C3","spectrum_id":"CCMSLIB00000853735","spectrum_index":4591},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385789-01_C26H42O9_5,6,16-Trihydroxygrayanotox-10-en-3-yl hexopyranoside","exact_mass":498.283,"inchikey":"ANXMAYKAWZAHMB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.282776,"smiles":"CC1(O)CC23CC(O)C4(O)C(CC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C(=C)C2CCC1C3","spectrum_id":"CCMSLIB00000853737","spectrum_index":4592},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385789-01_C26H42O9_5,6,16-Trihydroxygrayanotox-10-en-3-yl hexopyranoside","exact_mass":498.283,"inchikey":"ANXMAYKAWZAHMB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.275452,"smiles":"CC1(O)CC23CC(O)C4(O)C(CC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C(=C)C2CCC1C3","spectrum_id":"CCMSLIB00000853738","spectrum_index":4593},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385790-01_C19H20O6_(3S,5S,5a'S,7'S,8'S,8a'R)-5-(3-Furyl)-8'-hydroxy-7'-methyl-3',4,5,5',5a',7',8',8a'-octahydrospiro[furan-3,6'-naphtho[1,8-bc]furan]-2,2'(4'H)-dione","exact_mass":344.126,"inchikey":"AONLJCCUYGGOSW-PJERILTQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.136444,"smiles":"C[C@@H]1[C@H](O)[C@@H]\\2OC(=O)\\C3=C2[C@H](CCC3)[C@@]14C[C@H](OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000853740","spectrum_index":4594},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385790-01_C19H20O6_(3S,5S,5a'S,7'S,8'S,8a'R)-5-(3-Furyl)-8'-hydroxy-7'-methyl-3',4,5,5',5a',7',8',8a'-octahydrospiro[furan-3,6'-naphtho[1,8-bc]furan]-2,2'(4'H)-dione","exact_mass":344.126,"inchikey":"AONLJCCUYGGOSW-PJERILTQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.162445,"smiles":"C[C@@H]1[C@H](O)[C@@H]\\2OC(=O)\\C3=C2[C@H](CCC3)[C@@]14C[C@H](OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000853742","spectrum_index":4595},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385790-01_C19H20O6_(3S,5S,5a'S,7'S,8'S,8a'R)-5-(3-Furyl)-8'-hydroxy-7'-methyl-3',4,5,5',5a',7',8',8a'-octahydrospiro[furan-3,6'-naphtho[1,8-bc]furan]-2,2'(4'H)-dione","exact_mass":344.126,"inchikey":"AONLJCCUYGGOSW-PJERILTQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.11795,"smiles":"C[C@@H]1[C@H](O)[C@@H]\\2OC(=O)\\C3=C2[C@H](CCC3)[C@@]14C[C@H](OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000853744","spectrum_index":4596},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385793-01_C21H30O9_Azuleno[4,5-b]furan-2(3H)-one, 8-(beta-D-glucopyranosyloxy)decahydro-6-hydroxy-6-methyl-3,9-bis(methylene)-, (3aS,6R,6aR,8S,9aR,9bS)-","exact_mass":426.189,"inchikey":"FTIDKIAZUNXNCJ-WBYQCALVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.19931,"smiles":"C[C@@]1(O)CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]3[C@H]1C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=C","spectrum_id":"CCMSLIB00000853746","spectrum_index":4597},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385793-01_C21H30O9_Azuleno[4,5-b]furan-2(3H)-one, 8-(beta-D-glucopyranosyloxy)decahydro-6-hydroxy-6-methyl-3,9-bis(methylene)-, (3aS,6R,6aR,8S,9aR,9bS)-","exact_mass":426.189,"inchikey":"FTIDKIAZUNXNCJ-WBYQCALVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.181183,"smiles":"C[C@@]1(O)CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]3[C@H]1C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=C","spectrum_id":"CCMSLIB00000853749","spectrum_index":4598},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169934-02_C25H32O13_2H-Pyran-4-acetic acid, 2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-5-(methoxycarbonyl)-, 2-(4-hydroxyphenyl)ethyl ester, (2S,3Z,4S)-","exact_mass":540.184,"inchikey":"AHTRGGWSBFOEEG-BXDNVMCDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":541.192017,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\\C(=C/CO)[C@@H]1CC(=O)OCCC3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000853750","spectrum_index":4599},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169934-02_C25H32O13_2H-Pyran-4-acetic acid, 2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-5-(methoxycarbonyl)-, 2-(4-hydroxyphenyl)ethyl ester, (2S,3Z,4S)-","exact_mass":540.184,"inchikey":"AHTRGGWSBFOEEG-BXDNVMCDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":558.218872,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\\C(=C/CO)[C@@H]1CC(=O)OCCC3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000853752","spectrum_index":4600},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169934-02_C25H32O13_2H-Pyran-4-acetic acid, 2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-5-(methoxycarbonyl)-, 2-(4-hydroxyphenyl)ethyl ester, (2S,3Z,4S)-","exact_mass":540.184,"inchikey":"AHTRGGWSBFOEEG-BXDNVMCDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.173401,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\\C(=C/CO)[C@@H]1CC(=O)OCCC3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000853754","spectrum_index":4601},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347378-02_C19H22O5_Spiro[furan-3(2H),1'(7'H)-naphthalene]-2,7'-dione, 5-(3-furanyl)-2',3',4,4',4'a,5,8',8'a-octahydro-4'a-hydroxy-2',5'-dimethyl-","exact_mass":330.147,"inchikey":"DLHZVTVUHATYAU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.155151,"smiles":"CC1CCC\\2(O)C(CC(=O)\\C=C2C)C13CC(OC3=O)C4=COC=C4","spectrum_id":"CCMSLIB00000853756","spectrum_index":4602},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347771-02_C36H58O12_beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,9xi,18xi,19alpha)-2,3,19,23,24-pentahydroxy-28-oxoolean-12-en-28-yl]-","exact_mass":682.393,"inchikey":"FSLDBYNJYAUPDI-FIWXFAFXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":683.398682,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)C5CC[C@@]34C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000853759","spectrum_index":4603},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347771-02_C36H58O12_beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,9xi,18xi,19alpha)-2,3,19,23,24-pentahydroxy-28-oxoolean-12-en-28-yl]-","exact_mass":682.393,"inchikey":"FSLDBYNJYAUPDI-FIWXFAFXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":705.380798,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)C5CC[C@@]34C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000853760","spectrum_index":4604},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380735-01_C15H22O4_Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9,9a-dihydroxy-3,4a,5-trimethyl-, (4aR,5S)-","exact_mass":266.152,"inchikey":"WVFNARDJAJTRAI-ZRGNYTFBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.159943,"smiles":"C[C@H]1CCCC2C(O)C3(O)OC(=O)/C(=C3/C[C@]12C)C","spectrum_id":"CCMSLIB00000853762","spectrum_index":4605},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380735-01_C15H22O4_Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9,9a-dihydroxy-3,4a,5-trimethyl-, (4aR,5S)-","exact_mass":266.152,"inchikey":"WVFNARDJAJTRAI-ZRGNYTFBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.149353,"smiles":"C[C@H]1CCCC2C(O)C3(O)OC(=O)/C(=C3/C[C@]12C)C","spectrum_id":"CCMSLIB00000853764","spectrum_index":4606},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380736-01_C21H30O3_(2E,4E)-5-{(1S,2R,4aS,5S,8S,8aS)-2-[(2E)-2-Buten-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}-2,4-pentadienoic acid","exact_mass":330.219,"inchikey":"KNDPLJZJPQWOMQ-FDTXVGEPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.228271,"smiles":"C/C=C(C)/[C@H]\\1[C@@H](\\C=C\\C=C\\C(O)=O)[C@@H]2[C@@H](C)CC[C@H](O)[C@@H]2\\C=C1C","spectrum_id":"CCMSLIB00000853767","spectrum_index":4607},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380736-01_C21H30O3_(2E,4E)-5-{(1S,2R,4aS,5S,8S,8aS)-2-[(2E)-2-Buten-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}-2,4-pentadienoic acid","exact_mass":330.219,"inchikey":"KNDPLJZJPQWOMQ-FDTXVGEPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.217499,"smiles":"C/C=C(C)/[C@H]\\1[C@@H](\\C=C\\C=C\\C(O)=O)[C@@H]2[C@@H](C)CC[C@H](O)[C@@H]2\\C=C1C","spectrum_id":"CCMSLIB00000853769","spectrum_index":4608},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380737-01_C17H26O11_Methyl (1S,4aS,6R,7R,7aR)-1-(beta-D-glucopyranosyloxy)-5,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":406.148,"inchikey":"QDEYKGKBMCIYCT-PHINXLAUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.155457,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)C(O)[C@H]13","spectrum_id":"CCMSLIB00000853770","spectrum_index":4609},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380737-01_C17H26O11_Methyl (1S,4aS,6R,7R,7aR)-1-(beta-D-glucopyranosyloxy)-5,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":406.148,"inchikey":"QDEYKGKBMCIYCT-PHINXLAUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.136902,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)C(O)[C@H]13","spectrum_id":"CCMSLIB00000853772","spectrum_index":4610},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380740-01_C18H24O4_9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-2,6-dihydroxy-7-methoxy-1,1,4a-trimethyl-","exact_mass":304.167,"inchikey":"JKTSDLANZJEZMK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.175964,"smiles":"COC1=CC2=C(C=C1O)C3(C)CCC(O)C(C)(C)C3CC2=O","spectrum_id":"CCMSLIB00000853774","spectrum_index":4611},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00093889-13_C15H21N3O2_Antilirium","exact_mass":275.163,"inchikey":"PIJVFDBKTWXHHD-HIFRSBDPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.170959,"smiles":"CNC(=O)OC1=CC2=C(C=C1)N(C)[C@H]3N(C)CC[C@@]23C","spectrum_id":"CCMSLIB00000853777","spectrum_index":4612},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168799-03_C21H26O6_2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)-1,4,4a,5,6,6a,7,10,10a,10b-decahydro-7-hydroxy-6a,10b-dimethyl-4-oxo-, methyl ester, (2S,4aS,6aR,7R,10aR,10bR)-","exact_mass":374.173,"inchikey":"WWNYZTBMVRRLJM-GOLBOHCDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.180969,"smiles":"COC(=O)[C@@]1(O)\\C=C/C[C@@H]2[C@@]3(C)C[C@H](OC(=O)[C@H]3CC[C@@]12C)C4=COC=C4","spectrum_id":"CCMSLIB00000853779","spectrum_index":4613},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168799-03_C21H26O6_2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)-1,4,4a,5,6,6a,7,10,10a,10b-decahydro-7-hydroxy-6a,10b-dimethyl-4-oxo-, methyl ester, (2S,4aS,6aR,7R,10aR,10bR)-","exact_mass":374.173,"inchikey":"WWNYZTBMVRRLJM-GOLBOHCDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.170319,"smiles":"COC(=O)[C@@]1(O)\\C=C/C[C@@H]2[C@@]3(C)C[C@H](OC(=O)[C@H]3CC[C@@]12C)C4=COC=C4","spectrum_id":"CCMSLIB00000853781","spectrum_index":4614},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168799-03_C21H26O6_2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)-1,4,4a,5,6,6a,7,10,10a,10b-decahydro-7-hydroxy-6a,10b-dimethyl-4-oxo-, methyl ester, (2S,4aS,6aR,7R,10aR,10bR)-","exact_mass":374.173,"inchikey":"WWNYZTBMVRRLJM-GOLBOHCDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.162842,"smiles":"COC(=O)[C@@]1(O)\\C=C/C[C@@H]2[C@@]3(C)C[C@H](OC(=O)[C@H]3CC[C@@]12C)C4=COC=C4","spectrum_id":"CCMSLIB00000853782","spectrum_index":4615},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169080-02_C15H18O3_Azuleno[6,5-b]furan-2,6(3H,4H)-dione, 3a,7,7a,8,9,9a-hexahydro-5,8-dimethyl-3-methylene-, (3aR,7aS,8S,9aR)-","exact_mass":246.126,"inchikey":"UQNONRHPSCIIJO-SKVKQCJPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.133316,"smiles":"C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C\\C3=C(/C)C(=O)C[C@@H]13","spectrum_id":"CCMSLIB00000853785","spectrum_index":4616},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169080-02_C15H18O3_Azuleno[6,5-b]furan-2,6(3H,4H)-dione, 3a,7,7a,8,9,9a-hexahydro-5,8-dimethyl-3-methylene-, (3aR,7aS,8S,9aR)-","exact_mass":246.126,"inchikey":"UQNONRHPSCIIJO-SKVKQCJPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.115356,"smiles":"C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C\\C3=C(/C)C(=O)C[C@@H]13","spectrum_id":"CCMSLIB00000853787","spectrum_index":4617},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169906-03_C30H36O9_2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid, 5-(acetyloxy)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-6-(methoxycarbonyl)-1,6,9a,10a-tetramethyl-9-oxo-, methyl ester, (2R,3aR,4aS,5R,6R,9aR,10S,10aR)-","exact_mass":540.236,"inchikey":"NHOIBRJOQAYBJT-WILUFPLZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":541.242432,"smiles":"COC(=O)C[C@H]1[C@@]/2(C)[C@H](O[C@@H]3C[C@H](\\C(=C23)C)C4=COC=C4)[C@H](OC(C)=O)C5[C@@](C)(\\C=C/C(=O)[C@]15C)C(=O)OC","spectrum_id":"CCMSLIB00000853788","spectrum_index":4618},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169906-03_C30H36O9_2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid, 5-(acetyloxy)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-6-(methoxycarbonyl)-1,6,9a,10a-tetramethyl-9-oxo-, methyl ester, (2R,3aR,4aS,5R,6R,9aR,10S,10aR)-","exact_mass":540.236,"inchikey":"NHOIBRJOQAYBJT-WILUFPLZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":558.268616,"smiles":"COC(=O)C[C@H]1[C@@]/2(C)[C@H](O[C@@H]3C[C@H](\\C(=C23)C)C4=COC=C4)[C@H](OC(C)=O)C5[C@@](C)(\\C=C/C(=O)[C@]15C)C(=O)OC","spectrum_id":"CCMSLIB00000853790","spectrum_index":4619},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169906-03_C30H36O9_2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid, 5-(acetyloxy)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-6-(methoxycarbonyl)-1,6,9a,10a-tetramethyl-9-oxo-, methyl ester, (2R,3aR,4aS,5R,6R,9aR,10S,10aR)-","exact_mass":540.236,"inchikey":"NHOIBRJOQAYBJT-WILUFPLZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.223877,"smiles":"COC(=O)C[C@H]1[C@@]/2(C)[C@H](O[C@@H]3C[C@H](\\C(=C23)C)C4=COC=C4)[C@H](OC(C)=O)C5[C@@](C)(\\C=C/C(=O)[C@]15C)C(=O)OC","spectrum_id":"CCMSLIB00000853792","spectrum_index":4620},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179767-02_C38H54O13_Estra-1,5-diene-3,11-dione, 17-[(1R,3E)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2-(beta-D-glucopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl-, (9beta,10alpha,17beta)-","exact_mass":718.356,"inchikey":"QKEJRKXVLGOJMB-LFPZOBASSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":736.387634,"smiles":"CC(=O)OC(C)(C)\\C=C\\C(=O)[C@](C)(O)[C@H]1C(O)C[C@@]2(C)[C@@H]3C\\C=C4/[C@@H](/C=C(/O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000853794","spectrum_index":4621},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179767-02_C38H54O13_Estra-1,5-diene-3,11-dione, 17-[(1R,3E)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2-(beta-D-glucopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl-, (9beta,10alpha,17beta)-","exact_mass":718.356,"inchikey":"QKEJRKXVLGOJMB-LFPZOBASSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":741.342957,"smiles":"CC(=O)OC(C)(C)\\C=C\\C(=O)[C@](C)(O)[C@H]1C(O)C[C@@]2(C)[C@@H]3C\\C=C4/[C@@H](/C=C(/O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000853796","spectrum_index":4622},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347643-02_C30H46O3_(5xi,9xi,13xi,18xi,19beta)-3-Oxolup-20(29)-en-28-oic acid","exact_mass":454.345,"inchikey":"SLJTWDNVZKIDAU-ATEHILDVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.351929,"smiles":"CC(=C)[C@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O","spectrum_id":"CCMSLIB00000853799","spectrum_index":4623},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347643-02_C30H46O3_(5xi,9xi,13xi,18xi,19beta)-3-Oxolup-20(29)-en-28-oic acid","exact_mass":454.345,"inchikey":"SLJTWDNVZKIDAU-ATEHILDVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.342499,"smiles":"CC(=C)[C@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O","spectrum_id":"CCMSLIB00000853801","spectrum_index":4624},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385265-01_C20H27NO11_(2S)-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}(phenyl)acetonitrile","exact_mass":457.158,"inchikey":"XUCIJNAGGSZNQT-UUGBRMIUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.192657,"smiles":"OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H](C#N)C3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853803","spectrum_index":4625},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385265-01_C20H27NO11_(2S)-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}(phenyl)acetonitrile","exact_mass":457.158,"inchikey":"XUCIJNAGGSZNQT-UUGBRMIUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":480.14801,"smiles":"OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H](C#N)C3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853804","spectrum_index":4626},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180494-03_C42H66O14_1-O-[(3beta,5xi,9xi,18xi)-3-(beta-D-Glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":794.445,"inchikey":"YOSRLTNUOCHBEA-SNRHWUJASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.455688,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000853807","spectrum_index":4627},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180494-03_C42H66O14_1-O-[(3beta,5xi,9xi,18xi)-3-(beta-D-Glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":794.445,"inchikey":"YOSRLTNUOCHBEA-SNRHWUJASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":817.437256,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000853808","spectrum_index":4628},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385315-01_C54H92O23_beta-D-Glucopyranoside, (3beta,9xi,12beta,17xi)-20-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-","exact_mass":1108.6,"inchikey":"GZYPWOGIYAIIPV-BJUPWKCISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1109.608398,"smiles":"CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C3CC[C@]4(C)[C@@H]3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@@H]6CC[C@@]45C","spectrum_id":"CCMSLIB00000853811","spectrum_index":4629},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385315-01_C54H92O23_beta-D-Glucopyranoside, (3beta,9xi,12beta,17xi)-20-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-","exact_mass":1108.6,"inchikey":"GZYPWOGIYAIIPV-BJUPWKCISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1091.598267,"smiles":"CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C3CC[C@]4(C)[C@@H]3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@@H]6CC[C@@]45C","spectrum_id":"CCMSLIB00000853813","spectrum_index":4630},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385315-01_C54H92O23_beta-D-Glucopyranoside, (3beta,9xi,12beta,17xi)-20-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-","exact_mass":1108.6,"inchikey":"GZYPWOGIYAIIPV-BJUPWKCISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1131.589478,"smiles":"CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C3CC[C@]4(C)[C@@H]3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@@H]6CC[C@@]45C","spectrum_id":"CCMSLIB00000853815","spectrum_index":4631},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385316-01_C20H32O3_1-Naphthalenepentanoic acid, 3,4,4a,5,6,7,8,8a-octahydro-beta,2,5,5,8a-pentamethyl-3-oxo-, (8aS)-","exact_mass":320.235,"inchikey":"BARZJLALPXZLMN-RJGDCVCESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.227722,"smiles":"CC(CCC/1=C(C)/C(=O)CC2C(C)(C)CCC[C@]12C)CC(O)=O","spectrum_id":"CCMSLIB00000853817","spectrum_index":4632},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385320-01_C26H36O11_3-(4-{[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-propanyl]oxy}-3-methoxyphenyl)propyl 6-deoxy-alpha-L-mannopyranoside","exact_mass":524.226,"inchikey":"HZGGHVGIXDRDDH-GQEDLCMVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":507.226715,"smiles":"COC1=C(O)C=CC(=C1)C(O)C(CO)OC2=C(OC)C=C(CCCO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2","spectrum_id":"CCMSLIB00000853819","spectrum_index":4633},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385320-01_C26H36O11_3-(4-{[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-propanyl]oxy}-3-methoxyphenyl)propyl 6-deoxy-alpha-L-mannopyranoside","exact_mass":524.226,"inchikey":"HZGGHVGIXDRDDH-GQEDLCMVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":547.219482,"smiles":"COC1=C(O)C=CC(=C1)C(O)C(CO)OC2=C(OC)C=C(CCCO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2","spectrum_id":"CCMSLIB00000853820","spectrum_index":4634},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385321-01_C67H108O34_beta-D-Xylopyranose, O-beta-D-xylopyranosyl-(1->3)-O-alpha-L-arabinopyranosyl-(1->4)-O-6-deoxy-3-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,5xi,9xi,16alpha)-3-[(6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2,16-dihydroxy-28-oxoolean-12-en-28-yl]-","exact_mass":1456.67,"inchikey":"QCJUSXGOFMUXCB-HGJJLTKJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1457.670288,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2OC(=O)[C@]34CCC(C)(C)C[C@H]3C/5=C/CC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@H](CO[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)C[C@H]4O)[C@H](O)[C@H](O[C@@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]1O[C@@H]%11OC[C@H](O)[C@H](O[C@@H]%12OC[C@@H](O)[C@H](O)[C@H]%12O)[C@H]%11O","spectrum_id":"CCMSLIB00000853823","spectrum_index":4635},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385322-01_C63H102O31_6-Deoxy-alpha-D-mannopyranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-6-deoxy-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-alpha-L-mannopyranosyl-(1->2)-1-O-[(2alpha,3alpha,5xi,6beta,9xi)-3-(beta-D-glucopyranosyloxy)-2,6,23-trihydroxy-28-oxoolean-12-en-28-yl]-alpha-L-arabinopyranose","exact_mass":1354.64,"inchikey":"CSVOJBHLRRLOJX-UZSHRYPHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1337.628418,"smiles":"C[C@H]1O[C@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4OC(=O)[C@]56CCC(C)(C)C[C@H]5C/7=C/CC8[C@@]9(C)C[C@@H](O)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)CC6)[C@H](O)[C@@H]3O[C@@H]%11OC[C@](O)(CO)[C@H]%11O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853825","spectrum_index":4636},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347541-02_C42H66O15_beta-D-Glucopyranose, 1-O-[(3beta,5xi,9xi,18xi)-3-(beta-D-glucopyranuronosyloxy)-29-hydroxy-28-oxoolean-12-en-28-yl]-","exact_mass":810.44,"inchikey":"IDUNGWJLADYQNW-JSXUMIJBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":833.429199,"smiles":"CC1(CO)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000853826","spectrum_index":4637},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381718-02_C15H20O2_Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylene-, (3aS,6E,10E,11aR)-","exact_mass":232.146,"inchikey":"HRYLQFBHBWLLLL-AHNJNIBGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.15567,"smiles":"CC/1=C\\CCC(=C/[C@H]2OC(=O)C(=C)[C@@H]2CC1)/C","spectrum_id":"CCMSLIB00000853829","spectrum_index":4638},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385678-01_C27H33NO14_4,8-Dimethoxyfuro[2,3-b]quinolin-7-yl 2-O-acetyl-6-deoxy-3-O-beta-D-glucopyranosyl-alpha-L-mannopyranoside","exact_mass":595.19,"inchikey":"RHOKVADXUJGRSQ-HYUJTPQQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":596.201172,"smiles":"COC1=C2N=C3OC=CC3=C(OC)C2=CC=C1O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4OC(C)=O","spectrum_id":"CCMSLIB00000853831","spectrum_index":4639},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385678-01_C27H33NO14_4,8-Dimethoxyfuro[2,3-b]quinolin-7-yl 2-O-acetyl-6-deoxy-3-O-beta-D-glucopyranosyl-alpha-L-mannopyranoside","exact_mass":595.19,"inchikey":"RHOKVADXUJGRSQ-HYUJTPQQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":618.1828,"smiles":"COC1=C2N=C3OC=CC3=C(OC)C2=CC=C1O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4OC(C)=O","spectrum_id":"CCMSLIB00000853833","spectrum_index":4640},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385679-01_C24H28O13_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-[[(4-hydroxy-3-methoxybenzoyl)oxy]methyl]-","exact_mass":524.153,"inchikey":"RYWDJUUPROVLNV-LXFHESFISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":525.164246,"smiles":"COC1=C(O)C=CC(=C1)C(=O)OCC/2=C/CC\\3C2C(O\\C=C3C(O)=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000853835","spectrum_index":4641},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385680-01_C13H16O7_1-O-Benzoyl-beta-D-glucopyranose","exact_mass":284.09,"inchikey":"LVFCLUMIBMHAFL-HMUNZLOLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.081757,"smiles":"OC[C@H]1O[C@@H](OC(=O)C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853836","spectrum_index":4642},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385682-01_C30H48O4_(2alpha,3beta,5xi,9xi,18xi)-2,3-Dihydroxyolean-12-en-28-oic acid","exact_mass":472.355,"inchikey":"MDZKJHQSJHYOHJ-DMHJTJTCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":473.365662,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O","spectrum_id":"CCMSLIB00000853839","spectrum_index":4643},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385682-01_C30H48O4_(2alpha,3beta,5xi,9xi,18xi)-2,3-Dihydroxyolean-12-en-28-oic acid","exact_mass":472.355,"inchikey":"MDZKJHQSJHYOHJ-DMHJTJTCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.355865,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O","spectrum_id":"CCMSLIB00000853841","spectrum_index":4644},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385684-01_C12H16O8_4H-Pyran-4-one, 3-(beta-D-glucopyranosyloxy)-2-methyl-","exact_mass":288.085,"inchikey":"YGSIRXHFAUFUEJ-GPTQDWHKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.09433,"smiles":"CC/1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=O)/C=C\\O1","spectrum_id":"CCMSLIB00000853843","spectrum_index":4645},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385684-01_C12H16O8_4H-Pyran-4-one, 3-(beta-D-glucopyranosyloxy)-2-methyl-","exact_mass":288.085,"inchikey":"YGSIRXHFAUFUEJ-GPTQDWHKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.076447,"smiles":"CC/1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=O)/C=C\\O1","spectrum_id":"CCMSLIB00000853845","spectrum_index":4646},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168926-02_C52H80O24_beta-L-Arabinopyranose, O-beta-D-xylopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,5xi,9xi,18xi)-3-(beta-D-glucopyranuronosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]-","exact_mass":1088.5,"inchikey":"RPWKGRUCXRZSSG-JTABRCNJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1089.503052,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2OC(=O)[C@]34CCC(C)(C)CC3\\C5=C\\CC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@](C)(C7CC[C@@]6(C)[C@]5(C)CC4)C(O)=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00000853847","spectrum_index":4647},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169730-03_C21H24O6_5H,7H-Dibenzo[b,g][1,5]dioxocin-5-one, 11-hydroxy-3-(1-hydroxy-3-methylbutyl)-4-methoxy-9-methyl-","exact_mass":372.157,"inchikey":"UOWGLBYIKHMCIS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.156372,"smiles":"COC1=C2C(=O)OCC3=C(OC2=CC=C1C(O)CC(C)C)C(=CC(=C3)C)O","spectrum_id":"CCMSLIB00000853849","spectrum_index":4648},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180429-03_C27H43NO8_Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, (3beta,4alpha,7alpha,15alpha,16beta)-","exact_mass":509.299,"inchikey":"RNPABQVCNAUEIY-LFIJUETPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":510.308807,"smiles":"C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@@H]4C[C@]56OC7(O)[C@@H](O)CC[C@@]5(C)[C@@H]7C[C@@H](O)[C@H]6[C@]4(O)[C@@H](O)[C@H](O)[C@@H]3[C@]2(C)O","spectrum_id":"CCMSLIB00000853851","spectrum_index":4649},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347377-02_C41H66O14_1-O-[(2beta,3beta,5xi,9xi,18xi)-2,23-Dihydroxy-28-oxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":782.445,"inchikey":"RTFKMVMUZLBFEW-HEUPFQDZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":783.452576,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000853852","spectrum_index":4650},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347377-02_C41H66O14_1-O-[(2beta,3beta,5xi,9xi,18xi)-2,23-Dihydroxy-28-oxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":782.445,"inchikey":"RTFKMVMUZLBFEW-HEUPFQDZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":805.434021,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000853855","spectrum_index":4651},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384577-01_C19H28O10_2-Phenylethyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":416.168,"inchikey":"GZSQKOFXMZDKPV-DERWZFJFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.204468,"smiles":"OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OCCC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000853856","spectrum_index":4652},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384577-01_C19H28O10_2-Phenylethyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":416.168,"inchikey":"GZSQKOFXMZDKPV-DERWZFJFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.15976,"smiles":"OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OCCC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000853859","spectrum_index":4653},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384633-01_C21H24O10_(2S,3R)-3,5-Dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl beta-D-threo-hexopyranoside","exact_mass":436.137,"inchikey":"BUZPALUBBJZNNV-ZZIZYRMTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.146851,"smiles":"OC[C@H]1O[C@@H](OC2=CC(=C3C[C@@H](O)[C@@H](OC3=C2)C4=CC=C(O)C=C4)O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853861","spectrum_index":4654},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384633-01_C21H24O10_(2S,3R)-3,5-Dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl beta-D-threo-hexopyranoside","exact_mass":436.137,"inchikey":"BUZPALUBBJZNNV-ZZIZYRMTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":459.128357,"smiles":"OC[C@H]1O[C@@H](OC2=CC(=C3C[C@@H](O)[C@@H](OC3=C2)C4=CC=C(O)C=C4)O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853863","spectrum_index":4655},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384634-01_C18H23NO4_1H-Pyrrolo[3,2,1-de]phenanthridin-1-ol, 2,4,5,7,11b,11c-hexahydro-2,9,10-trimethoxy-, (1S,2S,11bS,11cS)-","exact_mass":317.163,"inchikey":"VOIMPDXOQJYVDI-WNRNVDISSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.172302,"smiles":"CO[C@H]1\\C=C/2CCN3CC4=CC(=C(OC)C=C4[C@H]([C@@H]1O)[C@@H]23)OC","spectrum_id":"CCMSLIB00000853865","spectrum_index":4656},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384635-01_C27H34O8_Methyl [(1S,3S,7R,8R,9R,12S,13S)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0~1,12~.0~3,8~]heptadec-7-yl](hydroxy)acetate","exact_mass":486.225,"inchikey":"GOYZKWCPWBKPIG-WCORHPHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.235199,"smiles":"COC(=O)C(O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](C5=COC=C5)[C@]3(C)CC[C@@H](C4=C)[C@]12C","spectrum_id":"CCMSLIB00000853867","spectrum_index":4657},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384635-01_C27H34O8_Methyl [(1S,3S,7R,8R,9R,12S,13S)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0~1,12~.0~3,8~]heptadec-7-yl](hydroxy)acetate","exact_mass":486.225,"inchikey":"GOYZKWCPWBKPIG-WCORHPHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":504.261719,"smiles":"COC(=O)C(O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](C5=COC=C5)[C@]3(C)CC[C@@H](C4=C)[C@]12C","spectrum_id":"CCMSLIB00000853869","spectrum_index":4658},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168848-03_C32H46O11_Carda-4,20(22)-dienolide, 6-(acetyloxy)-3-[(6-deoxy-3-O-methyl-beta-D-galactopyranosyl)oxy]-8,14-dihydroxy-, (3beta,8xi,9xi)-","exact_mass":606.304,"inchikey":"DPFSNFFFCPHBOW-JHSONMHFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":607.310852,"smiles":"CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]\\2CC[C@]\\3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4(O)CC(OC(C)=O)C3=C2)\\C6=C\\C(=O)OC6)[C@@H]1O","spectrum_id":"CCMSLIB00000853871","spectrum_index":4659},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168848-03_C32H46O11_Carda-4,20(22)-dienolide, 6-(acetyloxy)-3-[(6-deoxy-3-O-methyl-beta-D-galactopyranosyl)oxy]-8,14-dihydroxy-, (3beta,8xi,9xi)-","exact_mass":606.304,"inchikey":"DPFSNFFFCPHBOW-JHSONMHFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":629.293091,"smiles":"CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]\\2CC[C@]\\3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4(O)CC(OC(C)=O)C3=C2)\\C6=C\\C(=O)OC6)[C@@H]1O","spectrum_id":"CCMSLIB00000853873","spectrum_index":4660},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180820-03_C25H38O4_(5xi,9xi)-Beyer-15-en-18-yl methyl succinate","exact_mass":402.277,"inchikey":"CNEWEMXPRRKCTL-ZTHVCKICSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.285156,"smiles":"COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)C1CCC3\\4C[C@](C)(CCC23)\\C=C4","spectrum_id":"CCMSLIB00000853874","spectrum_index":4661},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180820-03_C25H38O4_(5xi,9xi)-Beyer-15-en-18-yl methyl succinate","exact_mass":402.277,"inchikey":"CNEWEMXPRRKCTL-ZTHVCKICSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.266632,"smiles":"COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)C1CCC3\\4C[C@](C)(CCC23)\\C=C4","spectrum_id":"CCMSLIB00000853877","spectrum_index":4662},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347519-02_C24H36O8_Butanoic acid, 3-(acetyloxy)-2-hydroxy-2-methyl-, (1S,2R,4aR,8aR)-1-(acetyloxy)decahydro-1,4a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl ester","exact_mass":452.241,"inchikey":"LUNCZNVVYHFMOQ-ZCHNZJOUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":470.275299,"smiles":"CC(OC(C)=O)C(C)(O)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C[C@H]2[C@]1(C)OC(C)=O)=C(C)C","spectrum_id":"CCMSLIB00000853878","spectrum_index":4663},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380084-01_C21H30O4_Benzo[b]cyclopenta[e]pyran-8(3H)-one, 3a,5,6,7,9,9a-hexahydro-7-hydroxy-1-[(4E)-6-hydroxy-1,5-dimethyl-4-hexen-1-yl]-3a-methyl-","exact_mass":346.214,"inchikey":"KOATXBNOVXBDJE-WLRTZDKTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.222382,"smiles":"CC(CC\\C=C(C)\\CO)C/1=C/CC2(C)O\\C3=C(/CC12)C(=O)C(O)CC3","spectrum_id":"CCMSLIB00000853881","spectrum_index":4664},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380084-01_C21H30O4_Benzo[b]cyclopenta[e]pyran-8(3H)-one, 3a,5,6,7,9,9a-hexahydro-7-hydroxy-1-[(4E)-6-hydroxy-1,5-dimethyl-4-hexen-1-yl]-3a-methyl-","exact_mass":346.214,"inchikey":"KOATXBNOVXBDJE-WLRTZDKTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.211792,"smiles":"CC(CC\\C=C(C)\\CO)C/1=C/CC2(C)O\\C3=C(/CC12)C(=O)C(O)CC3","spectrum_id":"CCMSLIB00000853882","spectrum_index":4665},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380084-01_C21H30O4_Benzo[b]cyclopenta[e]pyran-8(3H)-one, 3a,5,6,7,9,9a-hexahydro-7-hydroxy-1-[(4E)-6-hydroxy-1,5-dimethyl-4-hexen-1-yl]-3a-methyl-","exact_mass":346.214,"inchikey":"KOATXBNOVXBDJE-WLRTZDKTSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.204254,"smiles":"CC(CC\\C=C(C)\\CO)C/1=C/CC2(C)O\\C3=C(/CC12)C(=O)C(O)CC3","spectrum_id":"CCMSLIB00000853884","spectrum_index":4666},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380085-01_C21H26O6_2,4-Hexadienoic acid, 6-oxo-, 1,3,5,5a,6,7,8,9,9a,9b-decahydro-9b-hydroxy-6,6,9a-trimethyl-1-oxonaphtho[1,2-c]furan-5-yl ester, (2E,4E)-","exact_mass":374.173,"inchikey":"NTEIYTQTTHYBTI-HLQBBKRNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.171539,"smiles":"CC1(C)CCCC2(C)C1C(OC(=O)\\C=C\\C=C\\C=O)\\C=C/3COC(=O)C23O","spectrum_id":"CCMSLIB00000853887","spectrum_index":4667},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380085-01_C21H26O6_2,4-Hexadienoic acid, 6-oxo-, 1,3,5,5a,6,7,8,9,9a,9b-decahydro-9b-hydroxy-6,6,9a-trimethyl-1-oxonaphtho[1,2-c]furan-5-yl ester, (2E,4E)-","exact_mass":374.173,"inchikey":"NTEIYTQTTHYBTI-HLQBBKRNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.16507,"smiles":"CC1(C)CCCC2(C)C1C(OC(=O)\\C=C\\C=C\\C=O)\\C=C/3COC(=O)C23O","spectrum_id":"CCMSLIB00000853888","spectrum_index":4668},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380086-01_C23H30O6_2,4,6-Octatrienoic acid, (5aS,9aS,9bS)-1,3,5,5a,6,7,8,9,9a,9b-decahydro-3,9b-dihydroxy-6,6,9a-trimethyl-1-oxonaphtho[1,2-c]furan-5-yl ester, (2E,4E,6E)-","exact_mass":402.204,"inchikey":"SZNYTCZAXYAIIP-QHWYAWRRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.198578,"smiles":"C/C=C/C=C/C=C/C(=O)OC1\\C=C/2C(O)OC(=O)[C@]2(O)[C@@]3(C)CCCC(C)(C)[C@H]13","spectrum_id":"CCMSLIB00000853891","spectrum_index":4669},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380086-01_C23H30O6_2,4,6-Octatrienoic acid, (5aS,9aS,9bS)-1,3,5,5a,6,7,8,9,9a,9b-decahydro-3,9b-dihydroxy-6,6,9a-trimethyl-1-oxonaphtho[1,2-c]furan-5-yl ester, (2E,4E,6E)-","exact_mass":402.204,"inchikey":"SZNYTCZAXYAIIP-QHWYAWRRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.194366,"smiles":"C/C=C/C=C/C=C/C(=O)OC1\\C=C/2C(O)OC(=O)[C@]2(O)[C@@]3(C)CCCC(C)(C)[C@H]13","spectrum_id":"CCMSLIB00000853893","spectrum_index":4670},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380087-01_C23H24O4_","exact_mass":364.167,"inchikey":"XUPOZHDUFRMVTF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.175598,"smiles":"CC1(C)OC2=C3C4CC(C)(CCC14)OC3=CC(=C2C(=O)C5=CC=CC=C5)O","spectrum_id":"CCMSLIB00000853895","spectrum_index":4671},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380087-01_C23H24O4_","exact_mass":364.167,"inchikey":"XUPOZHDUFRMVTF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.157501,"smiles":"CC1(C)OC2=C3C4CC(C)(CCC14)OC3=CC(=C2C(=O)C5=CC=CC=C5)O","spectrum_id":"CCMSLIB00000853896","spectrum_index":4672},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380089-01_C22H25NO8_1-Oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, 8-benzoyl-2-[(1S,2S,3Z)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-, (5S,8S,9R)-","exact_mass":431.158,"inchikey":"SLYDIPAXCVVRNY-UOWMTANKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.165955,"smiles":"CC\\C=C/[C@H](O)[C@H](O)\\C1=C(/C)C(=O)[C@@]2(O1)[C@@H](O)[C@](NC2=O)(OC)C(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000853898","spectrum_index":4673},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380089-01_C22H25NO8_1-Oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, 8-benzoyl-2-[(1S,2S,3Z)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-, (5S,8S,9R)-","exact_mass":431.158,"inchikey":"SLYDIPAXCVVRNY-UOWMTANKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":454.148041,"smiles":"CC\\C=C/[C@H](O)[C@H](O)\\C1=C(/C)C(=O)[C@@]2(O1)[C@@H](O)[C@](NC2=O)(OC)C(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000853900","spectrum_index":4674},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347400-02_C30H42O12_1,7-Bis(4-hydroxyphenyl)-3-heptanyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":594.268,"inchikey":"GFFOBQNFESRPJR-JKHMXVTDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.273987,"smiles":"OC[C@H]1O[C@@H](OC(CCCCC2=CC=C(O)C=C2)CCC3=CC=C(O)C=C3)[C@H](O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853902","spectrum_index":4675},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347400-02_C30H42O12_1,7-Bis(4-hydroxyphenyl)-3-heptanyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":594.268,"inchikey":"GFFOBQNFESRPJR-JKHMXVTDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":612.300293,"smiles":"OC[C@H]1O[C@@H](OC(CCCCC2=CC=C(O)C=C2)CCC3=CC=C(O)C=C3)[C@H](O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853905","spectrum_index":4676},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347400-02_C30H42O12_1,7-Bis(4-hydroxyphenyl)-3-heptanyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":594.268,"inchikey":"GFFOBQNFESRPJR-JKHMXVTDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":617.255432,"smiles":"OC[C@H]1O[C@@H](OC(CCCCC2=CC=C(O)C=C2)CCC3=CC=C(O)C=C3)[C@H](O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000853906","spectrum_index":4677},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347648-02_C25H28O8_12H-6,13-Epoxy-8,12a-methano-2H,7H-furo[3',4':6,7]oxireno[3,4]heptaleno[3,2-c]pyran-4,9,12(6H,8H)-trione, 6a,9a,10,12b,13,13a-hexahydro-9a-hydroxy-2,2,6,8,10,12b-hexamethyl-15-methylene-","exact_mass":456.178,"inchikey":"ZKFPZHCUDJBDJO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.185699,"smiles":"CC1OC(=O)C23C(=C)C(C)(CC4C\\5(C)OC(C6OC67C5=C\\C(=O)OC7(C)C)C24C)C(=O)C13O","spectrum_id":"CCMSLIB00000853908","spectrum_index":4678},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380358-01_C22H24O7_Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 5,6,7,8-tetrahydro-7-hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-1H-2-benzopyran-6-yl ester","exact_mass":400.152,"inchikey":"VNQRSFQBEKLVHZ-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.15979,"smiles":"COC1=CC(=C(C(=C1)C)C(=O)OC2CC/3=C(COC(=C3)/C=C/C)\\C(=O)C2(C)O)O","spectrum_id":"CCMSLIB00000853911","spectrum_index":4679},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380358-01_C22H24O7_Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 5,6,7,8-tetrahydro-7-hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-1H-2-benzopyran-6-yl ester","exact_mass":400.152,"inchikey":"VNQRSFQBEKLVHZ-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.141632,"smiles":"COC1=CC(=C(C(=C1)C)C(=O)OC2CC/3=C(COC(=C3)/C=C/C)\\C(=O)C2(C)O)O","spectrum_id":"CCMSLIB00000853913","spectrum_index":4680},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380365-01_C19H28O13_4-Hydroxy-3,5-dimethoxyphenyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":464.153,"inchikey":"BPSJMBKZSUTYNF-GXCUHXBUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.159973,"smiles":"COC1=CC(=CC(=C1O)OC)O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000853915","spectrum_index":4681},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380365-01_C19H28O13_4-Hydroxy-3,5-dimethoxyphenyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":464.153,"inchikey":"BPSJMBKZSUTYNF-GXCUHXBUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.150238,"smiles":"COC1=CC(=CC(=C1O)OC)O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000853917","spectrum_index":4682},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380365-01_C19H28O13_4-Hydroxy-3,5-dimethoxyphenyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":464.153,"inchikey":"BPSJMBKZSUTYNF-GXCUHXBUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":482.18692,"smiles":"COC1=CC(=CC(=C1O)OC)O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000853919","spectrum_index":4683},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380365-01_C19H28O13_4-Hydroxy-3,5-dimethoxyphenyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":464.153,"inchikey":"BPSJMBKZSUTYNF-GXCUHXBUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.142548,"smiles":"COC1=CC(=CC(=C1O)OC)O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000853921","spectrum_index":4684},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380366-01_C19H26O12_4-Acetyl-2-hydroxyphenyl 2-O-beta-D-fructofuranosyl-beta-D-xylopyranoside","exact_mass":446.142,"inchikey":"YOBMRYYTHXIXSD-SMTILKTDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.131836,"smiles":"CC(=O)C1=CC=C(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)C(=C1)O","spectrum_id":"CCMSLIB00000853925","spectrum_index":4685},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380367-01_C21H24O5_7-Benzofurancarboxylic acid, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-6-(2-phenylethyl)-","exact_mass":356.162,"inchikey":"XJKIBJFVLHQLKC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.169891,"smiles":"COC1=C2CC(OC2=C(C(O)=O)C(=C1)CCC3=CC=CC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00000853927","spectrum_index":4686},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380367-01_C21H24O5_7-Benzofurancarboxylic acid, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-6-(2-phenylethyl)-","exact_mass":356.162,"inchikey":"XJKIBJFVLHQLKC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.159332,"smiles":"COC1=C2CC(OC2=C(C(O)=O)C(=C1)CCC3=CC=CC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00000853929","spectrum_index":4687},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380367-01_C21H24O5_7-Benzofurancarboxylic acid, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-6-(2-phenylethyl)-","exact_mass":356.162,"inchikey":"XJKIBJFVLHQLKC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.151917,"smiles":"COC1=C2CC(OC2=C(C(O)=O)C(=C1)CCC3=CC=CC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00000853931","spectrum_index":4688},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380376-01_C22H40O3_1-Naphthalenepentanol, decahydro-2-hydroxy-gamma,2,5,5,8a-pentamethyl-, alpha-acetate","exact_mass":352.298,"inchikey":"NZKLGQRMNDHSPV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.294678,"smiles":"CC(CCOC(C)=O)CCC1C(C)(O)CCC2C(C)(C)CCCC12C","spectrum_id":"CCMSLIB00000853933","spectrum_index":4689},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380376-01_C22H40O3_1-Naphthalenepentanol, decahydro-2-hydroxy-gamma,2,5,5,8a-pentamethyl-, alpha-acetate","exact_mass":352.298,"inchikey":"NZKLGQRMNDHSPV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.287689,"smiles":"CC(CCOC(C)=O)CCC1C(C)(O)CCC2C(C)(C)CCCC12C","spectrum_id":"CCMSLIB00000853934","spectrum_index":4690},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380379-01_C29H42O11_","exact_mass":566.273,"inchikey":"TZPGGHIYBMWPBI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":567.279724,"smiles":"CC1(CCCC2(C)C(CC/C3=C/COC3=O)C(=C)CCC12)COC4OC(COC(=O)CC(O)=O)C(O)C(O)C4O","spectrum_id":"CCMSLIB00000853936","spectrum_index":4691},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380379-01_C29H42O11_","exact_mass":566.273,"inchikey":"TZPGGHIYBMWPBI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":584.306213,"smiles":"CC1(CCCC2(C)C(CC/C3=C/COC3=O)C(=C)CCC12)COC4OC(COC(=O)CC(O)=O)C(O)C(O)C4O","spectrum_id":"CCMSLIB00000853938","spectrum_index":4692},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380379-01_C29H42O11_","exact_mass":566.273,"inchikey":"TZPGGHIYBMWPBI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":589.260437,"smiles":"CC1(CCCC2(C)C(CC/C3=C/COC3=O)C(=C)CCC12)COC4OC(COC(=O)CC(O)=O)C(O)C(O)C4O","spectrum_id":"CCMSLIB00000853940","spectrum_index":4693},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168879-02_C10H15NO3_3-Acetyl-5-sec-butyl-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one","exact_mass":197.105,"inchikey":"CEIZFXOZIQNICU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.11087,"smiles":"CCC(C)C\\1NC(=O)\\C(=C1O)C(C)=O","spectrum_id":"CCMSLIB00000853942","spectrum_index":4694},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380949-01_C28H42O5_3,5,9,23-Tetrahydroxy-18,22-cycloergosta-6,8(14)-dien-11-one","exact_mass":458.303,"inchikey":"MUYUFHKTKLPWIW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.297424,"smiles":"CC(C)C(C)C(O)C1CC\\23CC(=O)C4(O)C(=C2CCC3C1C)\\C=C/C5(O)CC(O)CCC45C","spectrum_id":"CCMSLIB00000853944","spectrum_index":4695},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380950-01_C19H20O6_6a,7,8,12a-Tetrahydroxy-3-methyl-2,3,4,5,6,6a,7,12a-octahydro-1,12-tetraphenedione","exact_mass":344.126,"inchikey":"UTAIBCIOWTVUDJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.131409,"smiles":"CC1CC(=O)C/2=C(/CCC3(O)C(O)C4=C(O)C=CC=C4C(=O)C23O)C1","spectrum_id":"CCMSLIB00000853947","spectrum_index":4696},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380950-01_C19H20O6_6a,7,8,12a-Tetrahydroxy-3-methyl-2,3,4,5,6,6a,7,12a-octahydro-1,12-tetraphenedione","exact_mass":344.126,"inchikey":"UTAIBCIOWTVUDJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.120728,"smiles":"CC1CC(=O)C/2=C(/CCC3(O)C(O)C4=C(O)C=CC=C4C(=O)C23O)C1","spectrum_id":"CCMSLIB00000853949","spectrum_index":4697},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380951-01_C23H29N3O4_1H,5H-Imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione, 7a-(1,1-dimethyl-2-propen-1-yl)-7a,12-dihydro-6,12-dimethoxy-3-(1-methylethyl)-","exact_mass":411.216,"inchikey":"KANZNGGFUBNDNY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":412.220734,"smiles":"CON1C2=CC=CC=C2C3(\\C=C(OC)/C(=O)N4C(C(C)C)C(=O)NC134)C(C)(C)C=C","spectrum_id":"CCMSLIB00000853950","spectrum_index":4698},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380951-01_C23H29N3O4_1H,5H-Imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione, 7a-(1,1-dimethyl-2-propen-1-yl)-7a,12-dihydro-6,12-dimethoxy-3-(1-methylethyl)-","exact_mass":411.216,"inchikey":"KANZNGGFUBNDNY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.202484,"smiles":"CON1C2=CC=CC=C2C3(\\C=C(OC)/C(=O)N4C(C(C)C)C(=O)NC134)C(C)(C)C=C","spectrum_id":"CCMSLIB00000853952","spectrum_index":4699},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380952-01_C26H34O9_(1R,2R,4S,7S,8R,9R,10S,11R,12S,13S,14R,17R,18R,19R)-8-Acetoxy-10,19-dihydroxy-1,9,18-trimethyl-15-oxo-16,20-dioxahexacyclo[15.3.2.0~2,13~.0~4,12~.0~7,11~.0~14,19~]docos-5-ene-5-carboxylic acid","exact_mass":490.22,"inchikey":"OTGHTIDLDTWPFJ-ROQUJFDLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":491.224182,"smiles":"C[C@@H]1[C@@H](O)[C@H]2[C@H](\\C=C(/[C@H]3C[C@@H]4[C@H]([C@H]23)[C@H]5C(=O)O[C@@H]6CC[C@@]4(C)O[C@]5(O)[C@@H]6C)C(O)=O)[C@H]1OC(C)=O","spectrum_id":"CCMSLIB00000853955","spectrum_index":4700},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380953-01_C21H30O4_1,3,11-Trihydroxypregna-5,16-dien-20-one","exact_mass":346.214,"inchikey":"JZEZLAAJRKPOFM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.209167,"smiles":"CC(=O)C/1=C/CC2C3C/C=C4/CC(O)CC(O)C4(C)C3C(O)CC12C","spectrum_id":"CCMSLIB00000853957","spectrum_index":4701},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380954-01_C16H22N2O3_4,6,8-Decatrienamide, 3-hydroxy-2,2,4-trimethyl-10-(5-oxazolyl)-, (3R,4Z,6Z,8E)-","exact_mass":290.163,"inchikey":"MRTUFVRJHFZVOT-FJOYPXEJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.168701,"smiles":"C\\C(=C\\C=C/C=C/CC1=CN=CO1)[C@@H](O)C(C)(C)C(N)=O","spectrum_id":"CCMSLIB00000853958","spectrum_index":4702},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380954-01_C16H22N2O3_4,6,8-Decatrienamide, 3-hydroxy-2,2,4-trimethyl-10-(5-oxazolyl)-, (3R,4Z,6Z,8E)-","exact_mass":290.163,"inchikey":"MRTUFVRJHFZVOT-FJOYPXEJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.158112,"smiles":"C\\C(=C\\C=C/C=C/CC1=CN=CO1)[C@@H](O)C(C)(C)C(N)=O","spectrum_id":"CCMSLIB00000853961","spectrum_index":4703},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380954-01_C16H22N2O3_4,6,8-Decatrienamide, 3-hydroxy-2,2,4-trimethyl-10-(5-oxazolyl)-, (3R,4Z,6Z,8E)-","exact_mass":290.163,"inchikey":"MRTUFVRJHFZVOT-FJOYPXEJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.150513,"smiles":"C\\C(=C\\C=C/C=C/CC1=CN=CO1)[C@@H](O)C(C)(C)C(N)=O","spectrum_id":"CCMSLIB00000853962","spectrum_index":4704},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00263645-02_C11H15N5O3S_5'-Methylthioadenosine","exact_mass":297.09,"inchikey":"WUUGFSXJNOTRMR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.096283,"smiles":"CSCC1OC(C(O)C1O)[N]2C=NC3=C2N=CN=C3N","spectrum_id":"CCMSLIB00000853965","spectrum_index":4705},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381090-01_C15H20O7_2-Acetyl-3-methylphenyl beta-D-glucopyranoside","exact_mass":312.121,"inchikey":"JAFYVMQCMOZABG-TVKJYDDYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.109436,"smiles":"CC(=O)C1=C(C)C=CC=C1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000853966","spectrum_index":4706},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381091-01_C20H24O4_1,7-Bis(4-hydroxyphenyl)-5-methoxy-3-heptanone","exact_mass":328.167,"inchikey":"PASZRDILCDRSOZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.174438,"smiles":"COC(CCC1=CC=C(O)C=C1)CC(=O)CCC2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000853969","spectrum_index":4707},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381092-01_C15H20O8_2-Acetyl-5-hydroxy-3-methylphenyl beta-D-glucopyranoside","exact_mass":328.116,"inchikey":"GXLXFBBEKMNRQK-TVKJYDDYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.122437,"smiles":"CC(=O)C1=C(C)C=C(O)C=C1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000853970","spectrum_index":4708},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381095-01_C26H44O8_7-Hydroxy-4-[(3Z)-5-hydroxy-3-methyl-3-penten-1-yl]-4a,8,8-trimethyl-3-methylenedecahydro-2-naphthalenyl beta-D-mannopyranoside","exact_mass":484.304,"inchikey":"JECOCDKQCZSANH-RFKAOMIISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":502.33606,"smiles":"CC(/CCC1C(=C)C(CC2C(C)(C)C(O)CCC12C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)=C/CO","spectrum_id":"CCMSLIB00000853972","spectrum_index":4709},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381098-01_C26H34O12_3-Hydroxy-1-(3-hydroxy-4-methoxyphenyl)-2-{4-[(1E)-3-hydroxy-1-propen-1-yl]-2-methoxyphenoxy}propyl beta-D-glucopyranoside","exact_mass":538.205,"inchikey":"XBTCTDQFKYYTLT-JPNAWLBCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.200195,"smiles":"COC1=CC=C(C=C1O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)OC3=C(OC)C=C(\\C=C\\CO)C=C3","spectrum_id":"CCMSLIB00000853975","spectrum_index":4710},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381098-01_C26H34O12_3-Hydroxy-1-(3-hydroxy-4-methoxyphenyl)-2-{4-[(1E)-3-hydroxy-1-propen-1-yl]-2-methoxyphenoxy}propyl beta-D-glucopyranoside","exact_mass":538.205,"inchikey":"XBTCTDQFKYYTLT-JPNAWLBCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.1922,"smiles":"COC1=CC=C(C=C1O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)OC3=C(OC)C=C(\\C=C\\CO)C=C3","spectrum_id":"CCMSLIB00000853977","spectrum_index":4711},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095344-03_C18H22O5_1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (11E)-","exact_mass":318.147,"inchikey":"MBMQEIFVQACCCH-XVNBXDOJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.15686,"smiles":"CC1CCCC(=O)CCC/C=C/C2=CC(=CC(=C2C(=O)O1)O)O","spectrum_id":"CCMSLIB00000853978","spectrum_index":4712},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169957-03_C30H51N5O7_3-sec-Butyl-16-isobutyl-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone","exact_mass":593.379,"inchikey":"GNBHVMBELHWUIF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":594.388489,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000853980","spectrum_index":4713},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169957-03_C30H51N5O7_3-sec-Butyl-16-isobutyl-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone","exact_mass":593.379,"inchikey":"GNBHVMBELHWUIF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":616.370056,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000853982","spectrum_index":4714},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347526-02_C24H35NO4_(3E,9E)-5-Hydroxy-14-isobutyl-9,12,13-trimethyl-6,7,8,10a,13,13a,14,15-octahydro-2H-oxacyclododecino[2,3-d]isoindole-2,16(5H)-dione","exact_mass":401.257,"inchikey":"HXVGXVHKKDWYHZ-MKQCFFQWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.265503,"smiles":"CC(C)CC1NC(=O)C23OC(=O)\\C=C\\C(O)CCC\\C(=C\\C2\\C=C(\\C)C(C)C13)C","spectrum_id":"CCMSLIB00000853984","spectrum_index":4715},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386065-01_C19H20O7_Methyl 4,6'-dihydroxy-6-methyl-3-oxo-3'-(2-oxopropyl)-3H-spiro[1-benzofuran-2,1'-cyclohex[4]ene]-2'-carboxylate","exact_mass":360.121,"inchikey":"WBXFRPMHPXIXQL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.130219,"smiles":"COC(=O)C1C(CC(C)=O)\\C=C/C(O)C12OC3=C(C(=CC(=C3)C)O)C2=O","spectrum_id":"CCMSLIB00000853987","spectrum_index":4716},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386065-01_C19H20O7_Methyl 4,6'-dihydroxy-6-methyl-3-oxo-3'-(2-oxopropyl)-3H-spiro[1-benzofuran-2,1'-cyclohex[4]ene]-2'-carboxylate","exact_mass":360.121,"inchikey":"WBXFRPMHPXIXQL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.119598,"smiles":"COC(=O)C1C(CC(C)=O)\\C=C/C(O)C12OC3=C(C(=CC(=C3)C)O)C2=O","spectrum_id":"CCMSLIB00000853988","spectrum_index":4717},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386065-01_C19H20O7_Methyl 4,6'-dihydroxy-6-methyl-3-oxo-3'-(2-oxopropyl)-3H-spiro[1-benzofuran-2,1'-cyclohex[4]ene]-2'-carboxylate","exact_mass":360.121,"inchikey":"WBXFRPMHPXIXQL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.112305,"smiles":"COC(=O)C1C(CC(C)=O)\\C=C/C(O)C12OC3=C(C(=CC(=C3)C)O)C2=O","spectrum_id":"CCMSLIB00000853991","spectrum_index":4718},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386070-01_C26H29N3O4_8H,10H-7a,12a-(Iminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazole-8,16-dione, 3,6b,7,11,12,13,13a,14-octahydro-6b-hydroxy-3,3,14,14-tetramethyl-, (6bR,7aS,12aS,13aS)-","exact_mass":447.216,"inchikey":"PYHKDROAWLAEDE-VKAHWXPLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":448.225403,"smiles":"CC\\1(C)OC2=CC=C3C(=C2\\C=C1)\\N=C/4C(C)(C)[C@@H]5C[C@]67CCCN6C(=O)[C@@]5(C[C@@]34O)NC7=O","spectrum_id":"CCMSLIB00000853993","spectrum_index":4719},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386070-01_C26H29N3O4_8H,10H-7a,12a-(Iminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazole-8,16-dione, 3,6b,7,11,12,13,13a,14-octahydro-6b-hydroxy-3,3,14,14-tetramethyl-, (6bR,7aS,12aS,13aS)-","exact_mass":447.216,"inchikey":"PYHKDROAWLAEDE-VKAHWXPLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":470.207336,"smiles":"CC\\1(C)OC2=CC=C3C(=C2\\C=C1)\\N=C/4C(C)(C)[C@@H]5C[C@]67CCCN6C(=O)[C@@]5(C[C@@]34O)NC7=O","spectrum_id":"CCMSLIB00000853995","spectrum_index":4720},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179850-02_C42H66O16_Hexopyranose, 1-O-[(3beta,5xi,9xi)-3-(hexopyranuronosyloxy)-23,24-dihydroxy-28-oxoolean-12-en-28-yl]-","exact_mass":826.435,"inchikey":"PILWRMVFWRVMAP-KPFCIGHHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":827.43927,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6O)C(O)=O)C(CO)(CO)C5CC[C@@]34C)[C@@H]2C1)C(=O)OC7OC(CO)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000853997","spectrum_index":4721},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179850-02_C42H66O16_Hexopyranose, 1-O-[(3beta,5xi,9xi)-3-(hexopyranuronosyloxy)-23,24-dihydroxy-28-oxoolean-12-en-28-yl]-","exact_mass":826.435,"inchikey":"PILWRMVFWRVMAP-KPFCIGHHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":849.421509,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6O)C(O)=O)C(CO)(CO)C5CC[C@@]34C)[C@@H]2C1)C(=O)OC7OC(CO)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000853999","spectrum_index":4722},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180052-02_C21H36O10_beta-D-Glucopyranoside, (1R)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl 6-O-alpha-L-arabinopyranosyl-","exact_mass":448.231,"inchikey":"OKNPZRJNRSGKME-HUHXKEGASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":466.265686,"smiles":"CC(C)=CCC[C@@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C=C","spectrum_id":"CCMSLIB00000854001","spectrum_index":4723},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180052-02_C21H36O10_beta-D-Glucopyranoside, (1R)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl 6-O-alpha-L-arabinopyranosyl-","exact_mass":448.231,"inchikey":"OKNPZRJNRSGKME-HUHXKEGASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.220947,"smiles":"CC(C)=CCC[C@@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C=C","spectrum_id":"CCMSLIB00000854002","spectrum_index":4724},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180053-03_C28H34O8_Methyl (2R,3aR,4aS,5R,6R,9aR,10S,10aR)-2-(3-furyl)-5-hydroxy-10-(2-methoxy-2-oxoethyl)-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-6-carboxylate","exact_mass":498.225,"inchikey":"CTBHKOAPXBDFPX-OUEZSCCGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.232574,"smiles":"COC(=O)C[C@H]1[C@@]/2(C)[C@H](O[C@@H]3C[C@H](\\C(=C23)C)C4=COC=C4)[C@H](O)C5[C@@](C)(\\C=C/C(=O)[C@]15C)C(=O)OC","spectrum_id":"CCMSLIB00000854004","spectrum_index":4725},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180053-03_C28H34O8_Methyl (2R,3aR,4aS,5R,6R,9aR,10S,10aR)-2-(3-furyl)-5-hydroxy-10-(2-methoxy-2-oxoethyl)-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-6-carboxylate","exact_mass":498.225,"inchikey":"CTBHKOAPXBDFPX-OUEZSCCGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.222076,"smiles":"COC(=O)C[C@H]1[C@@]/2(C)[C@H](O[C@@H]3C[C@H](\\C(=C23)C)C4=COC=C4)[C@H](O)C5[C@@](C)(\\C=C/C(=O)[C@]15C)C(=O)OC","spectrum_id":"CCMSLIB00000854007","spectrum_index":4726},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380082-01_C23H30O6_2-Formyl-1-hydroxy-5,5,8a-trimethyl-4-[(2E,4E,6E)-2,4,6-octatrienoyloxy]-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid","exact_mass":402.204,"inchikey":"YOWISNGQSRPIPP-DWRCERIWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.212616,"smiles":"C/C=C/C=C/C=C/C(=O)OC1\\C=C(C=O)/C(O)(C(O)=O)C2(C)CCCC(C)(C)C12","spectrum_id":"CCMSLIB00000854009","spectrum_index":4727},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380152-01_C22H28O7_","exact_mass":404.184,"inchikey":"JAGNFEYYASZAOT-XVYDYJIPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.181274,"smiles":"COC(=O)/C=C/C=C/C(=O)OC1\\C=C/2COC(=O)C2(O)C3(C)CCCC(C)(C)C13","spectrum_id":"CCMSLIB00000854011","spectrum_index":4728},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380157-01_C23H28O6_6-(Hydroxymethyl)-4-methoxy-6,9a-dimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-5-yl benzoate","exact_mass":400.189,"inchikey":"ATNVDTZRLBHBKA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.197144,"smiles":"COC\\1C(OC(=O)C2=CC=CC=C2)C3C(C)(CO)CCCC3(C)\\C4=C1C(=O)OC4","spectrum_id":"CCMSLIB00000854012","spectrum_index":4729},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380159-01_C33H52O13_","exact_mass":656.341,"inchikey":"WCVDAMPGHVHGQY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":657.347839,"smiles":"CC(O)(C1C(O)CC2C3C/C=C4/CC(O)CC(O)C4(C)C3C(O)CC12C)C(=O)C5CC5(CO)COC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000854014","spectrum_index":4730},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380159-01_C33H52O13_","exact_mass":656.341,"inchikey":"WCVDAMPGHVHGQY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":639.33606,"smiles":"CC(O)(C1C(O)CC2C3C/C=C4/CC(O)CC(O)C4(C)C3C(O)CC12C)C(=O)C5CC5(CO)COC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000854017","spectrum_index":4731},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380159-01_C33H52O13_","exact_mass":656.341,"inchikey":"WCVDAMPGHVHGQY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":679.329529,"smiles":"CC(O)(C1C(O)CC2C3C/C=C4/CC(O)CC(O)C4(C)C3C(O)CC12C)C(=O)C5CC5(CO)COC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000854019","spectrum_index":4732},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169747-02_C20H26O6_Spiro[furan-3(2H),6'(8'H)-[2H,3H]naphth[1,8a-b]oxet]-2-one, 5-(3-furanyl)octahydro-3'-hydroxy-9'a-(hydroxymethyl)-5'-methyl-, (2a'R,3R,3'R,5S,5'R,6a'S,9a'R)-","exact_mass":362.173,"inchikey":"BWDPEGUHIBSSSY-NZMLQMEOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.181854,"smiles":"C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)CCC[C@@H]3[C@@]14C[C@H](OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000854021","spectrum_index":4733},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384539-01_C48H76O19_Hexopyranose, 1-O-[(3beta,5xi,9xi)-3-[(6-deoxy-4-O-hexopyranosyl-alpha-L-mannopyranosyl)oxy]-27-hydroxy-27,28-dioxours-12-en-28-yl]-","exact_mass":956.498,"inchikey":"SDMFWFQLYZEILE-IJIFUICFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":974.526001,"smiles":"C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H](C)[C@H](OC7OC(CO)C(O)C(O)C7O)[C@@H](O)[C@H]6O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OC8OC(CO)C(O)C(O)C8O","spectrum_id":"CCMSLIB00000854022","spectrum_index":4734},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384539-01_C48H76O19_Hexopyranose, 1-O-[(3beta,5xi,9xi)-3-[(6-deoxy-4-O-hexopyranosyl-alpha-L-mannopyranosyl)oxy]-27-hydroxy-27,28-dioxours-12-en-28-yl]-","exact_mass":956.498,"inchikey":"SDMFWFQLYZEILE-IJIFUICFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":979.481934,"smiles":"C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H](C)[C@H](OC7OC(CO)C(O)C(O)C7O)[C@@H](O)[C@H]6O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OC8OC(CO)C(O)C(O)C8O","spectrum_id":"CCMSLIB00000854024","spectrum_index":4735},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384550-01_C17H24O10_Methyl (2S,3R,4S)-2-(beta-D-glucopyranosyloxy)-4-(2-oxoethyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":388.137,"inchikey":"CSKKDSFETGLMSB-NRZPKYKESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.145599,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1CC=O","spectrum_id":"CCMSLIB00000854027","spectrum_index":4736},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384550-01_C17H24O10_Methyl (2S,3R,4S)-2-(beta-D-glucopyranosyloxy)-4-(2-oxoethyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":388.137,"inchikey":"CSKKDSFETGLMSB-NRZPKYKESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.127472,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1CC=O","spectrum_id":"CCMSLIB00000854028","spectrum_index":4737},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384553-01_C47H78O20_","exact_mass":962.509,"inchikey":"YVOIYLIDBGUQGX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":985.492859,"smiles":"COC1CC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4C/C=C3/C2)C(C)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)OC(C)C1OC8OC(C)C(O)C(OC)C8O","spectrum_id":"CCMSLIB00000854031","spectrum_index":4738},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384555-01_C21H30O13_(1S,4aS,7aR)-4a-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-7-methyl-5-oxo-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside","exact_mass":490.169,"inchikey":"WDMQLCVSWBENIY-QZTRPTDZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":491.176727,"smiles":"C[C@@H]1O[C@@H](O[C@@]23\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2\\C(=C/C3=O)C)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000854033","spectrum_index":4739},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384555-01_C21H30O13_(1S,4aS,7aR)-4a-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-7-methyl-5-oxo-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside","exact_mass":490.169,"inchikey":"WDMQLCVSWBENIY-QZTRPTDZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":508.202972,"smiles":"C[C@@H]1O[C@@H](O[C@@]23\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2\\C(=C/C3=O)C)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000854035","spectrum_index":4740},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384555-01_C21H30O13_(1S,4aS,7aR)-4a-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-7-methyl-5-oxo-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside","exact_mass":490.169,"inchikey":"WDMQLCVSWBENIY-QZTRPTDZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":513.159058,"smiles":"C[C@@H]1O[C@@H](O[C@@]23\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2\\C(=C/C3=O)C)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000854036","spectrum_index":4741},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385685-01_C23H34O14_(2E)-3-[4-(beta-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]-2-propen-1-yl beta-D-glucopyranoside","exact_mass":534.195,"inchikey":"RYVGCUJETSKZDU-YQHZJLNZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":552.232117,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=CC(=C1)\\C=C\\CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC","spectrum_id":"CCMSLIB00000854038","spectrum_index":4742},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385685-01_C23H34O14_(2E)-3-[4-(beta-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]-2-propen-1-yl beta-D-glucopyranoside","exact_mass":534.195,"inchikey":"RYVGCUJETSKZDU-YQHZJLNZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":557.188049,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=CC(=C1)\\C=C\\CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC","spectrum_id":"CCMSLIB00000854041","spectrum_index":4743},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385692-01_C44H68O14_3-Hydroxyspirosta-5,25(27)-dien-1-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-(2-hydroxy-3-methylpentanoyl)-alpha-L-arabinopyranoside","exact_mass":820.461,"inchikey":"QCKCJABEPSOSMR-KTBDZVLRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":821.471558,"smiles":"CCC(C)C(O)C(=O)O[C@H]1CO[C@@H](OC2CC(O)C\\C3=C\\CC4C(CCC5(C)C4CC6OC7(CCC(=C)CO7)C(C)C56)C23C)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]1O","spectrum_id":"CCMSLIB00000854042","spectrum_index":4744},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385692-01_C44H68O14_3-Hydroxyspirosta-5,25(27)-dien-1-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-(2-hydroxy-3-methylpentanoyl)-alpha-L-arabinopyranoside","exact_mass":820.461,"inchikey":"QCKCJABEPSOSMR-KTBDZVLRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":803.46167,"smiles":"CCC(C)C(O)C(=O)O[C@H]1CO[C@@H](OC2CC(O)C\\C3=C\\CC4C(CCC5(C)C4CC6OC7(CCC(=C)CO7)C(C)C56)C23C)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]1O","spectrum_id":"CCMSLIB00000854044","spectrum_index":4745},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385692-01_C44H68O14_3-Hydroxyspirosta-5,25(27)-dien-1-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-(2-hydroxy-3-methylpentanoyl)-alpha-L-arabinopyranoside","exact_mass":820.461,"inchikey":"QCKCJABEPSOSMR-KTBDZVLRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":843.454102,"smiles":"CCC(C)C(O)C(=O)O[C@H]1CO[C@@H](OC2CC(O)C\\C3=C\\CC4C(CCC5(C)C4CC6OC7(CCC(=C)CO7)C(C)C56)C23C)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]1O","spectrum_id":"CCMSLIB00000854047","spectrum_index":4746},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385693-01_C32H48O8_Propanedioic acid, mono[12-(acetyloxy)-4,4,8,10,14-pentamethyl-17-(tetrahydro-2-methyl-5-oxo-2-furanyl)gonan-3-yl] ester","exact_mass":560.335,"inchikey":"COUZJTKJINDPEN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.346436,"smiles":"CC(=O)OC1CC2C3(C)CCC(OC(=O)CC(O)=O)C(C)(C)C3CCC2(C)C4(C)CCC(C14)C5(C)CCC(=O)O5","spectrum_id":"CCMSLIB00000854049","spectrum_index":4747},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385693-01_C32H48O8_Propanedioic acid, mono[12-(acetyloxy)-4,4,8,10,14-pentamethyl-17-(tetrahydro-2-methyl-5-oxo-2-furanyl)gonan-3-yl] ester","exact_mass":560.335,"inchikey":"COUZJTKJINDPEN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":583.328369,"smiles":"CC(=O)OC1CC2C3(C)CCC(OC(=O)CC(O)=O)C(C)(C)C3CCC2(C)C4(C)CCC(C14)C5(C)CCC(=O)O5","spectrum_id":"CCMSLIB00000854051","spectrum_index":4748},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385695-01_C21H28O13_alpha-D-Glucopyranoside, beta-L-fructofuranosyl 6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-","exact_mass":488.153,"inchikey":"PQYVXRPPFDHTSV-DUXRPXEISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":511.146606,"smiles":"OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)\\C=C\\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000854052","spectrum_index":4749},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179126-03_C28H34O7_(6R,6aS,6bR,7aS,10S,10aS,12bR)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl acetate","exact_mass":482.23,"inchikey":"YJXDGWUNRYLINJ-POZBICLPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":483.24118,"smiles":"CC(=O)O[C@@H]1CC2C(C)(C)C(=O)\\C=C/[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]13C)C6=COC=C6","spectrum_id":"CCMSLIB00000854055","spectrum_index":4750},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179126-03_C28H34O7_(6R,6aS,6bR,7aS,10S,10aS,12bR)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl acetate","exact_mass":482.23,"inchikey":"YJXDGWUNRYLINJ-POZBICLPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.230713,"smiles":"CC(=O)O[C@@H]1CC2C(C)(C)C(=O)\\C=C/[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]13C)C6=COC=C6","spectrum_id":"CCMSLIB00000854057","spectrum_index":4751},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179126-03_C28H34O7_(6R,6aS,6bR,7aS,10S,10aS,12bR)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl acetate","exact_mass":482.23,"inchikey":"YJXDGWUNRYLINJ-POZBICLPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":500.267853,"smiles":"CC(=O)O[C@@H]1CC2C(C)(C)C(=O)\\C=C/[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]13C)C6=COC=C6","spectrum_id":"CCMSLIB00000854059","spectrum_index":4752},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180557-02_C18H26O11_Methyl (2S,3Z,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-4-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":418.148,"inchikey":"KYVUMEGNMQDSHO-ISEXSMSQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.147491,"smiles":"COC(=O)C[C@H]\\1\\C(=C\\C)[C@@H](O\\C=C1C(=O)OC)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000854061","spectrum_index":4753},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180557-02_C18H26O11_Methyl (2S,3Z,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-4-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":418.148,"inchikey":"KYVUMEGNMQDSHO-ISEXSMSQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.14035,"smiles":"COC(=O)C[C@H]\\1\\C(=C\\C)[C@@H](O\\C=C1C(=O)OC)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000854062","spectrum_index":4754},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385528-01_C29H40O10_7aH,13aH-Cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-13a-carboxaldehyde, 1-(2,5-dihydro-5-oxo-3-furanyl)eicosahydro-1,3a,11,11a-tetrahydroxy-9,15a-dimethyl-, (1S,3aS,3bR,6aR,9R,11R,11aS,12aR,13aR,15aS)-","exact_mass":548.262,"inchikey":"ZROMRLOBUYCHGL-HIFZTHFUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":531.262512,"smiles":"C[C@@H]1C[C@@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)C(CC[C@@H]5C4CC[C@@]6(C)[C@]5(O)CC[C@]6(O)\\C7=C\\C(=O)OC7)C[C@H]3OC2O1","spectrum_id":"CCMSLIB00000854064","spectrum_index":4755},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385529-01_C48H76O19_1-O-{(3beta,5xi,9xi)-3-[(2-O-Hexopyranosyl-beta-D-glucopyranuronosyl)oxy]-28-oxoolean-12-en-28-yl}-beta-D-glucopyranose","exact_mass":956.498,"inchikey":"NFZYDZXHKFHPGA-CRYCKQKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":957.505371,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000854066","spectrum_index":4756},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385529-01_C48H76O19_1-O-{(3beta,5xi,9xi)-3-[(2-O-Hexopyranosyl-beta-D-glucopyranuronosyl)oxy]-28-oxoolean-12-en-28-yl}-beta-D-glucopyranose","exact_mass":956.498,"inchikey":"NFZYDZXHKFHPGA-CRYCKQKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":979.487,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000854069","spectrum_index":4757},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385600-01_C13H22O3_2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethyl-","exact_mass":226.157,"inchikey":"CWOFGGNDZOPNFG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":227.165863,"smiles":"CC(O)CCC1(O)\\C(=C/C(=O)CC1(C)C)C","spectrum_id":"CCMSLIB00000854070","spectrum_index":4758},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385600-01_C13H22O3_2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethyl-","exact_mass":226.157,"inchikey":"CWOFGGNDZOPNFG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":209.154953,"smiles":"CC(O)CCC1(O)\\C(=C/C(=O)CC1(C)C)C","spectrum_id":"CCMSLIB00000854072","spectrum_index":4759},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385671-01_C23H36O13_Butanoic acid, 3-methyl-, (1S,4aS,6S,7R,7aS)-7-[(acetyloxy)methyl]-4-[(beta-D-glucopyranosyloxy)methyl]-1,4a,5,6,7,7a-hexahydro-6,7-dihydroxycyclopenta[c]pyran-1-yl ester","exact_mass":520.216,"inchikey":"ZZSVMUQQFFDKCD-BSWVNRIFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":538.252197,"smiles":"CC(C)CC(=O)O[C@@H]1O\\C=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/[C@H]3C[C@H](O)[C@](O)(COC(C)=O)[C@@H]13","spectrum_id":"CCMSLIB00000854075","spectrum_index":4760},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385671-01_C23H36O13_Butanoic acid, 3-methyl-, (1S,4aS,6S,7R,7aS)-7-[(acetyloxy)methyl]-4-[(beta-D-glucopyranosyloxy)methyl]-1,4a,5,6,7,7a-hexahydro-6,7-dihydroxycyclopenta[c]pyran-1-yl ester","exact_mass":520.216,"inchikey":"ZZSVMUQQFFDKCD-BSWVNRIFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.207764,"smiles":"CC(C)CC(=O)O[C@@H]1O\\C=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/[C@H]3C[C@H](O)[C@](O)(COC(C)=O)[C@@H]13","spectrum_id":"CCMSLIB00000854076","spectrum_index":4761},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169037-02_C25H34O8_beta-D-Glucopyranoside, 5-(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pentyl","exact_mass":462.225,"inchikey":"MAUAGULXOHJIER-SRJJTFDTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":480.261078,"smiles":"OC[C@H]1O[C@@H](OC(CCCCC2=CC=C(O)C=C2)CCC3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000854079","spectrum_index":4762},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169037-02_C25H34O8_beta-D-Glucopyranoside, 5-(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pentyl","exact_mass":462.225,"inchikey":"MAUAGULXOHJIER-SRJJTFDTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.216278,"smiles":"OC[C@H]1O[C@@H](OC(CCCCC2=CC=C(O)C=C2)CCC3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000854081","spectrum_index":4763},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169683-02_C42H64O17_2(5H)-Furanone, 4-[3-[[O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-D-lyxo-hexopyranosyl]oxy]tetradecahydro-10,12b-dimethyl-13-oxo-1H-6a,10-methanocycloocta[a]naphthalen-9-yl]-","exact_mass":840.414,"inchikey":"YUXPMUIKXCUNQY-MCRXNTOMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":841.419678,"smiles":"CO[C@@H]1CC(O[C@H](C)[C@@H]1O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)OC4CCC5(C)C(CCC67CCC(\\C8=C\\C(=O)OC8)C(C)(CCC56)C7=O)C4","spectrum_id":"CCMSLIB00000854082","spectrum_index":4764},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169683-02_C42H64O17_2(5H)-Furanone, 4-[3-[[O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-D-lyxo-hexopyranosyl]oxy]tetradecahydro-10,12b-dimethyl-13-oxo-1H-6a,10-methanocycloocta[a]naphthalen-9-yl]-","exact_mass":840.414,"inchikey":"YUXPMUIKXCUNQY-MCRXNTOMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":863.401062,"smiles":"CO[C@@H]1CC(O[C@H](C)[C@@H]1O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)OC4CCC5(C)C(CCC67CCC(\\C8=C\\C(=O)OC8)C(C)(CCC56)C7=O)C4","spectrum_id":"CCMSLIB00000854085","spectrum_index":4765},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169849-02_C32H40O16_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[3-O-acetyl-6-deoxy-2-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl","exact_mass":680.232,"inchikey":"IBXDTZNDJHAVNK-DGUYHALFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":698.265442,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H]3\\C=C/O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)[C@H](OC(=O)\\C=C\\C6=CC=CC=C6)[C@H](OC(C)=O)[C@H]1O","spectrum_id":"CCMSLIB00000854086","spectrum_index":4766},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347504-02_C18H20N2O9_Uridine, 2'-(4-hydroxy-2-methoxy-6-methylbenzoate)","exact_mass":408.117,"inchikey":"RARUJUZFKGDIOM-RAEVTNRLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.125885,"smiles":"COC1=CC(=CC(=C1C(=O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2N3\\C=C/C(=O)NC3=O)C)O","spectrum_id":"CCMSLIB00000854089","spectrum_index":4767},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380576-01_C22H32O5_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1S,4aR,8aR)-2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-1-naphthalenyl]-, (2E)-","exact_mass":376.225,"inchikey":"KLGPVOFVVYHEGO-VBIQWIQDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.234192,"smiles":"CC(=O)OCC(/CC[C@@H]1\\C(=C/C[C@@H]2C(C)(C)CCC[C@@]12C)C=O)=C/C(O)=O","spectrum_id":"CCMSLIB00000854090","spectrum_index":4768},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380576-01_C22H32O5_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1S,4aR,8aR)-2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-1-naphthalenyl]-, (2E)-","exact_mass":376.225,"inchikey":"KLGPVOFVVYHEGO-VBIQWIQDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.260345,"smiles":"CC(=O)OCC(/CC[C@@H]1\\C(=C/C[C@@H]2C(C)(C)CCC[C@@]12C)C=O)=C/C(O)=O","spectrum_id":"CCMSLIB00000854092","spectrum_index":4769},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380576-01_C22H32O5_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1S,4aR,8aR)-2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-1-naphthalenyl]-, (2E)-","exact_mass":376.225,"inchikey":"KLGPVOFVVYHEGO-VBIQWIQDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.215851,"smiles":"CC(=O)OCC(/CC[C@@H]1\\C(=C/C[C@@H]2C(C)(C)CCC[C@@]12C)C=O)=C/C(O)=O","spectrum_id":"CCMSLIB00000854094","spectrum_index":4770},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380579-01_C33H42O17_4-(beta-D-Glucopyranosyloxy)benzyl 3-(beta-D-glucopyranosyloxy)-2-{[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-3-methylbutanoate","exact_mass":710.242,"inchikey":"LZXXRASHAINSDN-ZLFKWPTHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":711.248657,"smiles":"CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(OC(=O)\\C=C/C2=CC=C(O)C=C2)C(=O)OCC3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3","spectrum_id":"CCMSLIB00000854096","spectrum_index":4771},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380579-01_C33H42O17_4-(beta-D-Glucopyranosyloxy)benzyl 3-(beta-D-glucopyranosyloxy)-2-{[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-3-methylbutanoate","exact_mass":710.242,"inchikey":"LZXXRASHAINSDN-ZLFKWPTHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":728.27655,"smiles":"CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(OC(=O)\\C=C/C2=CC=C(O)C=C2)C(=O)OCC3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3","spectrum_id":"CCMSLIB00000854099","spectrum_index":4772},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380579-01_C33H42O17_4-(beta-D-Glucopyranosyloxy)benzyl 3-(beta-D-glucopyranosyloxy)-2-{[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-3-methylbutanoate","exact_mass":710.242,"inchikey":"LZXXRASHAINSDN-ZLFKWPTHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":733.23114,"smiles":"CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(OC(=O)\\C=C/C2=CC=C(O)C=C2)C(=O)OCC3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3","spectrum_id":"CCMSLIB00000854100","spectrum_index":4773},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380580-01_C23H30O13_alpha-D-Glucopyranoside, 4-O-acetyl-beta-D-fructofuranosyl 6-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-","exact_mass":514.169,"inchikey":"JNKDXWGGWNLKOD-BLFJEXFJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":532.203796,"smiles":"CC(=O)O[C@H]1[C@H](O)[C@@](CO)(O[C@@H]1CO)O[C@H]2O[C@H](COC(=O)\\C=C\\C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000854103","spectrum_index":4774},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380580-01_C23H30O13_alpha-D-Glucopyranoside, 4-O-acetyl-beta-D-fructofuranosyl 6-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-","exact_mass":514.169,"inchikey":"JNKDXWGGWNLKOD-BLFJEXFJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":537.158569,"smiles":"CC(=O)O[C@H]1[C@H](O)[C@@](CO)(O[C@@H]1CO)O[C@H]2O[C@H](COC(=O)\\C=C\\C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000854104","spectrum_index":4775},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347836-02_C22H32O7_Phenanthro[3,2-b]furan-9(1H)-one, 5-(acetyloxy)-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydro-6,10a-dihydroxy-4-(hydroxymethyl)-4,7,11b-trimethyl-","exact_mass":408.215,"inchikey":"GWEGFCVAOPNYPT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.22348,"smiles":"CC/1C2C(O)C(OC(C)=O)C3C(C)(CO)CCCC3(C)C2CC4(O)OC(=O)\\C=C14","spectrum_id":"CCMSLIB00000854107","spectrum_index":4776},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347836-02_C22H32O7_Phenanthro[3,2-b]furan-9(1H)-one, 5-(acetyloxy)-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydro-6,10a-dihydroxy-4-(hydroxymethyl)-4,7,11b-trimethyl-","exact_mass":408.215,"inchikey":"GWEGFCVAOPNYPT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.213104,"smiles":"CC/1C2C(O)C(OC(C)=O)C3C(C)(CO)CCCC3(C)C2CC4(O)OC(=O)\\C=C14","spectrum_id":"CCMSLIB00000854108","spectrum_index":4777},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381411-01_C43H62O24_(3Z)-3-Ethylidene-2-(hexopyranosyloxy)-4-(2-{2-[2-({2-[2-(hexopyranosyloxy)-5-(methoxycarbonyl)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]acetoxy}methyl)-4-hydroxy-3-methylcyclopentyl]-3-hydroxypropoxy}-2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid","exact_mass":962.363,"inchikey":"NADMMFBMXKYHID-IPKBDRFQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":963.365784,"smiles":"COC(=O)C/1=C/OC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC(=O)OCC3C(C)C(O)CC3C(CO)COC(=O)CC\\4/C(=C/C)C(O\\C=C4C(O)=O)OC5OC(CO)C(O)C(O)C5O","spectrum_id":"CCMSLIB00000854110","spectrum_index":4778},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381414-01_C18H21ClO8_1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 13-chloro-3,4,5,8,9,10-hexahydro-5,8,9,14,16-pentahydroxy-3-methyl-, (6E)-","exact_mass":400.092,"inchikey":"KRODDZHZLZSLCJ-NSCUHMNNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.101257,"smiles":"CC1CC(O)\\C=C\\C(O)C(O)CC(=O)CC2=C(C(=CC(=C2Cl)O)O)C(=O)O1","spectrum_id":"CCMSLIB00000854113","spectrum_index":4779},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381414-01_C18H21ClO8_1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 13-chloro-3,4,5,8,9,10-hexahydro-5,8,9,14,16-pentahydroxy-3-methyl-, (6E)-","exact_mass":400.092,"inchikey":"KRODDZHZLZSLCJ-NSCUHMNNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.090668,"smiles":"CC1CC(O)\\C=C\\C(O)C(O)CC(=O)CC2=C(C(=CC(=C2Cl)O)O)C(=O)O1","spectrum_id":"CCMSLIB00000854114","spectrum_index":4780},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381417-01_C39H53N7O9_Pyrrolo[2,1-o][1,4,7,10,13,16,19]benzoheptaazacyclodocosine-6,9,12,15,18,23,26(5H)-heptone, 7,8,10,11,13,14,16,17,18a,19,20,21,24,25-tetradecahydro-13-(1-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]-10-methyl-24-(1-methylethyl)-16-(1-methylpropyl)-","exact_mass":763.391,"inchikey":"DRWAFTJWJQAXRC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":764.396912,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(NC(=O)C3=CC=CC=C3NC(=O)C(CC4=CC=C(O)C=C4)NC(=O)C(C)NC(=O)C(NC1=O)C(C)O)C(C)C","spectrum_id":"CCMSLIB00000854117","spectrum_index":4781},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381417-01_C39H53N7O9_Pyrrolo[2,1-o][1,4,7,10,13,16,19]benzoheptaazacyclodocosine-6,9,12,15,18,23,26(5H)-heptone, 7,8,10,11,13,14,16,17,18a,19,20,21,24,25-tetradecahydro-13-(1-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]-10-methyl-24-(1-methylethyl)-16-(1-methylpropyl)-","exact_mass":763.391,"inchikey":"DRWAFTJWJQAXRC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":786.378235,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(NC(=O)C3=CC=CC=C3NC(=O)C(CC4=CC=C(O)C=C4)NC(=O)C(C)NC(=O)C(NC1=O)C(C)O)C(C)C","spectrum_id":"CCMSLIB00000854119","spectrum_index":4782},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381427-01_C18H20O8_","exact_mass":364.116,"inchikey":"FIOXBLMFCQXRMK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.12439,"smiles":"COC(=O)CC1CC2(C(C)O1)C(=O)C3=C(O)C=CC=C3C2(O)C(=O)OC","spectrum_id":"CCMSLIB00000854121","spectrum_index":4783},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381427-01_C18H20O8_","exact_mass":364.116,"inchikey":"FIOXBLMFCQXRMK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":382.150848,"smiles":"COC(=O)CC1CC2(C(C)O1)C(=O)C3=C(O)C=CC=C3C2(O)C(=O)OC","spectrum_id":"CCMSLIB00000854123","spectrum_index":4784},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381428-01_C25H39NO7_(7E)-6-Hydroperoxy-11,12-dihydroxy-3-isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,6,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","exact_mass":465.273,"inchikey":"FCNYTFYALYEECS-JLHYYAGUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":466.281525,"smiles":"COC1CC(=O)C23C(\\C=C(C)\\CCC(O)C1O)C(OO)\\C(=C(C)/C2C(CC(C)C)NC3=O)C","spectrum_id":"CCMSLIB00000854124","spectrum_index":4785},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381428-01_C25H39NO7_(7E)-6-Hydroperoxy-11,12-dihydroxy-3-isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,6,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","exact_mass":465.273,"inchikey":"FCNYTFYALYEECS-JLHYYAGUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":448.270996,"smiles":"COC1CC(=O)C23C(\\C=C(C)\\CCC(O)C1O)C(OO)\\C(=C(C)/C2C(CC(C)C)NC3=O)C","spectrum_id":"CCMSLIB00000854127","spectrum_index":4786},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381429-01_C12H13NO3_1H-Indole-3-propanoic acid, alpha-hydroxy-beta-methyl-","exact_mass":219.09,"inchikey":"NUFXPJOTSOMKFZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":220.097458,"smiles":"CC(C(O)C(O)=O)C1=C[NH]C2=CC=CC=C12","spectrum_id":"CCMSLIB00000854128","spectrum_index":4787},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381429-01_C12H13NO3_1H-Indole-3-propanoic acid, alpha-hydroxy-beta-methyl-","exact_mass":219.09,"inchikey":"NUFXPJOTSOMKFZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":242.079117,"smiles":"CC(C(O)C(O)=O)C1=C[NH]C2=CC=CC=C12","spectrum_id":"CCMSLIB00000854130","spectrum_index":4788},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385264-02_C27H44O6_1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-yl 6-deoxy-2-O-[(2E)-3-methyl-2-pentenoyl]-beta-L-galactopyranoside","exact_mass":464.314,"inchikey":"UQUYXFBISSCISA-BUHFOSPRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.307495,"smiles":"CCC(/C)=C/C(=O)OC1C(O)C(O)C(C)OC1OC2(C)CCC3C(C4C(C)CCC24)C3(C)C","spectrum_id":"CCMSLIB00000854133","spectrum_index":4789},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385696-01_C19H34O9_2,4-Dihydroxy-4-[(1E)-3-hydroxy-1-buten-1-yl]-3,5,5-trimethylcyclohexyl beta-D-glucopyranoside","exact_mass":406.22,"inchikey":"DADZWQMIHPKXIG-XAVYJVBDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.231506,"smiles":"CC(O)/C=C/C1(O)C(C)C(O)C(CC1(C)C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000854134","spectrum_index":4790},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385696-01_C19H34O9_2,4-Dihydroxy-4-[(1E)-3-hydroxy-1-buten-1-yl]-3,5,5-trimethylcyclohexyl beta-D-glucopyranoside","exact_mass":406.22,"inchikey":"DADZWQMIHPKXIG-XAVYJVBDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.213379,"smiles":"CC(O)/C=C/C1(O)C(C)C(O)C(CC1(C)C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000854137","spectrum_index":4791},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385699-01_C66H106O32_6-Deoxy-alpha-L-mannopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(3beta,5xi,9xi)-3-{[6-deoxy-alpha-L-mannopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranuronosyl]oxy}-24-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":1410.67,"inchikey":"YFTXKZMMMCWVPM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1411.665283,"smiles":"CC1OC(OC2C(C)OC(OC3C(O)C(O)C(CO)OC3OC(=O)C45CCC(C)(C)CC4C/6=C/CC7C8(C)CCC(OC9OC(C(O)C(O)C9OC%10OC(CO)C(O)C(OC%11OC(C)C(O)C(O)C%11O)C%10O)C(O)=O)C(C)(CO)C8CCC7(C)C6(C)CC5)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000854138","spectrum_index":4792},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385700-01_C32H50O4_3-Acetoxyolean-12-en-23-oic acid","exact_mass":498.371,"inchikey":"IAWGZKRQDHPFCZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.36499,"smiles":"CC(=O)OC1CCC2(C)C(CCC3(C)C2C\\C=C/4C5CC(C)(C)CCC5(C)CCC34C)C1(C)C(O)=O","spectrum_id":"CCMSLIB00000854141","spectrum_index":4793},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385705-01_C43H68O14_(3beta,5xi,9xi,16beta,18xi,21beta,22alpha)-28-Acetoxy-16,22,23-trihydroxy-21-[(2-methylbutanoyl)oxy]olean-12-en-3-yl beta-D-glucopyranosiduronic acid","exact_mass":808.461,"inchikey":"IWLKKMZNFBKYCF-ZVJOEZINSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":809.471069,"smiles":"CCC(C)C(=O)O[C@H]1[C@H](O)[C@]2(COC(C)=O)[C@@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@@](C)(CO)C5CC[C@@]34C)C2CC1(C)C","spectrum_id":"CCMSLIB00000854143","spectrum_index":4794},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385705-01_C43H68O14_(3beta,5xi,9xi,16beta,18xi,21beta,22alpha)-28-Acetoxy-16,22,23-trihydroxy-21-[(2-methylbutanoyl)oxy]olean-12-en-3-yl beta-D-glucopyranosiduronic acid","exact_mass":808.461,"inchikey":"IWLKKMZNFBKYCF-ZVJOEZINSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":791.459534,"smiles":"CCC(C)C(=O)O[C@H]1[C@H](O)[C@]2(COC(C)=O)[C@@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@@](C)(CO)C5CC[C@@]34C)C2CC1(C)C","spectrum_id":"CCMSLIB00000854145","spectrum_index":4795},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385705-01_C43H68O14_(3beta,5xi,9xi,16beta,18xi,21beta,22alpha)-28-Acetoxy-16,22,23-trihydroxy-21-[(2-methylbutanoyl)oxy]olean-12-en-3-yl beta-D-glucopyranosiduronic acid","exact_mass":808.461,"inchikey":"IWLKKMZNFBKYCF-ZVJOEZINSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":831.452148,"smiles":"CCC(C)C(=O)O[C@H]1[C@H](O)[C@]2(COC(C)=O)[C@@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@@](C)(CO)C5CC[C@@]34C)C2CC1(C)C","spectrum_id":"CCMSLIB00000854147","spectrum_index":4796},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385706-01_C21H24N2O4_(1R,5R,8S,16S,17S)-11,12-Dimethoxy-5,15-diazahexacyclo[13.4.2.0~1,16~.0~5,16~.0~8,17~.0~9,14~]henicosa-2,9,11,13-tetraen-21-one 5-oxide","exact_mass":368.174,"inchikey":"XZNRPOKZBBDTJP-YINQKSMFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.184113,"smiles":"COC1=C(OC)C=C2N3C(=O)C[C@]\\45CC[C@H]6[C@H](CC[N@@+]([O-])(C\\C=C4)[C@]356)C2=C1","spectrum_id":"CCMSLIB00000854149","spectrum_index":4797},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169479-03_C23H28O9_(1aS,3R,4R,5S,5aS,8aR,10R,10aS)-3-Hydroxy-3,10-dimethyl-6-methylene-2,7-dioxododecahydrooxireno[7,8]cyclodeca[1,2-b]furan-4,5-diyl bis(2-methylacrylate)","exact_mass":448.173,"inchikey":"BWAZUXQZSXFTJK-VPTIGGDOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":466.207977,"smiles":"C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=C)[C@@H](OC(=O)C(C)=C)[C@@](C)(O)C(=O)[C@H]3O[C@@H]13","spectrum_id":"CCMSLIB00000854150","spectrum_index":4798},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347785-02_C17H22O5_9a-Hydroxy-3,8a-dimethyl-5-methylene-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-8-yl acetate","exact_mass":306.147,"inchikey":"DDHXERAMOVJOAJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.154968,"smiles":"CC(=O)OC1CCC(=C)C2C\\C3=C(/C)C(=O)OC3(O)CC12C","spectrum_id":"CCMSLIB00000854152","spectrum_index":4799},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380560-01_C26H32O9_Oxireno[4',5']pyrano[4',3':5,6]naphth[2,1-c]oxepin-3,10,12(1H,4H,10aH)-trione, 8-(3-furanyl)decahydro-5,6-dihydroxy-1,1,5a,7a,11b-pentamethyl-","exact_mass":488.205,"inchikey":"ITMCBHIQGZAEPX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.21283,"smiles":"CC1(C)OC(=O)CC(O)C2(C)C1CC(=O)C3(C)C2C(O)CC4(C)C(OC(=O)C5OC345)C6=COC=C6","spectrum_id":"CCMSLIB00000854155","spectrum_index":4800},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380561-01_C20H26O8_2-Propenoic acid, 2-methyl-, (4S,6R,11E)-2,4,5,6,7,8,9,10-octahydro-6,7-dihydroxy-3-(methoxymethyl)-6,10-dimethyl-2-oxo-7,10-epoxycyclodeca[b]furan-4-yl ester","exact_mass":394.163,"inchikey":"QYCVLCCQAORDAF-OKDMDMGYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.160522,"smiles":"COCC/1=C/2[C@H](C[C@@](C)(O)C3(O)CCC(C)(O3)/C=C2OC1=O)OC(=O)C(C)=C","spectrum_id":"CCMSLIB00000854157","spectrum_index":4801},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380562-01_C41H66O15_Pregn-5-en-20-one, 3-[[O--6-deoxyhexopyranosyl-(1->4)-O--2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy]-11,12,14-trihydroxy-, (3beta,8xi,9xi,12beta,14beta)-","exact_mass":798.44,"inchikey":"UPGNUKWUJCJKHN-RJOBNQAYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":821.428101,"smiles":"COC1CC(OC(C)C1OC2CC(OC)C(OC3OC(C)C(O)C(O)C3O)C(C)O2)O[C@H]4CC[C@]5(C)C6C(O)[C@@H](O)[C@]7(C)[C@H](CC[C@]7(O)C6C\\C=C5\\C4)C(C)=O","spectrum_id":"CCMSLIB00000854158","spectrum_index":4802},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380563-01_C20H22O6_4-Hydroxy-5,8-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,4a,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl 3-methyl-2-butenoate","exact_mass":358.142,"inchikey":"SNZHVLUQMJWWPN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.150146,"smiles":"CC(C)=CC(=O)OC\\1C2OC(=O)C(=C)C2C(O)C\\3\\C(=C/C(=O)C3=C1C)C","spectrum_id":"CCMSLIB00000854160","spectrum_index":4803},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380563-01_C20H22O6_4-Hydroxy-5,8-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,4a,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl 3-methyl-2-butenoate","exact_mass":358.142,"inchikey":"SNZHVLUQMJWWPN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.139313,"smiles":"CC(C)=CC(=O)OC\\1C2OC(=O)C(=C)C2C(O)C\\3\\C(=C/C(=O)C3=C1C)C","spectrum_id":"CCMSLIB00000854163","spectrum_index":4804},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380573-01_C37H50O10_2-Butenoic acid, 2-methyl-, 5-(acetyloxy)-8-(3-furanyl)hexadecahydro-1,1,5a,7a,10b-pentamethyl-7-(2-methyl-1-oxopropoxy)-3-oxooxireno[1',5']cyclopenta[1',2':5,6]naphth[2,1-c]oxepin-11-yl ester, (2E)-","exact_mass":654.34,"inchikey":"UABRYEZSGXDDDK-RGVLZGJSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":655.346741,"smiles":"C/C=C(C)/C(=O)OC1CC2C(C)(C)OC(=O)CC(OC(C)=O)C2(C)C3CC(OC(=O)C(C)C)C4(C)C(CC5OC45C13C)C6=COC=C6","spectrum_id":"CCMSLIB00000854165","spectrum_index":4805},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381043-01_C21H28O13_Hexopyranose, 2-O-hexopyranosyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-","exact_mass":488.153,"inchikey":"ZPHQZULZLQMWGY-ZZXKWVIFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.156708,"smiles":"OCC1OC(OC2C(O)OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000854168","spectrum_index":4806},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381043-01_C21H28O13_Hexopyranose, 2-O-hexopyranosyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-","exact_mass":488.153,"inchikey":"ZPHQZULZLQMWGY-ZZXKWVIFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.146149,"smiles":"OCC1OC(OC2C(O)OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000854169","spectrum_index":4807},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381043-01_C21H28O13_Hexopyranose, 2-O-hexopyranosyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-","exact_mass":488.153,"inchikey":"ZPHQZULZLQMWGY-ZZXKWVIFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":511.137817,"smiles":"OCC1OC(OC2C(O)OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000854172","spectrum_index":4808},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381046-01_C41H66O14_9,19-Cyclolanost-24-en-26-oic acid, 3-[(2-O-hexopyranosylpentopyranosyl)oxy]-12,15-dihydroxy-, (3beta,8xi,9beta,24E)-","exact_mass":782.445,"inchikey":"WIKNHJPJHDNAME-GFDZDSTDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":765.43396,"smiles":"C[C@H](CC\\C=C(C)\\C(O)=O)[C@H]1CC(O)[C@@]2(C)C3CC[C@H]4C(C)(C)[C@H](CC[C@@]45C[C@@]35CC(O)[C@]12C)OC6OCC(O)C(O)C6OC7OC(CO)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000854174","spectrum_index":4809},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381047-01_C20H24O7_","exact_mass":376.152,"inchikey":"QCTMSISXUVDOLP-JMSTWJIQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.156311,"smiles":"CO[C@@H]1[C@@H](OC(=O)C(C)=C)\\C(=C/CC\\C(=C\\[C@H]2OC(=O)C(=C)[C@H]12)CO)C=O","spectrum_id":"CCMSLIB00000854176","spectrum_index":4810},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381047-01_C20H24O7_","exact_mass":376.152,"inchikey":"QCTMSISXUVDOLP-JMSTWJIQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.182831,"smiles":"CO[C@@H]1[C@@H](OC(=O)C(C)=C)\\C(=C/CC\\C(=C\\[C@H]2OC(=O)C(=C)[C@H]12)CO)C=O","spectrum_id":"CCMSLIB00000854177","spectrum_index":4811},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380957-01_C26H38O8_1H-Benz[e]indene-6-propanoic acid, dodecahydro-2-hydroxy-7-(1-hydroxy-1-methylethyl)-9b-(methoxycarbonyl)-2,3a,6,9a-tetramethyl-4-methylene-1,3-dioxo-","exact_mass":478.257,"inchikey":"ARHZXCIVYQVVOK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.250946,"smiles":"COC(=O)C12C(=O)C(C)(O)C(=O)C1(C)C(=C)CC3C(C)(CCC(O)=O)C(CCC23C)C(C)(C)O","spectrum_id":"CCMSLIB00000854179","spectrum_index":4812},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380960-01_C30H50O6_13,17,24,25-Tetrahydroxy-16,23-epoxydammaran-3-one","exact_mass":506.361,"inchikey":"VQHYUBJDKHMCEY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":507.365326,"smiles":"CC1CC(OC2CC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CCC3(O)C12O)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00000854182","spectrum_index":4813},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380960-01_C30H50O6_13,17,24,25-Tetrahydroxy-16,23-epoxydammaran-3-one","exact_mass":506.361,"inchikey":"VQHYUBJDKHMCEY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.354858,"smiles":"CC1CC(OC2CC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CCC3(O)C12O)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00000854184","spectrum_index":4814},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380960-01_C30H50O6_13,17,24,25-Tetrahydroxy-16,23-epoxydammaran-3-one","exact_mass":506.361,"inchikey":"VQHYUBJDKHMCEY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":529.347839,"smiles":"CC1CC(OC2CC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CCC3(O)C12O)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00000854186","spectrum_index":4815},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380962-01_C24H34O6_Methyl (4R,8aS)-1-hydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-4-[(2E,4E,6E)-2,4,6-octatrienoyloxy]-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylate","exact_mass":418.236,"inchikey":"QIDMCIFFMHMTBT-YKBPFZMUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.222382,"smiles":"COC(=O)C1(O)\\C(=C/[C@@H](OC(=O)\\C=C\\C=C\\C=C\\C)C2C(C)(C)CCC[C@]12C)CO","spectrum_id":"CCMSLIB00000854187","spectrum_index":4816},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380963-01_C21H28O5_(5R,5aS,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl (2E,4E)-2,4-hexadienoate","exact_mass":360.194,"inchikey":"ZMZWVJLMOBCSEP-QRMXYISGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.188782,"smiles":"C/C=C/C=C/C(=O)O[C@@H]1\\C=C/2COC(=O)[C@]2(O)[C@@]3(C)CCCC(C)(C)[C@H]13","spectrum_id":"CCMSLIB00000854190","spectrum_index":4817},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380963-01_C21H28O5_(5R,5aS,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl (2E,4E)-2,4-hexadienoate","exact_mass":360.194,"inchikey":"ZMZWVJLMOBCSEP-QRMXYISGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.224792,"smiles":"C/C=C/C=C/C(=O)O[C@@H]1\\C=C/2COC(=O)[C@]2(O)[C@@]3(C)CCCC(C)(C)[C@H]13","spectrum_id":"CCMSLIB00000854192","spectrum_index":4818},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380964-01_C14H21N3O4_1-(5,10-Dioxohexahydro-1H,5H-dipyrrolo[1,2-a:1',2'-d]pyrazin-5a(6H)-yl)-2-propanyl carbamate","exact_mass":295.153,"inchikey":"LZRMGGWCVAVBJA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":296.158569,"smiles":"CC(CC12CCCN1C(=O)C3CCCN3C2=O)OC(N)=O","spectrum_id":"CCMSLIB00000854193","spectrum_index":4819},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380964-01_C14H21N3O4_1-(5,10-Dioxohexahydro-1H,5H-dipyrrolo[1,2-a:1',2'-d]pyrazin-5a(6H)-yl)-2-propanyl carbamate","exact_mass":295.153,"inchikey":"LZRMGGWCVAVBJA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.140625,"smiles":"CC(CC12CCCN1C(=O)C3CCCN3C2=O)OC(N)=O","spectrum_id":"CCMSLIB00000854196","spectrum_index":4820},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380965-01_C19H24O4_11a-Hydroxy-4,4,9-trimethyl-9-vinyl-1,2,3,4,9,10,11,11a-octahydrodibenzo[c,e]oxepine-5,7-dione","exact_mass":316.167,"inchikey":"SPAOQMDWHWSIOV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.173004,"smiles":"CC\\1(C)CCC\\C2=C1C(=O)OC(=O)\\C3=C\\C(C)(CCC23O)C=C","spectrum_id":"CCMSLIB00000854197","spectrum_index":4821},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380965-01_C19H24O4_11a-Hydroxy-4,4,9-trimethyl-9-vinyl-1,2,3,4,9,10,11,11a-octahydrodibenzo[c,e]oxepine-5,7-dione","exact_mass":316.167,"inchikey":"SPAOQMDWHWSIOV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.155548,"smiles":"CC\\1(C)CCC\\C2=C1C(=O)OC(=O)\\C3=C\\C(C)(CCC23O)C=C","spectrum_id":"CCMSLIB00000854199","spectrum_index":4822},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380966-01_C12H16O4_6H-2-Benzopyran-6-one, 1,7,8,8a-tetrahydro-7,8-dihydroxy-3,5,7-trimethyl-, (7S,8S,8aS)-","exact_mass":224.105,"inchikey":"CGRHRRPYPFDVGZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":225.110413,"smiles":"CC\\1=C\\C2=C(C)\\C(=O)C(C)(O)C(O)C2CO1","spectrum_id":"CCMSLIB00000854202","spectrum_index":4823},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380966-01_C12H16O4_6H-2-Benzopyran-6-one, 1,7,8,8a-tetrahydro-7,8-dihydroxy-3,5,7-trimethyl-, (7S,8S,8aS)-","exact_mass":224.105,"inchikey":"CGRHRRPYPFDVGZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.092392,"smiles":"CC\\1=C\\C2=C(C)\\C(=O)C(C)(O)C(O)C2CO1","spectrum_id":"CCMSLIB00000854203","spectrum_index":4824},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180814-02_C20H28O3_2-Naphthalenecarboxylic acid, 1-[2-(3-furanyl)ethyl]-1,2,3,4,4a,7,8,8a-octahydro-1,4a,5-trimethyl-, (1R,2R,4aR,8aR)-","exact_mass":316.204,"inchikey":"KQFDQVMJLKUUDA-ZULIPRJHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.214203,"smiles":"C\\C1=C\\CC[C@@H]2[C@@](C)(CCC3=COC=C3)[C@@H](CC[C@@]12C)C(O)=O","spectrum_id":"CCMSLIB00000854206","spectrum_index":4825},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385597-01_C32H39NO15_(1S,3R,13S,14S,17S,18R,19R,20S,21S,23R,24R,25S)-20-(Acetoxymethyl)-18,24,25-trihydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0~1,20~.0~3,23~.0~7,12~]pentacosa-7,9,11-triene-19,21-diyl diacetate","exact_mass":677.232,"inchikey":"UKUDXSDOMXVGOK-HOZDLOOJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":678.245605,"smiles":"C[C@H]1[C@H](C)C2=C(C=CC=N2)C(=O)OC[C@]3(C)O[C@]45[C@H](O)[C@H]3C(=O)[C@@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H](OC(C)=O)[C@@H](O)[C@H](OC1=O)[C@]5(C)O","spectrum_id":"CCMSLIB00000854208","spectrum_index":4826},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385602-01_C48H78O17_Hexopyranoside, 13,28-epoxy-23-hydroxyolean-11-en-3-yl O-hexopyranosyl-(1->2)-O-[hexopyranosyl-(1->4)]-6-deoxy-","exact_mass":926.524,"inchikey":"OTDSQLNKKIPGLS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":927.537964,"smiles":"CC1OC(OC2CCC3(C)C(CCC4(C)C3\\C=C/C56OCC7(CCC(C)(C)CC57)CCC46C)C2(C)CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C1OC9OC(CO)C(O)C(O)C9O","spectrum_id":"CCMSLIB00000854210","spectrum_index":4827},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385602-01_C48H78O17_Hexopyranoside, 13,28-epoxy-23-hydroxyolean-11-en-3-yl O-hexopyranosyl-(1->2)-O-[hexopyranosyl-(1->4)]-6-deoxy-","exact_mass":926.524,"inchikey":"OTDSQLNKKIPGLS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":949.519165,"smiles":"CC1OC(OC2CCC3(C)C(CCC4(C)C3\\C=C/C56OCC7(CCC(C)(C)CC57)CCC46C)C2(C)CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C1OC9OC(CO)C(O)C(O)C9O","spectrum_id":"CCMSLIB00000854212","spectrum_index":4828},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347653-02_C20H20O4_1,3-Benzenediol, 4-[3,4,8,9-tetrahydro-8-(1-methylethenyl)-2H-furo[2,3-h]-1-benzopyran-3-yl]-","exact_mass":324.136,"inchikey":"LBZMXGLPRHGPRE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.145782,"smiles":"CC(=C)C1CC2=C(O1)C=CC3=C2OCC(C3)C4=CC=C(O)C=C4O","spectrum_id":"CCMSLIB00000854213","spectrum_index":4829},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384758-01_C27H40O5_(2alpha,3beta,5alpha,8xi,14xi,25S)-2,3-Dihydroxyspirost-9(11)-en-12-one","exact_mass":444.288,"inchikey":"LXLRCWVAWYFQIU-SIJSCITFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.297668,"smiles":"C[C@H]1CC[C@@]2(OC1)O[C@H]3CC4C5CC[C@H]6C[C@@H](O)[C@H](O)C[C@]6(C)/C5=C/C(=O)[C@]4(C)[C@H]3[C@@H]2C","spectrum_id":"CCMSLIB00000854216","spectrum_index":4830},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384760-01_C15H20O5_4,5-Dihydroxy-1a-(3-hydroxy-1-propen-2-yl)-7,7a-dimethyl-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-2(1aH)-one","exact_mass":280.131,"inchikey":"CMSNWOFIEFOALE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.140625,"smiles":"CC1CC(O)C(O)\\C2=C\\C(=O)C3(OC3C12C)C(=C)CO","spectrum_id":"CCMSLIB00000854218","spectrum_index":4831},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384760-01_C15H20O5_4,5-Dihydroxy-1a-(3-hydroxy-1-propen-2-yl)-7,7a-dimethyl-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-2(1aH)-one","exact_mass":280.131,"inchikey":"CMSNWOFIEFOALE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.129852,"smiles":"CC1CC(O)C(O)\\C2=C\\C(=O)C3(OC3C12C)C(=C)CO","spectrum_id":"CCMSLIB00000854219","spectrum_index":4832},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384760-01_C15H20O5_4,5-Dihydroxy-1a-(3-hydroxy-1-propen-2-yl)-7,7a-dimethyl-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-2(1aH)-one","exact_mass":280.131,"inchikey":"CMSNWOFIEFOALE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.122192,"smiles":"CC1CC(O)C(O)\\C2=C\\C(=O)C3(OC3C12C)C(=C)CO","spectrum_id":"CCMSLIB00000854222","spectrum_index":4833},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384836-01_C43H70O12_(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,14,23-Triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.1~7,10~.1~16,19~.1~25,28~]tetracontane-3,12,21,30-tetrone","exact_mass":778.487,"inchikey":"DFQMKYUSAALDDY-MQEBUAKTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":779.495666,"smiles":"CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](CC)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](CC)C[C@H]4CC[C@H](O4)[C@H](C)C(=O)O[C@@H](C)C[C@@H]5CC[C@@H](O5)[C@@H](C)C(=O)O1","spectrum_id":"CCMSLIB00000854224","spectrum_index":4834},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384836-01_C43H70O12_(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,14,23-Triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.1~7,10~.1~16,19~.1~25,28~]tetracontane-3,12,21,30-tetrone","exact_mass":778.487,"inchikey":"DFQMKYUSAALDDY-MQEBUAKTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":801.477478,"smiles":"CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](CC)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](CC)C[C@H]4CC[C@H](O4)[C@H](C)C(=O)O[C@@H](C)C[C@@H]5CC[C@@H](O5)[C@@H](C)C(=O)O1","spectrum_id":"CCMSLIB00000854225","spectrum_index":4835},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384836-01_C43H70O12_(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,14,23-Triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.1~7,10~.1~16,19~.1~25,28~]tetracontane-3,12,21,30-tetrone","exact_mass":778.487,"inchikey":"DFQMKYUSAALDDY-MQEBUAKTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":817.449951,"smiles":"CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](CC)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](CC)C[C@H]4CC[C@H](O4)[C@H](C)C(=O)O[C@@H](C)C[C@@H]5CC[C@@H](O5)[C@@H](C)C(=O)O1","spectrum_id":"CCMSLIB00000854227","spectrum_index":4836},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384837-01_C19H32O2_14-(Hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-5-ol","exact_mass":292.24,"inchikey":"LZAZGDZVFQSCFO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.238953,"smiles":"CC1(O)CCCC2(C)C1CCC34CC(CO)C(CCC23)C4","spectrum_id":"CCMSLIB00000854230","spectrum_index":4837},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384838-01_C26H34O11_3-[2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl beta-D-glucopyranoside","exact_mass":522.21,"inchikey":"DVWKMCPPEMUHBE-RAGYRXETSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.246765,"smiles":"COC1=C(O)C=CC(=C1)C2OC3=C(C=C(CCCO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3OC)C2CO","spectrum_id":"CCMSLIB00000854232","spectrum_index":4838},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384838-01_C26H34O11_3-[2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl beta-D-glucopyranoside","exact_mass":522.21,"inchikey":"DVWKMCPPEMUHBE-RAGYRXETSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.203247,"smiles":"COC1=C(O)C=CC(=C1)C2OC3=C(C=C(CCCO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3OC)C2CO","spectrum_id":"CCMSLIB00000854234","spectrum_index":4839},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384840-01_C17H22O5_9a-Hydroxy-3,8a-dimethyl-5-methylene-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-6-yl acetate","exact_mass":306.147,"inchikey":"GYTSMBNRXNOQKU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.156525,"smiles":"CC(=O)OC1CCC2(C)CC3(O)OC(=O)/C(=C3/CC2C1=C)C","spectrum_id":"CCMSLIB00000854236","spectrum_index":4840},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384840-01_C17H22O5_9a-Hydroxy-3,8a-dimethyl-5-methylene-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-6-yl acetate","exact_mass":306.147,"inchikey":"GYTSMBNRXNOQKU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.14563,"smiles":"CC(=O)OC1CCC2(C)CC3(O)OC(=O)/C(=C3/CC2C1=C)C","spectrum_id":"CCMSLIB00000854238","spectrum_index":4841},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384840-01_C17H22O5_9a-Hydroxy-3,8a-dimethyl-5-methylene-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-6-yl acetate","exact_mass":306.147,"inchikey":"GYTSMBNRXNOQKU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.138397,"smiles":"CC(=O)OC1CCC2(C)CC3(O)OC(=O)/C(=C3/CC2C1=C)C","spectrum_id":"CCMSLIB00000854240","spectrum_index":4842},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384842-01_C28H36O9_(1R,2R,4S,16R,17R,20S)-13,20-Dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.0~1,17~.0~4,16~.0~6,14~.0~8,12~]tricosa-6(14),7,12-trien-2-yl acetate","exact_mass":516.236,"inchikey":"JVCNHGXAVMINTN-QBNAFFQBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.246033,"smiles":"COC1=C2C(=O)OCC2=C(C)C3=C1C[C@H]4[C@](C)(C[C@@H](OC(C)=O)[C@]56O[C@@](CC[C@]45C)(OC)OC6(C)C)O3","spectrum_id":"CCMSLIB00000854242","spectrum_index":4843},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247521-02_C22H26O5_4-[(3R)-5,7-Dimethoxy-6-(3-methyl-2-buten-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-benzenediol","exact_mass":370.178,"inchikey":"DDMAUIOCNQXFHL-AWEZNQCLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.187744,"smiles":"COC1=C(CC=C(C)C)C(=C2C[C@@H](COC2=C1)C3=C(O)C=C(O)C=C3)OC","spectrum_id":"CCMSLIB00000854243","spectrum_index":4844},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385230-01_C48H76O19_(3beta,5xi,9xi)-28-Hydroxy-28-oxoolean-12-en-3-yl beta-D-galactopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosiduronic acid","exact_mass":956.498,"inchikey":"YDZWHGJRWMQCDP-MIWFXODKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":957.499634,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(O)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000854245","spectrum_index":4845},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385230-01_C48H76O19_(3beta,5xi,9xi)-28-Hydroxy-28-oxoolean-12-en-3-yl beta-D-galactopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosiduronic acid","exact_mass":956.498,"inchikey":"YDZWHGJRWMQCDP-MIWFXODKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":979.48114,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(O)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000854248","spectrum_index":4846},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385231-01_C26H44O8_{(1S,2R,4aS,5R,8aS)-2-Hydroxy-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl}methyl beta-D-threo-hexopyranoside","exact_mass":484.304,"inchikey":"CWDBCXIAEGDANA-HNKZIWPVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":467.300385,"smiles":"CC(/CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)C(O)[C@H](O)C3O)[C@H](O)CC[C@@]12C)=C\\CO","spectrum_id":"CCMSLIB00000854249","spectrum_index":4847},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385233-01_C26H34O11_2-{2-Hydroxy-5-[(1E)-3-hydroxy-1-propen-1-yl]-3-methoxyphenyl}-3-(4-hydroxy-3-methoxyphenyl)propyl hexopyranoside","exact_mass":522.21,"inchikey":"SEOZHEFAHJQWFY-ONEGZZNKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":505.207001,"smiles":"COC1=C(O)C=CC(=C1)CC(COC2OC(CO)C(O)C(O)C2O)C3=CC(=CC(=C3O)OC)\\C=C\\CO","spectrum_id":"CCMSLIB00000854252","spectrum_index":4848},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385233-01_C26H34O11_2-{2-Hydroxy-5-[(1E)-3-hydroxy-1-propen-1-yl]-3-methoxyphenyl}-3-(4-hydroxy-3-methoxyphenyl)propyl hexopyranoside","exact_mass":522.21,"inchikey":"SEOZHEFAHJQWFY-ONEGZZNKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.199402,"smiles":"COC1=C(O)C=CC(=C1)CC(COC2OC(CO)C(O)C(O)C2O)C3=CC(=CC(=C3O)OC)\\C=C\\CO","spectrum_id":"CCMSLIB00000854253","spectrum_index":4849},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385234-01_C20H30O3_2(5H)-Furanone, 3-[2-[(1R,5R,8aS)-decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-","exact_mass":318.219,"inchikey":"WKKBRRFSRMDTJB-RNHVSHAASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.226807,"smiles":"C[C@@]1(CO)CCC[C@@]2(C)[C@H](CC\\C3=C\\COC3=O)C(=C)CCC12","spectrum_id":"CCMSLIB00000854255","spectrum_index":4850},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385235-01_C20H30O5_2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E,4R)-","exact_mass":350.209,"inchikey":"BOJKULTULYSRAS-NPWGMBKGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.206421,"smiles":"C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\\C=C\\3[C@@H](O)COC3=O)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00000854258","spectrum_index":4851},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385237-01_C30H48O4_","exact_mass":472.355,"inchikey":"MMQUESDXUKYFEN-OUKQBFOZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":473.363037,"smiles":"CC(C(O)\\C=C\\C(C)(C)O)C1CCC2(C)C3C(=O)/C=C/4C(CCC(O)C4(C)C)C3(C)CCC12C","spectrum_id":"CCMSLIB00000854259","spectrum_index":4852},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385237-01_C30H48O4_","exact_mass":472.355,"inchikey":"MMQUESDXUKYFEN-OUKQBFOZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.351624,"smiles":"CC(C(O)\\C=C\\C(C)(C)O)C1CCC2(C)C3C(=O)/C=C/4C(CCC(O)C4(C)C)C3(C)CCC12C","spectrum_id":"CCMSLIB00000854262","spectrum_index":4853},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385238-01_C25H36O4_","exact_mass":400.261,"inchikey":"OEUWSFOOMITSHN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.269196,"smiles":"CC(C1CCC2(C)C3C(=O)/C=C/4C(CCC(=O)C4(C)C)C3(C)CCC12C)C(O)=O","spectrum_id":"CCMSLIB00000854264","spectrum_index":4854},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385241-01_C59H96O26_6-Deoxy-alpha-L-mannopyranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-1-O-{(2beta,3beta,5xi,9xi,16alpha)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2,16,23-trihydroxy-28-oxoolean-12-en-28-yl}-beta-D-galactopyranose","exact_mass":1220.62,"inchikey":"GFGWLAXJMCZYEJ-GDJWPNRVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1221.614258,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4OC(=O)[C@]56CCC(C)(C)C[C@H]5C/7=C/CC8[C@@]9(C)C[C@H](O)[C@H](O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)[C@@](C)(CO)C9CC[C@@]8(C)[C@]7(C)C[C@H]6O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000854266","spectrum_index":4855},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385241-01_C59H96O26_6-Deoxy-alpha-L-mannopyranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-1-O-{(2beta,3beta,5xi,9xi,16alpha)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2,16,23-trihydroxy-28-oxoolean-12-en-28-yl}-beta-D-galactopyranose","exact_mass":1220.62,"inchikey":"GFGWLAXJMCZYEJ-GDJWPNRVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1243.596191,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4OC(=O)[C@]56CCC(C)(C)C[C@H]5C/7=C/CC8[C@@]9(C)C[C@H](O)[C@H](O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)[C@@](C)(CO)C9CC[C@@]8(C)[C@]7(C)C[C@H]6O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000854267","spectrum_index":4856},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385387-01_C16H28O7_4-(Hydroxymethyl)-1-isopropyl-3-cyclohexen-1-yl beta-D-glucopyranoside","exact_mass":332.184,"inchikey":"WBDMFFSFFQSHFV-MUGRSDNVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":350.220398,"smiles":"CC(C)C1(CC\\C(=C/C1)CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000854269","spectrum_index":4857},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385387-01_C16H28O7_4-(Hydroxymethyl)-1-isopropyl-3-cyclohexen-1-yl beta-D-glucopyranoside","exact_mass":332.184,"inchikey":"WBDMFFSFFQSHFV-MUGRSDNVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.175964,"smiles":"CC(C)C1(CC\\C(=C/C1)CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000854272","spectrum_index":4858},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385388-01_C21H34O11_(1R,4S,7S,8S,9R,12E,20R,21R,22S,23S)-7,8,21,22,23-Pentahydroxy-12,16-dimethyl-3,5,10,19,24-pentaoxatricyclo[18.3.1.0~4,9~]tetracos-12-en-11-one","exact_mass":462.21,"inchikey":"OGCGLORCFYTCJG-SBRVMSJJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.220917,"smiles":"CC1CCO[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3OC(=O)/C(=C/CC1)C)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000854273","spectrum_index":4859},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385388-01_C21H34O11_(1R,4S,7S,8S,9R,12E,20R,21R,22S,23S)-7,8,21,22,23-Pentahydroxy-12,16-dimethyl-3,5,10,19,24-pentaoxatricyclo[18.3.1.0~4,9~]tetracos-12-en-11-one","exact_mass":462.21,"inchikey":"OGCGLORCFYTCJG-SBRVMSJJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.202301,"smiles":"CC1CCO[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3OC(=O)/C(=C/CC1)C)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000854275","spectrum_index":4860},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385389-01_C37H56O10_(2S,4aR,5aR,7R,7aR,8R,12aS,12bS,14aR)-1,1,5',7a,8,12a-Hexamethyl-2-(D-xylopyranosyloxy)hexadecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabicyclo[3.1.0]hexan]-7-yl acetate","exact_mass":660.387,"inchikey":"GCMGJWLOGKSUGX-RFDVGSOASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":661.397217,"smiles":"C[C@@H]1CC2(OCC3(C)OC23)OC4C[C@@]5(C)[C@@H]6CC[C@H]7C(C)(C)[C@H](CC[C@@]78C[C@@]68C[C@@H](OC(C)=O)[C@]5(C)C14)OC9OC[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00000854277","spectrum_index":4861},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385389-01_C37H56O10_(2S,4aR,5aR,7R,7aR,8R,12aS,12bS,14aR)-1,1,5',7a,8,12a-Hexamethyl-2-(D-xylopyranosyloxy)hexadecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabicyclo[3.1.0]hexan]-7-yl acetate","exact_mass":660.387,"inchikey":"GCMGJWLOGKSUGX-RFDVGSOASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":683.37915,"smiles":"C[C@@H]1CC2(OCC3(C)OC23)OC4C[C@@]5(C)[C@@H]6CC[C@H]7C(C)(C)[C@H](CC[C@@]78C[C@@]68C[C@@H](OC(C)=O)[C@]5(C)C14)OC9OC[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00000854280","spectrum_index":4862},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385391-01_C21H38O10_2-[2,3,8-Trihydroxy-8-(hydroxymethyl)-3-methyldecahydro-5-azulenyl]-2-propanyl beta-D-glucopyranoside","exact_mass":450.246,"inchikey":"ZQIOVWYOYSNXID-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":473.239349,"smiles":"CC(C)(OC1OC(CO)C(O)C(O)C1O)C2CCC(O)(CO)C3CC(O)C(C)(O)C3C2","spectrum_id":"CCMSLIB00000854286","spectrum_index":4863},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385394-01_C44H74O19_","exact_mass":906.482,"inchikey":"RLAUJYFETVMGAO-DBDUXVKJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":889.478455,"smiles":"CC(CCC1(O)OC2CC3C4CCC5CC(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C(O)CC5(C)C4CCC3(C)C2C1C)CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000854288","spectrum_index":4864},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385394-01_C44H74O19_","exact_mass":906.482,"inchikey":"RLAUJYFETVMGAO-DBDUXVKJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":929.470398,"smiles":"CC(CCC1(O)OC2CC3C4CCC5CC(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C(O)CC5(C)C4CCC3(C)C2C1C)CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O","spectrum_id":"CCMSLIB00000854289","spectrum_index":4865},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385395-01_C51H84O23_(3beta,22R,25R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside","exact_mass":1064.54,"inchikey":"RPYHJEFMMXMMHG-UURKQFHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1065.545166,"smiles":"CC(CCC1(O)OC2CC3C4C/C=C5/CC(CCC5(C)C4CCC3(C)C2C1C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00000854291","spectrum_index":4866},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385395-01_C51H84O23_(3beta,22R,25R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside","exact_mass":1064.54,"inchikey":"RPYHJEFMMXMMHG-UURKQFHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1047.534302,"smiles":"CC(CCC1(O)OC2CC3C4C/C=C5/CC(CCC5(C)C4CCC3(C)C2C1C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00000854294","spectrum_index":4867},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385396-01_C23H24O7_Benzeneacetic acid, 4-hydroxy-, (3S,3aR,4S,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxoazuleno[4,5-b]furan-4-yl ester","exact_mass":412.152,"inchikey":"ICJJPTZLMALYBH-FBODHBBJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.162811,"smiles":"C[C@@H]1[C@@H]2[C@H](C\\C(=C3/C([C@H]2OC1=O)\\C(=C/C3=O)CO)C)OC(=O)CC4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000854295","spectrum_index":4868},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168809-03_C42H64O17_2(5H)-Furanone, 4-[(3S,4aR,6aR,9R,10R,12bS)-3-[[O-hexopyranosyl-(1->6)-O-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy]tetradecahydro-10,12b-dimethyl-13-oxo-1H-6a,10-methanocycloocta[a]naphthalen-9-yl]-","exact_mass":840.414,"inchikey":"YUXPMUIKXCUNQY-DCCRIRPPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":858.441406,"smiles":"COC1CC(OC(C)C1OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@]67CC[C@H](\\C8=C\\C(=O)OC8)[C@@](C)(CCC56)C7=O)C4","spectrum_id":"CCMSLIB00000854297","spectrum_index":4869},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169796-02_C20H30O10_2-Phenylethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":430.184,"inchikey":"OKUGUNDXBGUFPA-OCGSKHJZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":448.217377,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000854299","spectrum_index":4870},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385104-01_C20H22O8_beta-D-Glucopyranoside, 2-(hydroxymethyl)phenyl, 6-benzoate","exact_mass":390.131,"inchikey":"HHSKNLJWHGXWPK-BFMVXSJESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.138855,"smiles":"OCC1=CC=CC=C1O[C@@H]2O[C@H](COC(=O)C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000854301","spectrum_index":4871},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385104-01_C20H22O8_beta-D-Glucopyranoside, 2-(hydroxymethyl)phenyl, 6-benzoate","exact_mass":390.131,"inchikey":"HHSKNLJWHGXWPK-BFMVXSJESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.128265,"smiles":"OCC1=CC=CC=C1O[C@@H]2O[C@H](COC(=O)C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000854304","spectrum_index":4872},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385106-01_C18H26O10_beta-D-Glucopyranoside, phenylmethyl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":402.153,"inchikey":"NJMQSVWMCODQIP-FQXXIRCGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":420.185852,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000854306","spectrum_index":4873},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385106-01_C18H26O10_beta-D-Glucopyranoside, phenylmethyl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","exact_mass":402.153,"inchikey":"NJMQSVWMCODQIP-FQXXIRCGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.141266,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000854308","spectrum_index":4874},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385107-01_C23H32O9_Cyclohexaneacetic acid, 6-[4-(acetyloxy)-3-hydroxy-2-methylene-1-oxobutoxy]-4-ethenyl-2-hydroxy-3-[1-(hydroxymethyl)ethenyl]-4-methyl-alpha-methylene-, methyl ester","exact_mass":452.205,"inchikey":"XTMCUUVQSGQNSI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.211578,"smiles":"COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(=C)C(O)COC(C)=O)C=C","spectrum_id":"CCMSLIB00000854310","spectrum_index":4875},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385107-01_C23H32O9_Cyclohexaneacetic acid, 6-[4-(acetyloxy)-3-hydroxy-2-methylene-1-oxobutoxy]-4-ethenyl-2-hydroxy-3-[1-(hydroxymethyl)ethenyl]-4-methyl-alpha-methylene-, methyl ester","exact_mass":452.205,"inchikey":"XTMCUUVQSGQNSI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.200562,"smiles":"COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(=C)C(O)COC(C)=O)C=C","spectrum_id":"CCMSLIB00000854311","spectrum_index":4876},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385107-01_C23H32O9_Cyclohexaneacetic acid, 6-[4-(acetyloxy)-3-hydroxy-2-methylene-1-oxobutoxy]-4-ethenyl-2-hydroxy-3-[1-(hydroxymethyl)ethenyl]-4-methyl-alpha-methylene-, methyl ester","exact_mass":452.205,"inchikey":"XTMCUUVQSGQNSI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.193207,"smiles":"COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(=C)C(O)COC(C)=O)C=C","spectrum_id":"CCMSLIB00000854313","spectrum_index":4877},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385109-01_C21H28O7_(10Z)-6-Formyl-10-(hydroxymethyl)-5-methoxy-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate","exact_mass":392.184,"inchikey":"LOFBWESEBFUNJU-GFFSLUEMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.190643,"smiles":"CCC(C)C(=O)OC1C(OC)\\C(=C\\CC\\C(=C\\C2OC(=O)C(=C)C12)CO)C=O","spectrum_id":"CCMSLIB00000854315","spectrum_index":4878},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385109-01_C21H28O7_(10Z)-6-Formyl-10-(hydroxymethyl)-5-methoxy-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate","exact_mass":392.184,"inchikey":"LOFBWESEBFUNJU-GFFSLUEMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":410.217072,"smiles":"CCC(C)C(=O)OC1C(OC)\\C(=C\\CC\\C(=C\\C2OC(=O)C(=C)C12)CO)C=O","spectrum_id":"CCMSLIB00000854317","spectrum_index":4879},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385110-01_C20H38O2_(2R)-1-(5-Hydroxy-3-methylpentyl)-2,5,5,8a-tetramethyldecahydro-2-naphthalenol","exact_mass":310.287,"inchikey":"MCHQEVJMCLOQAZ-AKMRJOLWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.284088,"smiles":"CC(CCO)CCC1[C@](C)(O)CCC2C(C)(C)CCCC12C","spectrum_id":"CCMSLIB00000854319","spectrum_index":4880},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385110-01_C20H38O2_(2R)-1-(5-Hydroxy-3-methylpentyl)-2,5,5,8a-tetramethyldecahydro-2-naphthalenol","exact_mass":310.287,"inchikey":"MCHQEVJMCLOQAZ-AKMRJOLWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.276306,"smiles":"CC(CCO)CCC1[C@](C)(O)CCC2C(C)(C)CCCC12C","spectrum_id":"CCMSLIB00000854322","spectrum_index":4881},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00346662-04_C17H24O10_Methyl (1S,4aS,7aS)-1-(beta-D-glucopyranosyloxy)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":388.137,"inchikey":"IBFYXTRXDNAPMM-BVTMAQQCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.128632,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]\\3[C@@H]1C\\C=C3CO","spectrum_id":"CCMSLIB00000854324","spectrum_index":4882},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347376-02_C36H56O11_Hexopyranose, 1-O-[(3beta,5xi,9xi,18xi)-3,19,24-trihydroxy-24,28-dioxours-12-en-28-yl]-","exact_mass":664.382,"inchikey":"AWFZJSUJFSUBQU-FZEZCDDVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":687.372192,"smiles":"C[C@@H]1CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O)[C@@](C)(C5CC[C@@]34C)C(O)=O)C2[C@]1(C)O)C(=O)OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000854325","spectrum_index":4883},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347803-02_C20H32O4_1-Naphthalenecarboxylic acid, decahydro-5-[(3E)-5-hydroxy-3-(hydroxymethyl)-3-penten-1-yl]-1,4a-dimethyl-6-methylene-","exact_mass":336.23,"inchikey":"UTBCORIJXVSSBE-OQLLNIDSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.229126,"smiles":"CC12CCCC(C)(C1CCC(=C)C2CC\\C(CO)=C/CO)C(O)=O","spectrum_id":"CCMSLIB00000854327","spectrum_index":4884},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386034-01_C21H26O5_4-[5-(3,4-Dimethoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol","exact_mass":358.178,"inchikey":"YPQNDHHCUQGPFN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.188019,"smiles":"COC1=CC=C(C=C1OC)C2OC(C(C)C2C)C3=CC(=C(O)C=C3)OC","spectrum_id":"CCMSLIB00000854329","spectrum_index":4885},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386034-01_C21H26O5_4-[5-(3,4-Dimethoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol","exact_mass":358.178,"inchikey":"YPQNDHHCUQGPFN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.17746,"smiles":"COC1=CC=C(C=C1OC)C2OC(C(C)C2C)C3=CC(=C(O)C=C3)OC","spectrum_id":"CCMSLIB00000854332","spectrum_index":4886},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386037-01_C21H30O10_4-Allylphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":442.184,"inchikey":"DAELTTGCCPRYTP-ZLQZEYEISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":460.220154,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC=C(CC=C)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000854334","spectrum_index":4887},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386039-01_C26H32O15_Cyclopenta[c]pyran-4-carboxylic acid, 7-[[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]-1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6-dihydroxy-, methyl ester","exact_mass":584.174,"inchikey":"MHNHQOVNRYKGDF-HWKANZROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":585.183899,"smiles":"COC(=O)C/1=C/OC(OC2OC(CO)C(O)C(O)C2O)C3C(COC(=O)\\C=C\\C4=CC(=C(O)C=C4)O)C(O)C(O)C13","spectrum_id":"CCMSLIB00000854335","spectrum_index":4888},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386039-01_C26H32O15_Cyclopenta[c]pyran-4-carboxylic acid, 7-[[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]-1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6-dihydroxy-, methyl ester","exact_mass":584.174,"inchikey":"MHNHQOVNRYKGDF-HWKANZROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":607.1651,"smiles":"COC(=O)C/1=C/OC(OC2OC(CO)C(O)C(O)C2O)C3C(COC(=O)\\C=C\\C4=CC(=C(O)C=C4)O)C(O)C(O)C13","spectrum_id":"CCMSLIB00000854337","spectrum_index":4889},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386040-01_C52H86O22_alpha-L-Arabinopyranoside, (3beta,5xi,9xi,16alpha)-13,28-epoxy-16,23-dihydroxyoleanan-3-yl O-beta-D-glucopyranosyl-(1->2)-O-[O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)]-","exact_mass":1062.56,"inchikey":"YBYIAPOSRNODNJ-JTRURVGESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1063.564087,"smiles":"CC1(C)CC[C@]23CO[C@@]4(CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1","spectrum_id":"CCMSLIB00000854339","spectrum_index":4890},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386040-01_C52H86O22_alpha-L-Arabinopyranoside, (3beta,5xi,9xi,16alpha)-13,28-epoxy-16,23-dihydroxyoleanan-3-yl O-beta-D-glucopyranosyl-(1->2)-O-[O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)]-","exact_mass":1062.56,"inchikey":"YBYIAPOSRNODNJ-JTRURVGESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1085.544922,"smiles":"CC1(C)CC[C@]23CO[C@@]4(CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1","spectrum_id":"CCMSLIB00000854342","spectrum_index":4891},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380777-01_C77H120N16O19_","exact_mass":1572.89,"inchikey":"LSJHBSMFQYTUER-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1573.88855,"smiles":"CCC(C)(NC(=O)C(CCC(N)=O)NC(=O)C1CC(O)CN1C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC2=CC=CC=C2)NC(C)=O)C(C)C)C(=O)N3CC(O)CC3C(=O)NC(C)(C)C(=O)NC(CO)CC4=CC=CC=C4","spectrum_id":"CCMSLIB00000854343","spectrum_index":4892},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380778-01_C9H14N2O3_(3S,8aS)-3-[(1R)-1-Hydroxyethyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","exact_mass":198.1,"inchikey":"UBLWFFBGMBRBMC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":199.10878,"smiles":"CC(O)C1NC(=O)C2CCCN2C1=O","spectrum_id":"CCMSLIB00000854345","spectrum_index":4893},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380778-01_C9H14N2O3_(3S,8aS)-3-[(1R)-1-Hydroxyethyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","exact_mass":198.1,"inchikey":"UBLWFFBGMBRBMC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":221.090469,"smiles":"CC(O)C1NC(=O)C2CCCN2C1=O","spectrum_id":"CCMSLIB00000854348","spectrum_index":4894},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380780-01_C11H14N4O5_","exact_mass":282.096,"inchikey":"ZPSJPRVORZWSKK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.105408,"smiles":"COCC1OC(C(O)C1O)[N]2C=NC3=C2\\N=C/NC3=O","spectrum_id":"CCMSLIB00000854350","spectrum_index":4895},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380781-01_C15H20N2O5_","exact_mass":308.137,"inchikey":"QKTVHZCBVNESSR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.146606,"smiles":"CC(=O)NC(CCC(O)=O)C(=O)NCCC1=CC=C(O)C=C1","spectrum_id":"CCMSLIB00000854352","spectrum_index":4896},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380781-01_C15H20N2O5_","exact_mass":308.137,"inchikey":"QKTVHZCBVNESSR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.12854,"smiles":"CC(=O)NC(CCC(O)=O)C(=O)NCCC1=CC=C(O)C=C1","spectrum_id":"CCMSLIB00000854353","spectrum_index":4897},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380783-01_C24H26O9_","exact_mass":458.158,"inchikey":"PGZQNTPBISAIJS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":459.167328,"smiles":"COC(=O)C1=C(C(=O)C2=C(O)C3=C(OC4(C)CCCC3O4)C=C2OC)C(=CC(=C1)OC)OC","spectrum_id":"CCMSLIB00000854356","spectrum_index":4898},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380783-01_C24H26O9_","exact_mass":458.158,"inchikey":"PGZQNTPBISAIJS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.14917,"smiles":"COC(=O)C1=C(C(=O)C2=C(O)C3=C(OC4(C)CCCC3O4)C=C2OC)C(=CC(=C1)OC)OC","spectrum_id":"CCMSLIB00000854357","spectrum_index":4899},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380795-01_C19H22O5_(1R,2R,5R,8R,9S,10R,12S)-12-Hydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1~5,8~.0~1,10~.0~2,8~]heptadec-13-ene-9-carboxylic acid","exact_mass":330.147,"inchikey":"SEEGHKWOBVVBTQ-NFMPGMCNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.145355,"smiles":"C[C@]12[C@@H](O)\\C=C/[C@@]3(OC1=O)[C@@H]4CC[C@@H]5C[C@]4(CC5=C)[C@H]([C@H]23)C(O)=O","spectrum_id":"CCMSLIB00000854359","spectrum_index":4900},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380795-01_C19H22O5_(1R,2R,5R,8R,9S,10R,12S)-12-Hydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1~5,8~.0~1,10~.0~2,8~]heptadec-13-ene-9-carboxylic acid","exact_mass":330.147,"inchikey":"SEEGHKWOBVVBTQ-NFMPGMCNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":348.182709,"smiles":"C[C@]12[C@@H](O)\\C=C/[C@@]3(OC1=O)[C@@H]4CC[C@@H]5C[C@]4(CC5=C)[C@H]([C@H]23)C(O)=O","spectrum_id":"CCMSLIB00000854362","spectrum_index":4901},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380796-01_C28H39NO_2-Naphthalenol, decahydro-5-(1H-indol-3-ylmethyl)-1,4a-dimethyl-6-methylene-1-(4-methyl-3-penten-1-yl)-, (1S,2S,4aR,5R,8aR)-","exact_mass":405.303,"inchikey":"SYFJYRUTNACAQV-IPTPSVHJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.312622,"smiles":"CC(C)=CCC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H](CC3=C[NH]C4=C3C=CC=C4)C(=C)CC[C@@H]12","spectrum_id":"CCMSLIB00000854363","spectrum_index":4902},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380796-01_C28H39NO_2-Naphthalenol, decahydro-5-(1H-indol-3-ylmethyl)-1,4a-dimethyl-6-methylene-1-(4-methyl-3-penten-1-yl)-, (1S,2S,4aR,5R,8aR)-","exact_mass":405.303,"inchikey":"SYFJYRUTNACAQV-IPTPSVHJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":388.302094,"smiles":"CC(C)=CCC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H](CC3=C[NH]C4=C3C=CC=C4)C(=C)CC[C@@H]12","spectrum_id":"CCMSLIB00000854365","spectrum_index":4903},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169565-02_C20H30O2_(5xi,9xi,10alpha)-Kaur-16-en-18-oic acid","exact_mass":302.225,"inchikey":"NIKHGUQULKYIGE-MOWPSDGOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.234314,"smiles":"C[C@@]12CCC[C@](C)(C1CCC34CC(CCC23)C(=C)C4)C(O)=O","spectrum_id":"CCMSLIB00000854367","spectrum_index":4904},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169714-02_C30H48O5_(2alpha,3alpha,5xi,9xi,18xi)-2,3,19-Trihydroxyurs-12-en-28-oic acid","exact_mass":488.35,"inchikey":"OXVUXGFZHDKYLS-YFIQRXMRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.358887,"smiles":"C[C@@H]1CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)C5CC[C@@]34C)C2[C@]1(C)O)C(O)=O","spectrum_id":"CCMSLIB00000854370","spectrum_index":4905},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347847-02_C22H26O13_(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 3,4-dihydroxybenzoate","exact_mass":498.137,"inchikey":"DBUOUVZMYWYRRI-YWEKDMGLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.130371,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3[C@H](OC(=O)C4=CC=C(O)C(=C4)O)[C@@H]5O[C@]5(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000854371","spectrum_index":4906},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347858-02_C19H24O5_2-Propenoic acid, 2-methyl-, (3S,3aR,4S,4aR,7aR,8R,9aR)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4-yl ester","exact_mass":332.162,"inchikey":"NZESEVTYUVXOTC-APDQSUQKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.172119,"smiles":"C[C@@H]1C[C@H]2OC(=O)[C@@H](C)[C@H]2[C@H](OC(=O)C(C)=C)[C@@]3(C)[C@H]1\\C=C/C3=O","spectrum_id":"CCMSLIB00000854373","spectrum_index":4907},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347858-02_C19H24O5_2-Propenoic acid, 2-methyl-, (3S,3aR,4S,4aR,7aR,8R,9aR)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4-yl ester","exact_mass":332.162,"inchikey":"NZESEVTYUVXOTC-APDQSUQKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.158447,"smiles":"C[C@@H]1C[C@H]2OC(=O)[C@@H](C)[C@H]2[C@H](OC(=O)C(C)=C)[C@@]3(C)[C@H]1\\C=C/C3=O","spectrum_id":"CCMSLIB00000854376","spectrum_index":4908},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347858-02_C19H24O5_2-Propenoic acid, 2-methyl-, (3S,3aR,4S,4aR,7aR,8R,9aR)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4-yl ester","exact_mass":332.162,"inchikey":"NZESEVTYUVXOTC-APDQSUQKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.153931,"smiles":"C[C@@H]1C[C@H]2OC(=O)[C@@H](C)[C@H]2[C@H](OC(=O)C(C)=C)[C@@]3(C)[C@H]1\\C=C/C3=O","spectrum_id":"CCMSLIB00000854378","spectrum_index":4909},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386003-01_C18H22O4_2-(5-Acetyl-2,3-dihydro-1-benzofuran-2-yl)-2-propen-1-yl 3-methylbutanoate","exact_mass":302.152,"inchikey":"QKDHVEHKHGYWMD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.161682,"smiles":"CC(C)CC(=O)OCC(=C)C1CC2=CC(=CC=C2O1)C(C)=O","spectrum_id":"CCMSLIB00000854380","spectrum_index":4910},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386003-01_C18H22O4_2-(5-Acetyl-2,3-dihydro-1-benzofuran-2-yl)-2-propen-1-yl 3-methylbutanoate","exact_mass":302.152,"inchikey":"QKDHVEHKHGYWMD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.143646,"smiles":"CC(C)CC(=O)OCC(=C)C1CC2=CC(=CC=C2O1)C(C)=O","spectrum_id":"CCMSLIB00000854381","spectrum_index":4911},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386005-01_C60H100O24_","exact_mass":1204.66,"inchikey":"MYFGUVUCIFZKAK-ZZUUJVTCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1227.641602,"smiles":"COC1CC(OC(C)C1OC2CC(OC)C(OC3CC(OC)C(OC4OC(C)C(OC5OC(CO)C(O)C(O)C5O)C(OC)C4O)C(C)O3)C(C)O2)O[C@H]6CC[C@@]7(C)C(CCC8C7[C@H](O)[C@@H](O)[C@]9(C)[C@H](CC[C@]89O)[C@H](C)OC(=O)\\C(C)=C\\C)C6","spectrum_id":"CCMSLIB00000854383","spectrum_index":4912},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386106-01_C16H22O4_(1R,2E,6S,10E,11aS,14aR)-1-Hydroxy-6-methyl-6,7,8,9,11a,12,14,14a-octahydro-4H-cyclopenta[f]oxacyclotridecine-4,13(1H)-dione","exact_mass":278.152,"inchikey":"IKUWMGOXYQGWPC-ZBDJHBETSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.16095,"smiles":"C[C@@H]1CCC\\C=C\\[C@H]2CC(=O)C[C@@H]2[C@@H](O)\\C=C\\C(=O)O1","spectrum_id":"CCMSLIB00000854386","spectrum_index":4913},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386106-01_C16H22O4_(1R,2E,6S,10E,11aS,14aR)-1-Hydroxy-6-methyl-6,7,8,9,11a,12,14,14a-octahydro-4H-cyclopenta[f]oxacyclotridecine-4,13(1H)-dione","exact_mass":278.152,"inchikey":"IKUWMGOXYQGWPC-ZBDJHBETSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.15036,"smiles":"C[C@@H]1CCC\\C=C\\[C@H]2CC(=O)C[C@@H]2[C@@H](O)\\C=C\\C(=O)O1","spectrum_id":"CCMSLIB00000854388","spectrum_index":4914},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate","exact_mass":430.236,"inchikey":"VGNXXIHXIBOUBQ-KHYNBEDJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.195374,"smiles":"COC1=CC=C(C=C1)C(=O)O[C@H]2C\\C(=C/C[C@@]3(C)[C@H](C[C@@](O)(C(C)C)[C@H]23)OC(C)=O)C","spectrum_id":"CCMSLIB00000854390","spectrum_index":4915},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385576-01_C34H44O19_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-1-[[6-O-[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7aS)-","exact_mass":756.248,"inchikey":"VWHCJIZYMBSOMV-OROXWWDISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.261658,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](COC(=O)\\C=C\\C4=CC(=C(O)C(=C4)OC)OC)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]\\5[C@@H]1C\\C=C5CO","spectrum_id":"CCMSLIB00000854392","spectrum_index":4916},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385576-01_C34H44O19_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-1-[[6-O-[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7aS)-","exact_mass":756.248,"inchikey":"VWHCJIZYMBSOMV-OROXWWDISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":774.287476,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](COC(=O)\\C=C\\C4=CC(=C(O)C(=C4)OC)OC)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]\\5[C@@H]1C\\C=C5CO","spectrum_id":"CCMSLIB00000854393","spectrum_index":4917},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385576-01_C34H44O19_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-1-[[6-O-[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7aS)-","exact_mass":756.248,"inchikey":"VWHCJIZYMBSOMV-OROXWWDISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":779.243713,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](COC(=O)\\C=C\\C4=CC(=C(O)C(=C4)OC)OC)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]\\5[C@@H]1C\\C=C5CO","spectrum_id":"CCMSLIB00000854396","spectrum_index":4918},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385295-01_C48H60N6O16_","exact_mass":976.407,"inchikey":"KGNAXTMQQANFON-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":977.414551,"smiles":"COC1=CC=C(CC2N(C)C(=O)C(CCC(O)=O)NC(=O)C(C)NC(=O)C3CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(=C4)OC6=CC=C(CC(N(C)C(=O)C(C)NC2=O)C(=O)N3C)C=C6)C=C1","spectrum_id":"CCMSLIB00000854397","spectrum_index":4919},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385295-01_C48H60N6O16_","exact_mass":976.407,"inchikey":"KGNAXTMQQANFON-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":999.396362,"smiles":"COC1=CC=C(CC2N(C)C(=O)C(CCC(O)=O)NC(=O)C(C)NC(=O)C3CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(=C4)OC6=CC=C(CC(N(C)C(=O)C(C)NC2=O)C(=O)N3C)C=C6)C=C1","spectrum_id":"CCMSLIB00000854399","spectrum_index":4920},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385296-01_C26H34O11_[(2R,3R,4S)-6-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl beta-D-glucopyranoside","exact_mass":522.21,"inchikey":"BUQQDANPHQFSEK-QBCFYRCNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.221863,"smiles":"COC1=C(O)C=C2[C@@H]([C@@H](CO)[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC2=C1)C4=CC=C(O)C(=C4)OC","spectrum_id":"CCMSLIB00000854402","spectrum_index":4921},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385296-01_C26H34O11_[(2R,3R,4S)-6-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl beta-D-glucopyranoside","exact_mass":522.21,"inchikey":"BUQQDANPHQFSEK-QBCFYRCNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.203552,"smiles":"COC1=C(O)C=C2[C@@H]([C@@H](CO)[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC2=C1)C4=CC=C(O)C(=C4)OC","spectrum_id":"CCMSLIB00000854404","spectrum_index":4922},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385297-01_C34H41NO16_(1S,3R,13S,14S,17S,18R,19R,20S,21S,23R,24R,25S)-20-(Acetoxymethyl)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0~1,20~.0~3,23~.0~7,12~]pentacosa-7,9,11-triene-19,21,24-triyl triacetate","exact_mass":719.243,"inchikey":"KJMIDUOUTLARSE-RQZCZNQQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":720.2547,"smiles":"C[C@H]1[C@H](C)C2=C(C=CC=N2)C(=O)OC[C@]3(C)O[C@]45[C@H](OC(C)=O)[C@H]3C(=O)[C@@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H](OC(C)=O)[C@@H](O)[C@H](OC1=O)[C@]5(C)O","spectrum_id":"CCMSLIB00000854405","spectrum_index":4923},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385297-01_C34H41NO16_(1S,3R,13S,14S,17S,18R,19R,20S,21S,23R,24R,25S)-20-(Acetoxymethyl)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0~1,20~.0~3,23~.0~7,12~]pentacosa-7,9,11-triene-19,21,24-triyl triacetate","exact_mass":719.243,"inchikey":"KJMIDUOUTLARSE-RQZCZNQQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":742.23645,"smiles":"C[C@H]1[C@H](C)C2=C(C=CC=N2)C(=O)OC[C@]3(C)O[C@]45[C@H](OC(C)=O)[C@H]3C(=O)[C@@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H](OC(C)=O)[C@@H](O)[C@H](OC1=O)[C@]5(C)O","spectrum_id":"CCMSLIB00000854407","spectrum_index":4924},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385299-01_C17H24O11_Cyclopenta[c]pyran-4-carboxylic acid, 1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-oxo-, methyl ester","exact_mass":404.132,"inchikey":"PRZVXHGUJJPSME-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.125183,"smiles":"COC(=O)C/1=C/OC(OC2OC(CO)C(O)C(O)C2O)C3C(C)CC(=O)C13O","spectrum_id":"CCMSLIB00000854413","spectrum_index":4925},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385302-01_C42H68O14_(3beta,5xi,9xi)-3-{[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid","exact_mass":796.461,"inchikey":"WCMJLEULXWUCRF-QGHRCVSFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":797.472595,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000854415","spectrum_index":4926},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385302-01_C42H68O14_(3beta,5xi,9xi)-3-{[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid","exact_mass":796.461,"inchikey":"WCMJLEULXWUCRF-QGHRCVSFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":819.454712,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000854418","spectrum_index":4927},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380533-01_C16H18O10_","exact_mass":370.09,"inchikey":"YJSHRIGISKAHBT-JFTDWGSPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.080841,"smiles":"OC[C@H]1O[C@@H](OC2=CC3=C(OCO3)C=C2\\C=C\\C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000854420","spectrum_index":4928},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380534-01_C20H24O7_2-Propenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,10,11,11a-decahydro-3-(methoxymethyl)-6-methyl-10-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester","exact_mass":376.152,"inchikey":"VAFAXNHOIDDOAS-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.160583,"smiles":"COCC1C2C(CC(=C)\\C3=C/C(=O)C(C)(CC2OC(=O)C(C)=C)O3)OC1=O","spectrum_id":"CCMSLIB00000854422","spectrum_index":4929},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380535-01_C20H28O3_12-Oxopimara-9(11),15-dien-18-oic acid","exact_mass":316.204,"inchikey":"VNOMXNULTAUIDL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.212158,"smiles":"CC1(CC2CCC3C(C)(CCCC3(C)\\C2=C\\C1=O)C(O)=O)C=C","spectrum_id":"CCMSLIB00000854423","spectrum_index":4930},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380535-01_C20H28O3_12-Oxopimara-9(11),15-dien-18-oic acid","exact_mass":316.204,"inchikey":"VNOMXNULTAUIDL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.194611,"smiles":"CC1(CC2CCC3C(C)(CCCC3(C)\\C2=C\\C1=O)C(O)=O)C=C","spectrum_id":"CCMSLIB00000854425","spectrum_index":4931},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380538-01_C21H36O10_(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":448.231,"inchikey":"RSKTWDAINBIMPD-MCVCZSGFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":466.266327,"smiles":"CC1(C)C2CCC(CO[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C1C2","spectrum_id":"CCMSLIB00000854428","spectrum_index":4932},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380538-01_C21H36O10_(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":448.231,"inchikey":"RSKTWDAINBIMPD-MCVCZSGFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.220978,"smiles":"CC1(C)C2CCC(CO[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C1C2","spectrum_id":"CCMSLIB00000854429","spectrum_index":4933},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380541-01_C55H89NO20_","exact_mass":1083.6,"inchikey":"YXLFAIVUWSKRHO-HWYBYZGISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1084.601562,"smiles":"CC1OC(OC2C(O)C(C)OC(OC[C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7[C@@H]8CC(C)(C)CC[C@@]8(CC[C@@]67C)C(=O)OC9OCC(O)C(O)C9O)C4(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]3O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000854432","spectrum_index":4934},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380541-01_C55H89NO20_","exact_mass":1083.6,"inchikey":"YXLFAIVUWSKRHO-HWYBYZGISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1106.581543,"smiles":"CC1OC(OC2C(O)C(C)OC(OC[C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7[C@@H]8CC(C)(C)CC[C@@]8(CC[C@@]67C)C(=O)OC9OCC(O)C(O)C9O)C4(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]3O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000854433","spectrum_index":4935},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380542-01_C19H28O10_Pentonic acid, 4,5-dideoxy-3-C-methyl-, [4-(beta-D-glucopyranosyloxy)phenyl]methyl ester","exact_mass":416.168,"inchikey":"UKSHFSUBKYPKMO-VDKCXIARSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.203583,"smiles":"CCC(C)(O)C(O)C(=O)OCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000854435","spectrum_index":4936},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380542-01_C19H28O10_Pentonic acid, 4,5-dideoxy-3-C-methyl-, [4-(beta-D-glucopyranosyloxy)phenyl]methyl ester","exact_mass":416.168,"inchikey":"UKSHFSUBKYPKMO-VDKCXIARSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.158722,"smiles":"CCC(C)(O)C(O)C(=O)OCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1","spectrum_id":"CCMSLIB00000854437","spectrum_index":4937},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380545-01_C26H32O14_3-{(E)-2-[4-(beta-D-Glucopyranosyloxy)-2-hydroxyphenyl]vinyl}-5-hydroxyphenyl beta-D-glucopyranoside","exact_mass":568.179,"inchikey":"HPSWAEGGWLOOKT-OWOJBTEDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":569.187378,"smiles":"OCC1OC(OC2=CC(=C(C=C2)\\C=C\\C3=CC(=CC(=C3)OC4OC(CO)C(O)C(O)C4O)O)O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000854440","spectrum_index":4938},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380545-01_C26H32O14_3-{(E)-2-[4-(beta-D-Glucopyranosyloxy)-2-hydroxyphenyl]vinyl}-5-hydroxyphenyl beta-D-glucopyranoside","exact_mass":568.179,"inchikey":"HPSWAEGGWLOOKT-OWOJBTEDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":591.168091,"smiles":"OCC1OC(OC2=CC(=C(C=C2)\\C=C\\C3=CC(=CC(=C3)OC4OC(CO)C(O)C(O)C4O)O)O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000854441","spectrum_index":4939},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180267-02_C47H78N2O15_Hexopyranoside, 1-[7-[2-[1-[[2-(acetylamino)-2-deoxy-6-O-methylhexopyranosyl]oxy]-1-methylethyl]-3,4,4a,7,8,8a-hexahydro-4a-methyl-2H-1-benzopyran-6-yl]dodecahydro-5-hydroxy-6a,9b-dimethylindeno[5,4-b]pyran-3-yl]-1-methylethyl 2-(acetylamino)-2-deoxy-","exact_mass":910.54,"inchikey":"NLFUQHCGODFTIB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":911.545288,"smiles":"COCC1OC(OC(C)(C)C2CCC3(C)\\C=C(/CCC3O2)C4CCC5C6(C)CCC(OC6C(O)CC45C)C(C)(C)OC7OC(CO)C(O)C(O)C7NC(C)=O)C(NC(C)=O)C(O)C1O","spectrum_id":"CCMSLIB00000854443","spectrum_index":4940},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380613-01_C41H52N8O9_Cyclo[glycylprolyltryptophylglycyl-beta-hydroxy-3-(3-methyl-2-buten-1-yl)tyrosylglycylvalyl]","exact_mass":800.386,"inchikey":"LIHVMLWWVHJRMA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":801.391296,"smiles":"CC(C)C1NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(CC2=C[NH]C3=C2C=CC=C3)NC(=O)C4CCCN4C(=O)CNC1=O)C(O)C5=CC(=C(O)C=C5)CC=C(C)C","spectrum_id":"CCMSLIB00000854446","spectrum_index":4941},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380613-01_C41H52N8O9_Cyclo[glycylprolyltryptophylglycyl-beta-hydroxy-3-(3-methyl-2-buten-1-yl)tyrosylglycylvalyl]","exact_mass":800.386,"inchikey":"LIHVMLWWVHJRMA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":783.380371,"smiles":"CC(C)C1NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(CC2=C[NH]C3=C2C=CC=C3)NC(=O)C4CCCN4C(=O)CNC1=O)C(O)C5=CC(=C(O)C=C5)CC=C(C)C","spectrum_id":"CCMSLIB00000854448","spectrum_index":4942},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380613-01_C41H52N8O9_Cyclo[glycylprolyltryptophylglycyl-beta-hydroxy-3-(3-methyl-2-buten-1-yl)tyrosylglycylvalyl]","exact_mass":800.386,"inchikey":"LIHVMLWWVHJRMA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":823.373413,"smiles":"CC(C)C1NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(CC2=C[NH]C3=C2C=CC=C3)NC(=O)C4CCCN4C(=O)CNC1=O)C(O)C5=CC(=C(O)C=C5)CC=C(C)C","spectrum_id":"CCMSLIB00000854449","spectrum_index":4943},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380614-01_C24H23N5O4_2H-Pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione, 1-methyl-4-[[(2S,9S,9aS)-2,3,9,9a-tetrahydro-9-hydroxy-2-methyl-3-oxo-1H-imidazo[1,2-a]indol-9-yl]methyl]-, (1S,4R)-, (Fumiquinazoline A)","exact_mass":445.175,"inchikey":"DQQCCKFZJNINST-VCPZKGNQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":446.183441,"smiles":"C[C@@H]1N[C@H]2N(C1=O)C3=C(C=CC=C3)[C@@]2(O)C[C@H]4N5C(=O)C6=C(C=CC=C6)/N=C5/[C@H](C)NC4=O","spectrum_id":"CCMSLIB00000854451","spectrum_index":4944},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380614-01_C24H23N5O4_2H-Pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione, 1-methyl-4-[[(2S,9S,9aS)-2,3,9,9a-tetrahydro-9-hydroxy-2-methyl-3-oxo-1H-imidazo[1,2-a]indol-9-yl]methyl]-, (1S,4R)-","exact_mass":445.175,"inchikey":"DQQCCKFZJNINST-VCPZKGNQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":428.172852,"smiles":"C[C@@H]1N[C@H]2N(C1=O)C3=C(C=CC=C3)[C@@]2(O)C[C@H]4N5C(=O)C6=C(C=CC=C6)/N=C5/[C@H](C)NC4=O","spectrum_id":"CCMSLIB00000854453","spectrum_index":4945},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380615-01_C24H34O9_(3alpha,4beta,8alpha,12R)-4,15-Diacetoxy-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate","exact_mass":466.22,"inchikey":"BXFOFFBJRFZBQZ-FHAHJZMBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":467.228485,"smiles":"CC(C)CC(=O)O[C@H]\\1C[C@@]2(COC(C)=O)[C@H](O[C@@H]3[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]34CO4)\\C=C1C","spectrum_id":"CCMSLIB00000854456","spectrum_index":4946},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380615-01_C24H34O9_(3alpha,4beta,8alpha,12R)-4,15-Diacetoxy-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate","exact_mass":466.22,"inchikey":"BXFOFFBJRFZBQZ-FHAHJZMBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.210632,"smiles":"CC(C)CC(=O)O[C@H]\\1C[C@@]2(COC(C)=O)[C@H](O[C@@H]3[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]34CO4)\\C=C1C","spectrum_id":"CCMSLIB00000854457","spectrum_index":4947},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380616-01_C28H39NO7_Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalene]-7(3H)-acetic acid, 3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4,6',7'-trihydroxy-2',5',5',8'a-tetramethyl-alpha-(1-methylethyl)-6-oxo-, (alphaS,2R,2'R,6'S,7'R,8'aS)-","exact_mass":501.273,"inchikey":"JJWKFIISZGZPHY-PTNCSMPOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":502.281097,"smiles":"CC(C)[C@H](N1CC2=C(C=C(O)C3=C2O[C@]4(C3)[C@H](C)CCC5C(C)(C)[C@H](O)[C@H](O)C[C@]45C)C1=O)C(O)=O","spectrum_id":"CCMSLIB00000854459","spectrum_index":4948},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380616-01_C28H39NO7_Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalene]-7(3H)-acetic acid, 3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4,6',7'-trihydroxy-2',5',5',8'a-tetramethyl-alpha-(1-methylethyl)-6-oxo-, (alphaS,2R,2'R,6'S,7'R,8'aS)-","exact_mass":501.273,"inchikey":"JJWKFIISZGZPHY-PTNCSMPOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":524.262756,"smiles":"CC(C)[C@H](N1CC2=C(C=C(O)C3=C2O[C@]4(C3)[C@H](C)CCC5C(C)(C)[C@H](O)[C@H](O)C[C@]45C)C1=O)C(O)=O","spectrum_id":"CCMSLIB00000854461","spectrum_index":4949},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380617-01_C16H26O4_1-Oxaspiro[2.5]octan-6-ol, 5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-, (3R,4S,5S,6R)-","exact_mass":282.183,"inchikey":"CEVCTNCUIVEQOY-XOPOGPEOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.191559,"smiles":"CO[C@@H]1[C@H](O)CCC2(CO2)[C@H]1[C@@]3(C)O[C@@H]3CC=C(C)C","spectrum_id":"CCMSLIB00000854463","spectrum_index":4950},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380617-01_C16H26O4_1-Oxaspiro[2.5]octan-6-ol, 5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-, (3R,4S,5S,6R)-","exact_mass":282.183,"inchikey":"CEVCTNCUIVEQOY-XOPOGPEOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.180939,"smiles":"CO[C@@H]1[C@H](O)CCC2(CO2)[C@H]1[C@@]3(C)O[C@@H]3CC=C(C)C","spectrum_id":"CCMSLIB00000854466","spectrum_index":4951},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380617-01_C16H26O4_1-Oxaspiro[2.5]octan-6-ol, 5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-, (3R,4S,5S,6R)-","exact_mass":282.183,"inchikey":"CEVCTNCUIVEQOY-XOPOGPEOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.217499,"smiles":"CO[C@@H]1[C@H](O)CCC2(CO2)[C@H]1[C@@]3(C)O[C@@H]3CC=C(C)C","spectrum_id":"CCMSLIB00000854468","spectrum_index":4952},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380617-01_C16H26O4_1-Oxaspiro[2.5]octan-6-ol, 5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-, (3R,4S,5S,6R)-","exact_mass":282.183,"inchikey":"CEVCTNCUIVEQOY-XOPOGPEOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.173553,"smiles":"CO[C@@H]1[C@H](O)CCC2(CO2)[C@H]1[C@@]3(C)O[C@@H]3CC=C(C)C","spectrum_id":"CCMSLIB00000854469","spectrum_index":4953},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380617-01_C16H26O4_1-Oxaspiro[2.5]octan-6-ol, 5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-, (3R,4S,5S,6R)-","exact_mass":282.183,"inchikey":"CEVCTNCUIVEQOY-XOPOGPEOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":324.217987,"smiles":"CO[C@@H]1[C@H](O)CCC2(CO2)[C@H]1[C@@]3(C)O[C@@H]3CC=C(C)C","spectrum_id":"CCMSLIB00000854471","spectrum_index":4954},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380618-01_C27H32O8_(1'R,3'R,8'R,12'E,18'E,20'Z,24'R,25'S)-5',13',25'-Trimethyl-11'H,17'H,22'H-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.0~3,8~.0~8,25~]heptacosa[4,12,18,20]tetraene]-11',17',22'-trione","exact_mass":484.21,"inchikey":"GXCGYHWSYNQVHU-GYDJLPFWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.218567,"smiles":"CC/1=C/[C@H]2O[C@@H]3C[C@H]4OC(=O)\\C=C/C=C/C(=O)OCC/C(=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]35CO5)C","spectrum_id":"CCMSLIB00000854473","spectrum_index":4955},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380618-01_C27H32O8_(1'R,3'R,8'R,12'E,18'E,20'Z,24'R,25'S)-5',13',25'-Trimethyl-11'H,17'H,22'H-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.0~3,8~.0~8,25~]heptacosa[4,12,18,20]tetraene]-11',17',22'-trione","exact_mass":484.21,"inchikey":"GXCGYHWSYNQVHU-GYDJLPFWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":502.24472,"smiles":"CC/1=C/[C@H]2O[C@@H]3C[C@H]4OC(=O)\\C=C/C=C/C(=O)OCC/C(=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]35CO5)C","spectrum_id":"CCMSLIB00000854476","spectrum_index":4956},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380618-01_C27H32O8_(1'R,3'R,8'R,12'E,18'E,20'Z,24'R,25'S)-5',13',25'-Trimethyl-11'H,17'H,22'H-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.0~3,8~.0~8,25~]heptacosa[4,12,18,20]tetraene]-11',17',22'-trione","exact_mass":484.21,"inchikey":"GXCGYHWSYNQVHU-GYDJLPFWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":507.200043,"smiles":"CC/1=C/[C@H]2O[C@@H]3C[C@H]4OC(=O)\\C=C/C=C/C(=O)OCC/C(=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]35CO5)C","spectrum_id":"CCMSLIB00000854477","spectrum_index":4957},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380124-01_C38H63NO10_Hexopyranoside, 1-[6-[dodecahydro-5-hydroxy-3-(1-hydroxy-1-methylethyl)-6a,9b-dimethylindeno[5,4-b]pyran-7-yl]-3,4,4a,7,8,8a-hexahydro-4a-methyl-2H-1-benzopyran-2-yl]-1-methylethyl 2-(acetylamino)-2-deoxy-","exact_mass":693.445,"inchikey":"WTTUCZFXXPBCMB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":694.451294,"smiles":"CC(=O)NC1C(O)C(O)C(CO)OC1OC(C)(C)C2CCC3(C)/C=C(CCC3O2)/C4CCC5C4(C)CC(O)C6OC(CCC56C)C(C)(C)O","spectrum_id":"CCMSLIB00000854480","spectrum_index":4958},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380124-01_C38H63NO10_Hexopyranoside, 1-[6-[dodecahydro-5-hydroxy-3-(1-hydroxy-1-methylethyl)-6a,9b-dimethylindeno[5,4-b]pyran-7-yl]-3,4,4a,7,8,8a-hexahydro-4a-methyl-2H-1-benzopyran-2-yl]-1-methylethyl 2-(acetylamino)-2-deoxy-","exact_mass":693.445,"inchikey":"WTTUCZFXXPBCMB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":716.432007,"smiles":"CC(=O)NC1C(O)C(O)C(CO)OC1OC(C)(C)C2CCC3(C)/C=C(CCC3O2)/C4CCC5C4(C)CC(O)C6OC(CCC56C)C(C)(C)O","spectrum_id":"CCMSLIB00000854481","spectrum_index":4959},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380126-01_C42H64O17_Carda-5,20(22)-dienolide, 3-[[O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl]oxy]-14-hydroxy-, (3beta,8xi,9xi)-","exact_mass":840.414,"inchikey":"SGHWOXDXPYEOMN-DLVRKCPNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":863.399841,"smiles":"CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]4CC[C@]5(C)C6CC[C@]7(C)[C@H](CC[C@]7(O)C6C/C=C5/C4)\\C8=C\\C(=O)OC8","spectrum_id":"CCMSLIB00000854483","spectrum_index":4960},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380128-01_C39H62O12_alpha-L-Mannopyranoside, (1beta,3alpha,8xi,9xi,14xi,25S)-3-hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-","exact_mass":722.424,"inchikey":"OWGURJWJHWYCIQ-KDGNORDSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":723.429504,"smiles":"C[C@H]1CC[C@@]2(OC1)O[C@H]3CC4C5C/C=C6/C[C@H](O)C[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@]6(C)C5CC[C@]4(C)[C@H]3[C@@H]2C","spectrum_id":"CCMSLIB00000854486","spectrum_index":4961},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380130-01_C15H26O4_1,2-Naphthalenedimethanol, 1,4,4a,5,6,7,8,8a-octahydro-1,4-dihydroxy-5,5,8a-trimethyl-","exact_mass":270.183,"inchikey":"HUZKUSWQRONLOJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.216827,"smiles":"CC1(C)CCCC2(C)C1C(O)\\C=C(CO)/C2(O)CO","spectrum_id":"CCMSLIB00000854488","spectrum_index":4962},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380130-01_C15H26O4_1,2-Naphthalenedimethanol, 1,4,4a,5,6,7,8,8a-octahydro-1,4-dihydroxy-5,5,8a-trimethyl-","exact_mass":270.183,"inchikey":"HUZKUSWQRONLOJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.172272,"smiles":"CC1(C)CCCC2(C)C1C(O)\\C=C(CO)/C2(O)CO","spectrum_id":"CCMSLIB00000854490","spectrum_index":4963},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380131-01_C22H26O7_7-Hydroxy-7-methyl-8-oxo-3-propyl-5,6,7,8-tetrahydro-1H-isochromen-6-yl 2-hydroxy-4-methoxy-6-methylbenzoate","exact_mass":402.168,"inchikey":"PHCSXGHZIAKXHR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.17569,"smiles":"CCCC/1=C/C2=C(CO1)/C(=O)C(C)(O)C(C2)OC(=O)C3=C(O)C=C(OC)C=C3C","spectrum_id":"CCMSLIB00000854491","spectrum_index":4964},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380131-01_C22H26O7_7-Hydroxy-7-methyl-8-oxo-3-propyl-5,6,7,8-tetrahydro-1H-isochromen-6-yl 2-hydroxy-4-methoxy-6-methylbenzoate","exact_mass":402.168,"inchikey":"PHCSXGHZIAKXHR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.157074,"smiles":"CCCC/1=C/C2=C(CO1)/C(=O)C(C)(O)C(C2)OC(=O)C3=C(O)C=C(OC)C=C3C","spectrum_id":"CCMSLIB00000854493","spectrum_index":4965},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380134-01_C25H30O8_3-Furancarboxylic acid, (3R,5S,5aS,6S,9aR)-octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5,6-diyl ester","exact_mass":458.194,"inchikey":"XTSYDGXYRUWSFF-JYGYHQQQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":459.201294,"smiles":"CC1(C)O[C@]23C[C@H]1C[C@H](OC(=O)C4=COC=C4)[C@]2(C)[C@H](CCC3(C)O)OC(=O)C5=COC=C5","spectrum_id":"CCMSLIB00000854496","spectrum_index":4966},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380134-01_C25H30O8_3-Furancarboxylic acid, (3R,5S,5aS,6S,9aR)-octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5,6-diyl ester","exact_mass":458.194,"inchikey":"XTSYDGXYRUWSFF-JYGYHQQQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.194336,"smiles":"CC1(C)O[C@]23C[C@H]1C[C@H](OC(=O)C4=COC=C4)[C@]2(C)[C@H](CCC3(C)O)OC(=O)C5=COC=C5","spectrum_id":"CCMSLIB00000854497","spectrum_index":4967},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381455-01_C20H26O6_Propanoic acid, 2-methyl-, (3aS,4S,5S,6E,10E,11aR)-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-5-methoxy-10-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester","exact_mass":362.173,"inchikey":"SKCDPGIEMVQDCR-QZSWEDNISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":380.20694,"smiles":"CO[C@@H]\\1[C@@H](OC(=O)C(C)C)[C@@H]2[C@H](OC(=O)C2=C)/C=C(C)/CC\\C=C1C=O","spectrum_id":"CCMSLIB00000854500","spectrum_index":4968},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347826-02_C22H34O6_2-Hydroxy-2'',5'',5'',8a''-tetramethyl-5-oxododecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-4''-yl acetate","exact_mass":394.236,"inchikey":"MQGBHJVUCRXIRM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":412.269958,"smiles":"CC1CC(OC(C)=O)C2C(C)(C)CCCC2(C)C13CCC4(CC(=O)OC4O)O3","spectrum_id":"CCMSLIB00000854501","spectrum_index":4969},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347826-02_C22H34O6_2-Hydroxy-2'',5'',5'',8a''-tetramethyl-5-oxododecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-4''-yl acetate","exact_mass":394.236,"inchikey":"MQGBHJVUCRXIRM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.225159,"smiles":"CC1CC(OC(C)=O)C2C(C)(C)CCCC2(C)C13CCC4(CC(=O)OC4O)O3","spectrum_id":"CCMSLIB00000854504","spectrum_index":4970},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385219-01_C17H20O4_3,6,9-Tris(methylene)-2-oxododecahydroazuleno[4,5-b]furan-8-yl acetate","exact_mass":288.136,"inchikey":"GKMFOEIZCLMZDE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":306.170685,"smiles":"CC(=O)OC1CC2C(C3OC(=O)C(=C)C3CCC2=C)C1=C","spectrum_id":"CCMSLIB00000854505","spectrum_index":4971},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385221-01_C23H32O15_alpha-D-Glucopyranoside, beta-D-fructofuranosyl 6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-","exact_mass":548.174,"inchikey":"DJBWDHVUJCXYBH-IBVGEFGBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":571.163269,"smiles":"COC1=CC(=CC(=C1O)OC)\\C=C\\C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O","spectrum_id":"CCMSLIB00000854507","spectrum_index":4972},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385222-01_C19H26O13_beta-D-Fructofuranosyl 6-O-(4-hydroxybenzoyl)-alpha-D-glucopyranoside","exact_mass":462.137,"inchikey":"CDTIMEVVBBGLIF-OVUASUNJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.126739,"smiles":"OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(=O)C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000854509","spectrum_index":4973},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385224-01_C24H42O12_6-Hydroxy-2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-8-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":522.268,"inchikey":"PXBJHMFLTVPWQM-BJPXCADXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":505.264282,"smiles":"CC1CCC2(O1)C(C)(C)CC(CC2(C)O)O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000854511","spectrum_index":4974},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385224-01_C24H42O12_6-Hydroxy-2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-8-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":522.268,"inchikey":"PXBJHMFLTVPWQM-BJPXCADXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.300964,"smiles":"CC1CCC2(O1)C(C)(C)CC(CC2(C)O)O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000854514","spectrum_index":4975},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385224-01_C24H42O12_6-Hydroxy-2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-8-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","exact_mass":522.268,"inchikey":"PXBJHMFLTVPWQM-BJPXCADXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.256409,"smiles":"CC1CCC2(O1)C(C)(C)CC(CC2(C)O)O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000854516","spectrum_index":4976},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385225-01_C18H17NO5_L-Tyrosine, N-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-","exact_mass":327.111,"inchikey":"LEEDEKWKJVUWGA-AVFOEOQDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":328.118561,"smiles":"OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)\\C=C/C2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000854517","spectrum_index":4977},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385225-01_C18H17NO5_L-Tyrosine, N-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-","exact_mass":327.111,"inchikey":"LEEDEKWKJVUWGA-AVFOEOQDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":350.100708,"smiles":"OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)\\C=C/C2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00000854520","spectrum_index":4978},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385227-01_C16H24O8_beta-D-Glucopyranoside, 4-(3-hydroxypropyl)-2-methoxyphenyl","exact_mass":344.147,"inchikey":"QFYFLJZBZITPGX-IBEHDNSVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.181549,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(=C1)CCCO","spectrum_id":"CCMSLIB00000854522","spectrum_index":4979},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385227-01_C16H24O8_beta-D-Glucopyranoside, 4-(3-hydroxypropyl)-2-methoxyphenyl","exact_mass":344.147,"inchikey":"QFYFLJZBZITPGX-IBEHDNSVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.136902,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(=C1)CCCO","spectrum_id":"CCMSLIB00000854524","spectrum_index":4980},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169028-02_C25H34O8_1H-Furo[3,4-b]xanthene-9-propanoic acid, 3,5a,6,7,8,9,9a,10-octahydro-7-hydroxy-8-(1-hydroxy-1-methylethyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-","exact_mass":462.225,"inchikey":"NNOMPFCNQCRAIO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.236084,"smiles":"COC1=C2CC3C(C)(CC(O)C(C(C)(C)O)C3(C)CCC(O)=O)OC2=C(C)C4=C1C(=O)OC4","spectrum_id":"CCMSLIB00000854525","spectrum_index":4981},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169028-02_C25H34O8_1H-Furo[3,4-b]xanthene-9-propanoic acid, 3,5a,6,7,8,9,9a,10-octahydro-7-hydroxy-8-(1-hydroxy-1-methylethyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-","exact_mass":462.225,"inchikey":"NNOMPFCNQCRAIO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.225311,"smiles":"COC1=C2CC3C(C)(CC(O)C(C(C)(C)O)C3(C)CCC(O)=O)OC2=C(C)C4=C1C(=O)OC4","spectrum_id":"CCMSLIB00000854527","spectrum_index":4982},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380637-01_C28H34O8_2(5H)-Furanone, 5-[(1S,2S,3R,4R,7S)-5,7-dihydroxy-4,7-dimethyl-8-oxo-6-[(2E,4E)-1-oxo-2,4-hexadien-1-yl]-3-[(4E)-1-oxo-4-hexen-1-yl]bicyclo[2.2.2]oct-5-en-2-yl]-4-hydroxy-3,5-dimethyl-, (5R)-","exact_mass":498.225,"inchikey":"CXIHBIKIPKUWBP-YPGLNHEQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.235992,"smiles":"C\\C=C\\CCC(=O)[C@@H]1[C@H]([C@H]2\\C(=C(O)/[C@]1(C)C(=O)[C@@]2(C)O)C(=O)/C=C/C=C/C)[C@@]\\3(C)OC(=O)\\C(=C3O)C","spectrum_id":"CCMSLIB00000854529","spectrum_index":4983},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380637-01_C28H34O8_2(5H)-Furanone, 5-[(1S,2S,3R,4R,7S)-5,7-dihydroxy-4,7-dimethyl-8-oxo-6-[(2E,4E)-1-oxo-2,4-hexadien-1-yl]-3-[(4E)-1-oxo-4-hexen-1-yl]bicyclo[2.2.2]oct-5-en-2-yl]-4-hydroxy-3,5-dimethyl-, (5R)-","exact_mass":498.225,"inchikey":"CXIHBIKIPKUWBP-YPGLNHEQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.225281,"smiles":"C\\C=C\\CCC(=O)[C@@H]1[C@H]([C@H]2\\C(=C(O)/[C@]1(C)C(=O)[C@@]2(C)O)C(=O)/C=C/C=C/C)[C@@]\\3(C)OC(=O)\\C(=C3O)C","spectrum_id":"CCMSLIB00000854532","spectrum_index":4984},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380637-01_C28H34O8_2(5H)-Furanone, 5-[(1S,2S,3R,4R,7S)-5,7-dihydroxy-4,7-dimethyl-8-oxo-6-[(2E,4E)-1-oxo-2,4-hexadien-1-yl]-3-[(4E)-1-oxo-4-hexen-1-yl]bicyclo[2.2.2]oct-5-en-2-yl]-4-hydroxy-3,5-dimethyl-, (5R)-","exact_mass":498.225,"inchikey":"CXIHBIKIPKUWBP-YPGLNHEQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.217651,"smiles":"C\\C=C\\CCC(=O)[C@@H]1[C@H]([C@H]2\\C(=C(O)/[C@]1(C)C(=O)[C@@]2(C)O)C(=O)/C=C/C=C/C)[C@@]\\3(C)OC(=O)\\C(=C3O)C","spectrum_id":"CCMSLIB00000854533","spectrum_index":4985},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380642-01_C26H34O7_1,1,5a,7a,9,11b-Hexamethyl-7-methylene-3,8,11-trioxo-3,5a,5b,6,7,7a,8,9,11,11a,11b,12,13,13a-tetradecahydro-1H-isochromeno[7,8-g][2]benzoxepin-12-yl acetate","exact_mass":458.23,"inchikey":"JFYYCQXZVIOBKU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":459.240906,"smiles":"CC1OC(=O)C2C3(C)C(CC4C(C)(C)OC(=O)\\C=C/C4(C)C3CC(=C)C2(C)C1=O)OC(C)=O","spectrum_id":"CCMSLIB00000854536","spectrum_index":4986},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380642-01_C26H34O7_1,1,5a,7a,9,11b-Hexamethyl-7-methylene-3,8,11-trioxo-3,5a,5b,6,7,7a,8,9,11,11a,11b,12,13,13a-tetradecahydro-1H-isochromeno[7,8-g][2]benzoxepin-12-yl acetate","exact_mass":458.23,"inchikey":"JFYYCQXZVIOBKU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.224152,"smiles":"CC1OC(=O)C2C3(C)C(CC4C(C)(C)OC(=O)\\C=C/C4(C)C3CC(=C)C2(C)C1=O)OC(C)=O","spectrum_id":"CCMSLIB00000854537","spectrum_index":4987},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380647-01_C17H30O12_alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 3-(2-methylbutanoate)","exact_mass":426.174,"inchikey":"SFAOCCXTEHOWEV-AGJOLMTFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.184784,"smiles":"CCC(C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000854540","spectrum_index":4988},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380647-01_C17H30O12_alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 3-(2-methylbutanoate)","exact_mass":426.174,"inchikey":"SFAOCCXTEHOWEV-AGJOLMTFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.166595,"smiles":"CCC(C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00000854541","spectrum_index":4989},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179862-03_C20H32O2_1-Naphthalenecarboxaldehyde, decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1R,4aR,5S)-","exact_mass":304.24,"inchikey":"FSLWKIHHQUNBQK-LDGRNEMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.248657,"smiles":"C\\C(CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C=O)=C/CO","spectrum_id":"CCMSLIB00000854548","spectrum_index":4990},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179862-03_C20H32O2_1-Naphthalenecarboxaldehyde, decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1R,4aR,5S)-","exact_mass":304.24,"inchikey":"FSLWKIHHQUNBQK-LDGRNEMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.237885,"smiles":"C\\C(CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C=O)=C/CO","spectrum_id":"CCMSLIB00000854550","spectrum_index":4991},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179862-03_C20H32O2_1-Naphthalenecarboxaldehyde, decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1R,4aR,5S)-","exact_mass":304.24,"inchikey":"FSLWKIHHQUNBQK-LDGRNEMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.230743,"smiles":"C\\C(CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C=O)=C/CO","spectrum_id":"CCMSLIB00000854551","spectrum_index":4992},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381393-01_C17H22O4_3,8a-Dimethyl-5-methylene-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-8-yl acetate","exact_mass":290.152,"inchikey":"PQZAVXWUUFLUKB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.160522,"smiles":"CC(=O)OC1CCC(=C)C2C\\C3=C(/C)C(=O)OC3CC12C","spectrum_id":"CCMSLIB00000854553","spectrum_index":4993},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381393-01_C17H22O4_3,8a-Dimethyl-5-methylene-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-8-yl acetate","exact_mass":290.152,"inchikey":"PQZAVXWUUFLUKB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.147156,"smiles":"CC(=O)OC1CCC(=C)C2C\\C3=C(/C)C(=O)OC3CC12C","spectrum_id":"CCMSLIB00000854556","spectrum_index":4994},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381395-01_C13H15NO2_(5S)-5-Acetyl-1-benzyl-2-pyrrolidinone","exact_mass":217.11,"inchikey":"FIFRJJLOOYYYOZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":218.118011,"smiles":"CC(=O)C1CCC(=O)N1CC2=CC=CC=C2","spectrum_id":"CCMSLIB00000854557","spectrum_index":4995},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381395-01_C13H15NO2_(5S)-5-Acetyl-1-benzyl-2-pyrrolidinone","exact_mass":217.11,"inchikey":"FIFRJJLOOYYYOZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":240.100082,"smiles":"CC(=O)C1CCC(=O)N1CC2=CC=CC=C2","spectrum_id":"CCMSLIB00000854560","spectrum_index":4996},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381398-01_C17H26O4_6-[(2E,4E)-4,6-Dimethyl-2,4-octadienoyl]-2,3-dihydroxy-2-methylcyclohexanone","exact_mass":294.183,"inchikey":"WENIPMPCVBSESB-VTKKNFPDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.191376,"smiles":"CCC(C)/C=C(C)/C=C/C(=O)C1CCC(O)C(C)(O)C1=O","spectrum_id":"CCMSLIB00000854562","spectrum_index":4997},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381398-01_C17H26O4_6-[(2E,4E)-4,6-Dimethyl-2,4-octadienoyl]-2,3-dihydroxy-2-methylcyclohexanone","exact_mass":294.183,"inchikey":"WENIPMPCVBSESB-VTKKNFPDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.180878,"smiles":"CCC(C)/C=C(C)/C=C/C(=O)C1CCC(O)C(C)(O)C1=O","spectrum_id":"CCMSLIB00000854563","spectrum_index":4998},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381398-01_C17H26O4_6-[(2E,4E)-4,6-Dimethyl-2,4-octadienoyl]-2,3-dihydroxy-2-methylcyclohexanone","exact_mass":294.183,"inchikey":"WENIPMPCVBSESB-VTKKNFPDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.173584,"smiles":"CCC(C)/C=C(C)/C=C/C(=O)C1CCC(O)C(C)(O)C1=O","spectrum_id":"CCMSLIB00000854566","spectrum_index":4999},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381403-01_C15H22O2_1,7,7-Trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid","exact_mass":234.162,"inchikey":"DCFDRCCHOOORSB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.170303,"smiles":"CC1CCC2\\C(=C/C3CC(C)(C)CC123)C(O)=O","spectrum_id":"CCMSLIB00000854567","spectrum_index":5000},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381404-01_C14H22O3_2-Naphthalenecarboxylic acid, 3,4,4a,5,6,7,8,8a-octahydro-3-hydroxy-5,5,8a-trimethyl-","exact_mass":238.157,"inchikey":"LQZXAHKUYJVAAR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":221.153961,"smiles":"CC1(C)CCCC2(C)\\C=C(/C(O)CC12)C(O)=O","spectrum_id":"CCMSLIB00000854569","spectrum_index":5001},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169266-02_C16H16O4_2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)-","exact_mass":272.105,"inchikey":"XRVFNNUXNVWYTI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.11322,"smiles":"COC1=CC(=C(C=C1)C2COC3=C(C2)C=CC(=C3)O)O","spectrum_id":"CCMSLIB00000854571","spectrum_index":5002},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347591-02_C50H64O14_","exact_mass":888.43,"inchikey":"GOMGANBHXVPZLC-WZXLXTKGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":889.434204,"smiles":"COC1=CC(=C(C(=O)OC2C(C)OC(OC3CCC(C)C4C3\\C=C(\\C)C5\\C(=C\\CC\\C(=C\\C6(C)\\C=C(/C(C)CC6\\7OC(=O)\\C(=C7O)C(=O)C45C)C(O)=O)C)C)C(O)C2O)C(=C1)OC)C","spectrum_id":"CCMSLIB00000854573","spectrum_index":5003},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347591-02_C50H64O14_","exact_mass":888.43,"inchikey":"GOMGANBHXVPZLC-WZXLXTKGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":911.415649,"smiles":"COC1=CC(=C(C(=O)OC2C(C)OC(OC3CCC(C)C4C3\\C=C(\\C)C5\\C(=C\\CC\\C(=C\\C6(C)\\C=C(/C(C)CC6\\7OC(=O)\\C(=C7O)C(=O)C45C)C(O)=O)C)C)C(O)C2O)C(=C1)OC)C","spectrum_id":"CCMSLIB00000854576","spectrum_index":5004},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384740-01_C21H34O9_2(1H)-Azulenone, 6-(beta-D-glucopyranosyloxy)-4,5,6,7,8,8a-hexahydro-5-hydroxy-5-(1-hydroxy-1-methylethyl)-3,8-dimethyl-","exact_mass":430.22,"inchikey":"HVAVGMDRUJHUOH-UURFWDJCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.229248,"smiles":"CC1CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)(CC/3=C(C)/C(=O)CC13)C(C)(C)O","spectrum_id":"CCMSLIB00000854577","spectrum_index":5005},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384740-01_C21H34O9_2(1H)-Azulenone, 6-(beta-D-glucopyranosyloxy)-4,5,6,7,8,8a-hexahydro-5-hydroxy-5-(1-hydroxy-1-methylethyl)-3,8-dimethyl-","exact_mass":430.22,"inchikey":"HVAVGMDRUJHUOH-UURFWDJCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.211548,"smiles":"CC1CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)(CC/3=C(C)/C(=O)CC13)C(C)(C)O","spectrum_id":"CCMSLIB00000854580","spectrum_index":5006},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384741-01_C19H32O7_2-Cyclohexen-1-one, 3-[3-(beta-D-glucopyranosyloxy)butyl]-2,4,4-trimethyl-","exact_mass":372.215,"inchikey":"MRTYYJWDYPABSE-CAOIYLRSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.223785,"smiles":"CC(CCC/1=C(C)/C(=O)CCC1(C)C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000854581","spectrum_index":5007},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384741-01_C19H32O7_2-Cyclohexen-1-one, 3-[3-(beta-D-glucopyranosyloxy)butyl]-2,4,4-trimethyl-","exact_mass":372.215,"inchikey":"MRTYYJWDYPABSE-CAOIYLRSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.205933,"smiles":"CC(CCC/1=C(C)/C(=O)CCC1(C)C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000854583","spectrum_index":5008},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384745-01_C27H34O14_3-Phenyl-1-{2,4,6-trihydroxy-3,5-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]phenyl}-1-propanone","exact_mass":582.195,"inchikey":"OMPFZUXZCIVLSI-DBGLWBBTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":583.202759,"smiles":"OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C(=C(O)C(=C2O)C(=O)CCC3=CC=CC=C3)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000854585","spectrum_index":5009},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384745-01_C27H34O14_3-Phenyl-1-{2,4,6-trihydroxy-3,5-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]phenyl}-1-propanone","exact_mass":582.195,"inchikey":"OMPFZUXZCIVLSI-DBGLWBBTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.192627,"smiles":"OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C(=C(O)C(=C2O)C(=O)CCC3=CC=CC=C3)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000854587","spectrum_index":5010},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384745-01_C27H34O14_3-Phenyl-1-{2,4,6-trihydroxy-3,5-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]phenyl}-1-propanone","exact_mass":582.195,"inchikey":"OMPFZUXZCIVLSI-DBGLWBBTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":605.184082,"smiles":"OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C(=C(O)C(=C2O)C(=O)CCC3=CC=CC=C3)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000854590","spectrum_index":5011},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384750-01_C20H28O14_alpha-D-Glucopyranoside, beta-L-fructofuranosyl, 6-(4-hydroxy-3-methoxybenzoate)","exact_mass":492.148,"inchikey":"CFTZBGSPPBNRNF-GXFVINSESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":515.139282,"smiles":"COC1=C(O)C=CC(=C1)C(=O)OC[C@H]2O[C@H](O[C@@]3(CO)O[C@@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O","spectrum_id":"CCMSLIB00000854591","spectrum_index":5012},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384753-01_C17H18O5_3-(2-Hydroxy-3,4-dimethoxyphenyl)-7-chromanol","exact_mass":302.115,"inchikey":"NQRBAPDEZYMKFL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.124115,"smiles":"COC1=CC=C(C2COC3=CC(=CC=C3C2)O)C(=C1OC)O","spectrum_id":"CCMSLIB00000854593","spectrum_index":5013},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384753-01_C17H18O5_3-(2-Hydroxy-3,4-dimethoxyphenyl)-7-chromanol","exact_mass":302.115,"inchikey":"NQRBAPDEZYMKFL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.151154,"smiles":"COC1=CC=C(C2COC3=CC(=CC=C3C2)O)C(=C1OC)O","spectrum_id":"CCMSLIB00000854596","spectrum_index":5014},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384762-01_C19H28O10_beta-D-Glucopyranoside, 2-phenylethyl 2-O-beta-D-xylopyranosyl-","exact_mass":416.168,"inchikey":"CGZNTHDUAFIKOH-BMVMOQKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.203674,"smiles":"OC[C@H]1O[C@@H](OCCC2=CC=CC=C2)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000854598","spectrum_index":5015},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384762-01_C19H28O10_beta-D-Glucopyranoside, 2-phenylethyl 2-O-beta-D-xylopyranosyl-","exact_mass":416.168,"inchikey":"CGZNTHDUAFIKOH-BMVMOQKNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.159302,"smiles":"OC[C@H]1O[C@@H](OCCC2=CC=CC=C2)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000854599","spectrum_index":5016},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347804-02_C25H32O8_2,20-Dihydroxy-13-methoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.0~1,17~.0~4,16~.0~6,14~.0~8,12~]tricosa-6(14),7,12-trien-11-one","exact_mass":460.21,"inchikey":"ZFKOTULZHLMUJE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.21347,"smiles":"COC1=C2CC3C(C)(CC(O)C45OC(O)(CCC34C)OC5(C)C)OC2=C(C)C6=C1C(=O)OC6","spectrum_id":"CCMSLIB00000854601","spectrum_index":5017},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381048-01_C25H26O7_","exact_mass":438.168,"inchikey":"YEOVVCBEYCCOOP-VGOFMYFVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.171478,"smiles":"CC(C)=CCC/C(C)=C/CC1=C(O)C(=C(O)C=C1)C2OC(=O)C3=C2C(=CC(=C3)C(O)=O)O","spectrum_id":"CCMSLIB00000854603","spectrum_index":5018},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381048-01_C25H26O7_","exact_mass":438.168,"inchikey":"YEOVVCBEYCCOOP-VGOFMYFVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":480.197754,"smiles":"CC(C)=CCC/C(C)=C/CC1=C(O)C(=C(O)C=C1)C2OC(=O)C3=C2C(=CC(=C3)C(O)=O)O","spectrum_id":"CCMSLIB00000854605","spectrum_index":5019},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381049-01_C10H11NO4_","exact_mass":209.069,"inchikey":"WNMPQEGJLZLCFC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":210.074295,"smiles":"OC(=O)C\\1CC2OC(=C)C(=O)NC2\\C=C1","spectrum_id":"CCMSLIB00000854607","spectrum_index":5020},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381049-01_C10H11NO4_","exact_mass":209.069,"inchikey":"WNMPQEGJLZLCFC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":232.058746,"smiles":"OC(=O)C\\1CC2OC(=C)C(=O)NC2\\C=C1","spectrum_id":"CCMSLIB00000854609","spectrum_index":5021},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381051-01_C29H39NO8_2-(4-Hydroxy-6-methoxy-1-oxo-5-{[(2E,6Z)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]oxy}-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid","exact_mass":529.268,"inchikey":"XVPVYSHSGBUSAR-RPGLOVOBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":530.270508,"smiles":"COC1=CC2=C(CN(C(CCC(O)=O)C(O)=O)C2=O)C(=C1OC\\C=C(C)\\CC\\C=C(C)/CCC=C(C)C)O","spectrum_id":"CCMSLIB00000854611","spectrum_index":5022},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381051-01_C29H39NO8_2-(4-Hydroxy-6-methoxy-1-oxo-5-{[(2E,6Z)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]oxy}-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid","exact_mass":529.268,"inchikey":"XVPVYSHSGBUSAR-RPGLOVOBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":552.252014,"smiles":"COC1=CC2=C(CN(C(CCC(O)=O)C(O)=O)C2=O)C(=C1OC\\C=C(C)\\CC\\C=C(C)/CCC=C(C)C)O","spectrum_id":"CCMSLIB00000854613","spectrum_index":5023},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381053-01_C31H44O12_beta-D-Glucopyranoside, 5-(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pentyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-","exact_mass":608.283,"inchikey":"JYQIWENZJDPRSV-WHJIMDRXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.28479,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(CCCCC3=CC=C(O)C=C3)CCC4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000854615","spectrum_index":5024},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381053-01_C31H44O12_beta-D-Glucopyranoside, 5-(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pentyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-","exact_mass":608.283,"inchikey":"JYQIWENZJDPRSV-WHJIMDRXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":626.310974,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(CCCCC3=CC=C(O)C=C3)CCC4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000854618","spectrum_index":5025},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381056-01_C22H33NO6_Valine, N-acetyl-, 1,3,5,5a,6,7,8,9,9a,9b-decahydro-9b-hydroxy-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-9-yl ester","exact_mass":407.231,"inchikey":"DFGYGTWTXGTQIC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":408.234985,"smiles":"CC(C)C(NC(C)=O)C(=O)OC1CCC(C)(C)C2C\\C=C/3C(=O)OCC3(O)C12C","spectrum_id":"CCMSLIB00000854620","spectrum_index":5026},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381056-01_C22H33NO6_Valine, N-acetyl-, 1,3,5,5a,6,7,8,9,9a,9b-decahydro-9b-hydroxy-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-9-yl ester","exact_mass":407.231,"inchikey":"DFGYGTWTXGTQIC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":390.224731,"smiles":"CC(C)C(NC(C)=O)C(=O)OC1CCC(C)(C)C2C\\C=C/3C(=O)OCC3(O)C12C","spectrum_id":"CCMSLIB00000854622","spectrum_index":5027},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381056-01_C22H33NO6_Valine, N-acetyl-, 1,3,5,5a,6,7,8,9,9a,9b-decahydro-9b-hydroxy-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-9-yl ester","exact_mass":407.231,"inchikey":"DFGYGTWTXGTQIC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":430.216919,"smiles":"CC(C)C(NC(C)=O)C(=O)OC1CCC(C)(C)C2C\\C=C/3C(=O)OCC3(O)C12C","spectrum_id":"CCMSLIB00000854623","spectrum_index":5028},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381057-01_C20H24O7_","exact_mass":376.152,"inchikey":"YSXFDQZXVFAMSB-TWGQIWQCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.156677,"smiles":"C\\C=C(C)/C(=O)OC1C(O)C2C(CC3(C)OC3C(=O)CC1=C)OC(=O)C2=C","spectrum_id":"CCMSLIB00000854625","spectrum_index":5029},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381057-01_C20H24O7_","exact_mass":376.152,"inchikey":"YSXFDQZXVFAMSB-TWGQIWQCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.182953,"smiles":"C\\C=C(C)/C(=O)OC1C(O)C2C(CC3(C)OC3C(=O)CC1=C)OC(=O)C2=C","spectrum_id":"CCMSLIB00000854628","spectrum_index":5030},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168804-02_C26H34O10_4-[3-(Hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenyl 6-deoxy-alpha-D-mannopyranoside","exact_mass":506.215,"inchikey":"FYWCDZKQBWSMDD-MWKDSIEZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":529.204773,"smiles":"COC1=C(O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)C=CC(=C1)C3OC4=C(OC)C=C(CCCO)C=C4C3CO","spectrum_id":"CCMSLIB00000854629","spectrum_index":5031},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347586-02_C30H46O6_3,19-Dihydroxyurs-12-ene-23,28-dioic acid","exact_mass":502.329,"inchikey":"UIEGOKVPCRANSU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.337524,"smiles":"CC1CCC2(CCC3(C)\\C(=C/CC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1(C)O)C(O)=O","spectrum_id":"CCMSLIB00000854631","spectrum_index":5032},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347586-02_C30H46O6_3,19-Dihydroxyurs-12-ene-23,28-dioic acid","exact_mass":502.329,"inchikey":"UIEGOKVPCRANSU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.32724,"smiles":"CC1CCC2(CCC3(C)\\C(=C/CC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1(C)O)C(O)=O","spectrum_id":"CCMSLIB00000854634","spectrum_index":5033},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381240-02_C27H30O12_Cyclohexanecarboxylic acid, 3-[[(2E)-3-[2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-","exact_mass":546.174,"inchikey":"GQMNGGACVSAOEC-ZZXKWVIFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":547.181702,"smiles":"COC1=CC(=CC=C1O)C2OC3=C(C=C(\\C=C\\C(=O)OC4CC(O)(CC(O)C4O)C(O)=O)C=C3OC)C2CO","spectrum_id":"CCMSLIB00000854636","spectrum_index":5034},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381240-02_C27H30O12_Cyclohexanecarboxylic acid, 3-[[(2E)-3-[2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-","exact_mass":546.174,"inchikey":"GQMNGGACVSAOEC-ZZXKWVIFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":569.164246,"smiles":"COC1=CC(=CC=C1O)C2OC3=C(C=C(\\C=C\\C(=O)OC4CC(O)(CC(O)C4O)C(O)=O)C=C3OC)C2CO","spectrum_id":"CCMSLIB00000854637","spectrum_index":5035},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384713-01_C14H26O10_Propyl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside","exact_mass":354.153,"inchikey":"YBKPQAJLYSMOBM-HCDYWNEASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.143158,"smiles":"CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000854639","spectrum_index":5036},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384715-01_C34H46O19_Dimethyl (2S,3R,4S,2'S,3'R,4'R)-4,4'-[(2E)-4-oxo-2-butene-1,3-diyl]bis[2-(beta-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate]","exact_mass":758.263,"inchikey":"MWLKXILGJPSPKZ-YAKFNBHDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":759.268188,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1C\\C=C(C=O)/[C@H]\\3[C@@H](C=C)[C@@H](O\\C=C3C(=O)OC)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000854642","spectrum_index":5037},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384715-01_C34H46O19_Dimethyl (2S,3R,4S,2'S,3'R,4'R)-4,4'-[(2E)-4-oxo-2-butene-1,3-diyl]bis[2-(beta-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate]","exact_mass":758.263,"inchikey":"MWLKXILGJPSPKZ-YAKFNBHDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":776.294006,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1C\\C=C(C=O)/[C@H]\\3[C@@H](C=C)[C@@H](O\\C=C3C(=O)OC)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000854643","spectrum_index":5038},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384715-01_C34H46O19_Dimethyl (2S,3R,4S,2'S,3'R,4'R)-4,4'-[(2E)-4-oxo-2-butene-1,3-diyl]bis[2-(beta-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate]","exact_mass":758.263,"inchikey":"MWLKXILGJPSPKZ-YAKFNBHDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":781.249573,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1C\\C=C(C=O)/[C@H]\\3[C@@H](C=C)[C@@H](O\\C=C3C(=O)OC)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000854646","spectrum_index":5039},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384718-01_C17H18O9_2-Propenoic acid, 3-[4-(beta-D-glucopyranosyloxy)-5-benzofuranyl]-, (2E)-","exact_mass":366.095,"inchikey":"CAMYXILYLXYDFE-PJDHSCROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":384.13031,"smiles":"OC[C@H]1O[C@@H](OC2=C3C=COC3=CC=C2\\C=C\\C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000854647","spectrum_index":5040},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384718-01_C17H18O9_2-Propenoic acid, 3-[4-(beta-D-glucopyranosyloxy)-5-benzofuranyl]-, (2E)-","exact_mass":366.095,"inchikey":"CAMYXILYLXYDFE-PJDHSCROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.085571,"smiles":"OC[C@H]1O[C@@H](OC2=C3C=COC3=CC=C2\\C=C\\C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000854650","spectrum_index":5041},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384720-01_C15H20O3_(3aR,4aR,8aR,9aR)-4a-Hydroxy-8a-methyl-3,5-bis(methylene)decahydronaphtho[2,3-b]furan-2(3H)-one","exact_mass":248.141,"inchikey":"LIDPBIULZNRIJE-QHSBEEBCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.138962,"smiles":"C[C@]12CCCC(=C)[C@]1(O)C[C@H]3[C@@H](C2)OC(=O)C3=C","spectrum_id":"CCMSLIB00000854652","spectrum_index":5042},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384724-01_C27H32O16_beta-D-Glucopyranoside, 4-carboxy-2-methoxyphenyl 2-O-[(2S,3R,4S)-tetrahydro-3,4-dihydroxy-4-[[(4-hydroxy-3-methoxybenzoyl)oxy]methyl]-2-furanyl]-","exact_mass":612.169,"inchikey":"VDNBKSIMLSGEHD-PFZBONPLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.165466,"smiles":"COC1=C(O)C=CC(=C1)C(=O)OC[C@@]2(O)CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3OC4=C(OC)C=C(C=C4)C(O)=O)[C@@H]2O","spectrum_id":"CCMSLIB00000854653","spectrum_index":5043},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384724-01_C27H32O16_beta-D-Glucopyranoside, 4-carboxy-2-methoxyphenyl 2-O-[(2S,3R,4S)-tetrahydro-3,4-dihydroxy-4-[[(4-hydroxy-3-methoxybenzoyl)oxy]methyl]-2-furanyl]-","exact_mass":612.169,"inchikey":"VDNBKSIMLSGEHD-PFZBONPLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":630.202759,"smiles":"COC1=C(O)C=CC(=C1)C(=O)OC[C@@]2(O)CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3OC4=C(OC)C=C(C=C4)C(O)=O)[C@@H]2O","spectrum_id":"CCMSLIB00000854655","spectrum_index":5044},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384724-01_C27H32O16_beta-D-Glucopyranoside, 4-carboxy-2-methoxyphenyl 2-O-[(2S,3R,4S)-tetrahydro-3,4-dihydroxy-4-[[(4-hydroxy-3-methoxybenzoyl)oxy]methyl]-2-furanyl]-","exact_mass":612.169,"inchikey":"VDNBKSIMLSGEHD-PFZBONPLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":635.157898,"smiles":"COC1=C(O)C=CC(=C1)C(=O)OC[C@@]2(O)CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3OC4=C(OC)C=C(C=C4)C(O)=O)[C@@H]2O","spectrum_id":"CCMSLIB00000854658","spectrum_index":5045},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168805-03_C20H28O3_(1R,2R,4aR,8aS)-1-[2-(3-Furyl)ethyl]-2,4a,5-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenecarboxylic acid","exact_mass":316.204,"inchikey":"TUMLDZXQVLUMQL-DJABAAGCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.213074,"smiles":"C[C@@H]1CC[C@]\\2(C)[C@H](CC\\C=C2C)[C@]1(CCC3=COC=C3)C(O)=O","spectrum_id":"CCMSLIB00000854660","spectrum_index":5046},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168841-03_C20H26O4_2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, (2E)-","exact_mass":330.183,"inchikey":"PKAIECBWQZFYRP-SOFGYWHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.192413,"smiles":"COC1=C(O)C=CC(=C1)\\C=C\\C(=O)OC2CC3CCC2(C)C3(C)C","spectrum_id":"CCMSLIB00000854661","spectrum_index":5047},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169078-03_C20H28O7_2-Butenoic acid, 4-hydroxy-2-methyl-, (1R,5S,6S)-3-(hydroxymethyl)-6-(1-methylethyl)-5-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2-oxo-3-cyclohexen-1-yl ester, (2E)-","exact_mass":380.184,"inchikey":"CARMWCSYOJNGRD-FFPTXMBDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.192841,"smiles":"C\\C=C(\\C)C(=O)O[C@H]1\\C=C(\\CO)C(=O)[C@H](OC(=O)\\C(C)=C\\CO)[C@H]1C(C)C","spectrum_id":"CCMSLIB00000854663","spectrum_index":5048},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169781-02_C14H16O4_2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-, (5S,6S)-","exact_mass":248.105,"inchikey":"VJCNEDVMYQCMBK-FZMZJTMJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.11351,"smiles":"CO\\C1=C\\C(=O)O[C@@H](CCC2=CC=CC=C2)[C@@H]1O","spectrum_id":"CCMSLIB00000854665","spectrum_index":5049},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169781-02_C14H16O4_2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-, (5S,6S)-","exact_mass":248.105,"inchikey":"VJCNEDVMYQCMBK-FZMZJTMJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.095642,"smiles":"CO\\C1=C\\C(=O)O[C@@H](CCC2=CC=CC=C2)[C@@H]1O","spectrum_id":"CCMSLIB00000854668","spectrum_index":5050},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384503-01_C22H24O8_(2E)-2,11-Dimethyl-7-methylene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradeca-1(13),2-dien-9-yl (2E)-4-acetoxy-2-methyl-2-butenoate","exact_mass":416.147,"inchikey":"NTACYUQODXBPIK-DECBNBDHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.156677,"smiles":"CC(=O)OC\\C=C(/C)C(=O)OC1CC2(C)OC(=C\\C2=O)\\C(=C\\C3OC(=O)C(=C)C13)C","spectrum_id":"CCMSLIB00000854669","spectrum_index":5051},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384503-01_C22H24O8_(2E)-2,11-Dimethyl-7-methylene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradeca-1(13),2-dien-9-yl (2E)-4-acetoxy-2-methyl-2-butenoate","exact_mass":416.147,"inchikey":"NTACYUQODXBPIK-DECBNBDHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.181976,"smiles":"CC(=O)OC\\C=C(/C)C(=O)OC1CC2(C)OC(=C\\C2=O)\\C(=C\\C3OC(=O)C(=C)C13)C","spectrum_id":"CCMSLIB00000854671","spectrum_index":5052},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384504-01_C17H22O5_Cyclodeca[b]furan-2(3H)-one, 10-[(acetyloxy)methyl]-3a,4,5,8,9,11a-hexahydro-6-(hydroxymethyl)-3-methylene-, (3aS,6Z,10Z,11aR)-","exact_mass":306.147,"inchikey":"XGODCDTVQAHYAH-QBSPZKBFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":324.182373,"smiles":"CC(=O)OC\\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CC/C(=C/CC1)CO","spectrum_id":"CCMSLIB00000854673","spectrum_index":5053},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384505-01_C25H36O5_2-Butenoic acid, 2-methyl-, (4R,6R)-3,3,7,9-tetramethyl-6-(3-methyl-1-oxobutoxy)-11-oxotricyclo[5.4.0.0~2,8~]undec-9-en-4-yl ester, (2Z)-","exact_mass":416.256,"inchikey":"SCDIIKOGQOUENK-FGRHQERASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.266083,"smiles":"C\\C=C(C)/C(=O)O[C@@H]1C[C@@H](OC(=O)CC(C)C)C2(C)C\\3C(C2C(=O)\\C=C3C)C1(C)C","spectrum_id":"CCMSLIB00000854675","spectrum_index":5054},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384505-01_C25H36O5_2-Butenoic acid, 2-methyl-, (4R,6R)-3,3,7,9-tetramethyl-6-(3-methyl-1-oxobutoxy)-11-oxotricyclo[5.4.0.0~2,8~]undec-9-en-4-yl ester, (2Z)-","exact_mass":416.256,"inchikey":"SCDIIKOGQOUENK-FGRHQERASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.248016,"smiles":"C\\C=C(C)/C(=O)O[C@@H]1C[C@@H](OC(=O)CC(C)C)C2(C)C\\3C(C2C(=O)\\C=C3C)C1(C)C","spectrum_id":"CCMSLIB00000854678","spectrum_index":5055},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179759-02_C19H14N4O2_Quinazolino[3',2':1,6]pyrido[2,3-b][1,4]benzodiazepine-9,16-dione, 6,7,7a,8-tetrahydro-","exact_mass":330.112,"inchikey":"QSYOIPMDADNFRO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.121155,"smiles":"O=C1NC\\2CC\\C3=N\\C4=C(C=CC=C4)C(=O)N3C2=N/C5=C1C=CC=C5","spectrum_id":"CCMSLIB00000854680","spectrum_index":5056},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386074-01_C18H19NO4_","exact_mass":313.131,"inchikey":"CXTFOCGXZKYKEM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.140594,"smiles":"COC1=C(CC(N(C)C(=O)C2=CC=CC=C2)C(O)=O)C=CC=C1","spectrum_id":"CCMSLIB00000854682","spectrum_index":5057},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386076-01_C19H33N3O5_2,8-Diisobutyl-5-methyl-1-oxa-4,7,10-triazacyclotetradecane-3,6,9,14-tetrone","exact_mass":383.242,"inchikey":"QWWUZAJFCIZIIQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":384.251648,"smiles":"CC(C)CC1NC(=O)C(C)NC(=O)C(CC(C)C)OC(=O)CCCNC1=O","spectrum_id":"CCMSLIB00000854684","spectrum_index":5058},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386076-01_C19H33N3O5_2,8-Diisobutyl-5-methyl-1-oxa-4,7,10-triazacyclotetradecane-3,6,9,14-tetrone","exact_mass":383.242,"inchikey":"QWWUZAJFCIZIIQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.233673,"smiles":"CC(C)CC1NC(=O)C(C)NC(=O)C(CC(C)C)OC(=O)CCCNC1=O","spectrum_id":"CCMSLIB00000854685","spectrum_index":5059},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386077-01_C35H61N3O9_(3S,6R,9S,12R,15S,18R)-3-[(2R)-2-Butanyl]-6-isobutyl-9,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","exact_mass":667.441,"inchikey":"SWNBFQKIMCBNRL-ZHVIOGNLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":668.449768,"smiles":"CC[C@@H](C)[C@@H]1N(C)C(=O)[C@@H](CC(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000854688","spectrum_index":5060},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386077-01_C35H61N3O9_(3S,6R,9S,12R,15S,18R)-3-[(2R)-2-Butanyl]-6-isobutyl-9,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","exact_mass":667.441,"inchikey":"SWNBFQKIMCBNRL-ZHVIOGNLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":690.431335,"smiles":"CC[C@@H](C)[C@@H]1N(C)C(=O)[C@@H](CC(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000854690","spectrum_index":5061},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386078-01_C36H63N3O9_(3S,6R,9S,12R,15S,18R)-3,9,15-Tri[(2S)-2-butanyl]-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","exact_mass":681.456,"inchikey":"TWHBYJSVDCWICV-VOICHFRVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":682.465332,"smiles":"CC[C@@H](C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](OC(=O)[C@H]([C@H](C)CC)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000854691","spectrum_index":5062},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386078-01_C36H63N3O9_(3S,6R,9S,12R,15S,18R)-3,9,15-Tri[(2S)-2-butanyl]-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","exact_mass":681.456,"inchikey":"TWHBYJSVDCWICV-VOICHFRVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":704.447021,"smiles":"CC[C@@H](C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](OC(=O)[C@H]([C@H](C)CC)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000854694","spectrum_index":5063},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Enniantin - NCGC00386078-01_C36H63N3O9_(3S,6R,9S,12R,15S,18R)-3,9,15-Tri[(2S)-2-butanyl]-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone - Pretty common in Fusarium","exact_mass":681.456,"inchikey":"TWHBYJSVDCWICV-VOICHFRVSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":720.420532,"smiles":"CC[C@@H](C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](OC(=O)[C@H]([C@H](C)CC)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000854696","spectrum_index":5064},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386081-01_C27H37NO6_","exact_mass":471.262,"inchikey":"XLXWUZYXNWCPMH-HPMFETECSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":472.271484,"smiles":"CO[C@@H]\\1[C@@H](OC(=O)\\C=C\\C=C\\C=C\\C)[C@H]2C(C)(C)CCC[C@]2(C)\\C3=C1CN(C(C)C(O)=O)C3=O","spectrum_id":"CCMSLIB00000854698","spectrum_index":5065},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386081-01_C27H37NO6_","exact_mass":471.262,"inchikey":"XLXWUZYXNWCPMH-HPMFETECSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":494.253693,"smiles":"CO[C@@H]\\1[C@@H](OC(=O)\\C=C\\C=C\\C=C\\C)[C@H]2C(C)(C)CCC[C@]2(C)\\C3=C1CN(C(C)C(O)=O)C3=O","spectrum_id":"CCMSLIB00000854700","spectrum_index":5066},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386082-01_C20H28N2O5_","exact_mass":376.2,"inchikey":"QXLPHJAUIZITEO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.209503,"smiles":"CC(C)C(N(C)C(=O)C(O)CC1=CC=CC=C1)C(=O)N2CCCC2C(O)=O","spectrum_id":"CCMSLIB00000854701","spectrum_index":5067},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386082-01_C20H28N2O5_","exact_mass":376.2,"inchikey":"QXLPHJAUIZITEO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.235748,"smiles":"CC(C)C(N(C)C(=O)C(O)CC1=CC=CC=C1)C(=O)N2CCCC2C(O)=O","spectrum_id":"CCMSLIB00000854703","spectrum_index":5068},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386084-01_C23H32N2O3_","exact_mass":384.241,"inchikey":"YFEDMPPDOYSQSZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.250854,"smiles":"CC1CCC2C(C)(C)C(O)CCC2(C)C13CC4=C(O3)C5=C(C=C4O)C(=N)NC5","spectrum_id":"CCMSLIB00000854706","spectrum_index":5069},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168928-02_C21H30O2_5-[(8Z,11Z)-8,11,14-Pentadecatrien-1-yl]-1,3-benzenediol","exact_mass":314.225,"inchikey":"OOXBEOHCOCMKAC-UTOQUPLUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.229645,"smiles":"OC1=CC(=CC(=C1)O)CCCCCCC\\C=C/C/C=C\\CC=C","spectrum_id":"CCMSLIB00000854707","spectrum_index":5070},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380853-01_C24H30O8_Dispiro[furan-3(2H),1'(5'H)-naphthalene-5',2''-oxiran]-4'(6'H)-one, 2-(acetyloxy)-4'a-[(acetyloxy)methyl]-5-(3-furanyl)octahydro-2'-methyl-, (2S,2'R,3R,4a'S,5S,5'R,8a'R)-","exact_mass":446.194,"inchikey":"GXQZOQHVBGNFHI-CZQCRYLRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.197937,"smiles":"C[C@@H]1CC(=O)[C@]2(COC(C)=O)[C@H](CCC[C@]23CO3)[C@@]14C[C@H](O[C@H]4OC(C)=O)C5=COC=C5","spectrum_id":"CCMSLIB00000854709","spectrum_index":5071},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380853-01_C24H30O8_Dispiro[furan-3(2H),1'(5'H)-naphthalene-5',2''-oxiran]-4'(6'H)-one, 2-(acetyloxy)-4'a-[(acetyloxy)methyl]-5-(3-furanyl)octahydro-2'-methyl-, (2S,2'R,3R,4a'S,5S,5'R,8a'R)-","exact_mass":446.194,"inchikey":"GXQZOQHVBGNFHI-CZQCRYLRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":464.223877,"smiles":"C[C@@H]1CC(=O)[C@]2(COC(C)=O)[C@H](CCC[C@]23CO3)[C@@]14C[C@H](O[C@H]4OC(C)=O)C5=COC=C5","spectrum_id":"CCMSLIB00000854711","spectrum_index":5072},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380856-01_C13H16O5_8-Methyl-3,4,6,10b-tetrahydropyrano[3,2-c]isochromene-4a,7,9(2H)-triol","exact_mass":252.1,"inchikey":"IVGBZDPNMAOBQK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.094666,"smiles":"CC1=C(O)C=C2C3OCCCC3(O)OCC2=C1O","spectrum_id":"CCMSLIB00000854714","spectrum_index":5073},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380856-01_C13H16O5_8-Methyl-3,4,6,10b-tetrahydropyrano[3,2-c]isochromene-4a,7,9(2H)-triol","exact_mass":252.1,"inchikey":"IVGBZDPNMAOBQK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.087158,"smiles":"CC1=C(O)C=C2C3OCCCC3(O)OCC2=C1O","spectrum_id":"CCMSLIB00000854715","spectrum_index":5074},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380859-01_C20H26O5_(5xi,6alpha,7beta)-6,11,12-Trihydroxy-7,20-epoxyabieta-8,11,13-trien-20-one","exact_mass":346.178,"inchikey":"UXVPWKDITRJELA-YLPFRIKTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.182709,"smiles":"CC(C)C1=CC2=C(C(=C1O)O)[C@@]34CCCC(C)(C)C3[C@@H](O)[C@@H]2OC4=O","spectrum_id":"CCMSLIB00000854718","spectrum_index":5075},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380860-01_C22H32O4_15-Acetoxykaur-16-en-18-oic acid","exact_mass":360.23,"inchikey":"AQBQBBLJTDSVLC-NXJFSOFMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.261139,"smiles":"CC(=O)O[C@H]1C(=C)[C@H]2CCC3[C@]4(C)CCC[C@](C)(C4CC[C@]13C2)C(O)=O","spectrum_id":"CCMSLIB00000854719","spectrum_index":5076},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pyrenocin A - NCGC00169582-02_C11H12O4_1H-2-Benzopyran-1-one, 3,4-dihydro-6-hydroxy-8-methoxy-3-methyl-","exact_mass":208.074,"inchikey":"WGUHOBJSLARYHD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":209.080795,"smiles":"COC1=C2C(=O)OC(C)CC2=CC(=C1)O","spectrum_id":"CCMSLIB00000854722","spectrum_index":5077},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180760-02_C15H22O5_1H-3,9a-Methanocyclopent[c]oxocin-4-carboxylic acid, octahydro-4-hydroxy-7-(2-hydroxy-1-methylethylidene)-, (7E)-","exact_mass":282.147,"inchikey":"QYINOGPWFQBOJX-MDZDMXLPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.154724,"smiles":"C\\C(CO)=C1\\CCC23COC(C2)C(O)(CCC13)C(O)=O","spectrum_id":"CCMSLIB00000854723","spectrum_index":5078},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180760-02_C15H22O5_1H-3,9a-Methanocyclopent[c]oxocin-4-carboxylic acid, octahydro-4-hydroxy-7-(2-hydroxy-1-methylethylidene)-, (7E)-","exact_mass":282.147,"inchikey":"QYINOGPWFQBOJX-MDZDMXLPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.143982,"smiles":"C\\C(CO)=C1\\CCC23COC(C2)C(O)(CCC13)C(O)=O","spectrum_id":"CCMSLIB00000854726","spectrum_index":5079},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380315-02_C13H20O6S_2-Hydroxy-3-[(10-methyl-2,7-dioxo-5-oxecanyl)sulfanyl]propanoic acid","exact_mass":304.098,"inchikey":"OGTDCWCKOKLYSK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.106201,"smiles":"CC1CCC(=O)CC(CCC(=O)O1)SCC(O)C(O)=O","spectrum_id":"CCMSLIB00000854727","spectrum_index":5080},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380315-02_C13H20O6S_2-Hydroxy-3-[(10-methyl-2,7-dioxo-5-oxecanyl)sulfanyl]propanoic acid","exact_mass":304.098,"inchikey":"OGTDCWCKOKLYSK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.087738,"smiles":"CC1CCC(=O)CC(CCC(=O)O1)SCC(O)C(O)=O","spectrum_id":"CCMSLIB00000854729","spectrum_index":5081},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380315-02_C13H20O6S_2-Hydroxy-3-[(10-methyl-2,7-dioxo-5-oxecanyl)sulfanyl]propanoic acid","exact_mass":304.098,"inchikey":"OGTDCWCKOKLYSK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.132568,"smiles":"CC1CCC(=O)CC(CCC(=O)O1)SCC(O)C(O)=O","spectrum_id":"CCMSLIB00000854731","spectrum_index":5082},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380593-01_C18H26O6_2,4-Hexadienoic acid, (6E)-3,4,5,8,9,10-hexahydro-8,9-dihydroxy-2-oxo-10-propyl-2H-oxecin-3-yl ester, (2E,4E)-","exact_mass":338.173,"inchikey":"TXPRZPDVUZCNLB-YECGNMMBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.181091,"smiles":"CCCC1OC(=O)C(CC\\C=C\\C(O)C1O)OC(=O)/C=C/C=C/C","spectrum_id":"CCMSLIB00000854733","spectrum_index":5083},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380597-01_C28H38O10_Methyl 5-acetoxy-6,10-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxohexadecahydro-2H-naphtho[1,2-h]isochromene-2-carboxylate","exact_mass":534.247,"inchikey":"BTGVTHAIJREEMO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.253845,"smiles":"COC(=O)C1(C)OC(=O)C2C3(C)C(OC(C)=O)C(O)C4C(C)(C)C(=O)CC(O)C4(C)C3CC(=C)C2(C)C1=O","spectrum_id":"CCMSLIB00000854735","spectrum_index":5084},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380597-01_C28H38O10_Methyl 5-acetoxy-6,10-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxohexadecahydro-2H-naphtho[1,2-h]isochromene-2-carboxylate","exact_mass":534.247,"inchikey":"BTGVTHAIJREEMO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":552.280762,"smiles":"COC(=O)C1(C)OC(=O)C2C3(C)C(OC(C)=O)C(O)C4C(C)(C)C(=O)CC(O)C4(C)C3CC(=C)C2(C)C1=O","spectrum_id":"CCMSLIB00000854737","spectrum_index":5085},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380597-01_C28H38O10_Methyl 5-acetoxy-6,10-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxohexadecahydro-2H-naphtho[1,2-h]isochromene-2-carboxylate","exact_mass":534.247,"inchikey":"BTGVTHAIJREEMO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":557.235535,"smiles":"COC(=O)C1(C)OC(=O)C2C3(C)C(OC(C)=O)C(O)C4C(C)(C)C(=O)CC(O)C4(C)C3CC(=C)C2(C)C1=O","spectrum_id":"CCMSLIB00000854739","spectrum_index":5086},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380598-01_C30H49N5O9_3-(3-sec-Butyl-6-isopropyl-5,8,9-trimethyl-1,4,7,10,14,17-hexaoxoicosahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecin-16-yl)-2-methylpropanoic acid","exact_mass":623.353,"inchikey":"WTVZRLMVNARECX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":646.341614,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C(O)=O)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000854741","spectrum_index":5087},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380599-01_C22H24O8_Benzoic acid, 3,6-dihydroxy-4-methoxy-2-methyl-, (6R,7R)-5,6,7,8-tetrahydro-7-hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-1H-2-benzopyran-6-yl ester","exact_mass":416.147,"inchikey":"XLOJLWAYOTYURW-NZRBFCARSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.155151,"smiles":"COC1=C(O)C(=C(C(=C1)O)C(=O)O[C@@H]2CC/3=C(COC(=C3)/C=C/C)\\C(=O)[C@]2(C)O)C","spectrum_id":"CCMSLIB00000854743","spectrum_index":5088},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380599-01_C22H24O8_Benzoic acid, 3,6-dihydroxy-4-methoxy-2-methyl-, (6R,7R)-5,6,7,8-tetrahydro-7-hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-1H-2-benzopyran-6-yl ester","exact_mass":416.147,"inchikey":"XLOJLWAYOTYURW-NZRBFCARSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.137024,"smiles":"COC1=C(O)C(=C(C(=C1)O)C(=O)O[C@@H]2CC/3=C(COC(=C3)/C=C/C)\\C(=O)[C@]2(C)O)C","spectrum_id":"CCMSLIB00000854745","spectrum_index":5089},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380607-01_C25H39NO4_(7E)-12-Hydroxy-3-isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","exact_mass":417.288,"inchikey":"BEHHXVQQPLISNN-RVDMUPIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.294281,"smiles":"COC1CC(=O)C23C(/C=C(C)/CCCC1O)\\C=C(C)/C(C)C2C(CC(C)C)NC3=O","spectrum_id":"CCMSLIB00000854747","spectrum_index":5090},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380607-01_C25H39NO4_(7E)-12-Hydroxy-3-isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","exact_mass":417.288,"inchikey":"BEHHXVQQPLISNN-RVDMUPIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.285522,"smiles":"COC1CC(=O)C23C(/C=C(C)/CCCC1O)\\C=C(C)/C(C)C2C(CC(C)C)NC3=O","spectrum_id":"CCMSLIB00000854749","spectrum_index":5091},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380607-01_C25H39NO4_(7E)-12-Hydroxy-3-isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","exact_mass":417.288,"inchikey":"BEHHXVQQPLISNN-RVDMUPIBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":440.277344,"smiles":"COC1CC(=O)C23C(/C=C(C)/CCCC1O)\\C=C(C)/C(C)C2C(CC(C)C)NC3=O","spectrum_id":"CCMSLIB00000854751","spectrum_index":5092},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168992-02_C14H17NO6_(beta-D-Glucopyranosyloxy)(phenyl)acetonitrile","exact_mass":295.106,"inchikey":"ZKSZEJFBGODIJW-MXNNCRBYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.142395,"smiles":"OC[C@H]1O[C@@H](OC(C#N)C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000854753","spectrum_index":5093},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168992-02_C14H17NO6_(beta-D-Glucopyranosyloxy)(phenyl)acetonitrile","exact_mass":295.106,"inchikey":"ZKSZEJFBGODIJW-MXNNCRBYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.097473,"smiles":"OC[C@H]1O[C@@H](OC(C#N)C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000854755","spectrum_index":5094},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179900-02_C40H62O15_Ergosta-5,24-dien-26-one, 22,26-epoxy-3-[(6-O-hexopyranosylhexopyranosyl)oxy]-1,28-dihydroxy-","exact_mass":782.409,"inchikey":"TZLCZBLLJUXBSB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":783.418762,"smiles":"CC(C1C\\C(=C(\\C)C(=O)O1)CO)C2CCC3C4C\\C=C5\\CC(CC(O)C5(C)C4CCC23C)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000854757","spectrum_index":5095},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179900-02_C40H62O15_Ergosta-5,24-dien-26-one, 22,26-epoxy-3-[(6-O-hexopyranosylhexopyranosyl)oxy]-1,28-dihydroxy-","exact_mass":782.409,"inchikey":"TZLCZBLLJUXBSB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":800.445129,"smiles":"CC(C1C\\C(=C(\\C)C(=O)O1)CO)C2CCC3C4C\\C=C5\\CC(CC(O)C5(C)C4CCC23C)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000854759","spectrum_index":5096},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179900-02_C40H62O15_Ergosta-5,24-dien-26-one, 22,26-epoxy-3-[(6-O-hexopyranosylhexopyranosyl)oxy]-1,28-dihydroxy-","exact_mass":782.409,"inchikey":"TZLCZBLLJUXBSB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":805.400696,"smiles":"CC(C1C\\C(=C(\\C)C(=O)O1)CO)C2CCC3C4C\\C=C5\\CC(CC(O)C5(C)C4CCC23C)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O","spectrum_id":"CCMSLIB00000854761","spectrum_index":5097},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380633-02_C14H16N2O2_Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-","exact_mass":244.121,"inchikey":"QZBUWPVZSXDWSB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.130524,"smiles":"O=C1NC(CC2=CC=CC=C2)C(=O)N3CCCC13","spectrum_id":"CCMSLIB00000854763","spectrum_index":5098},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381303-01_C61H98O28_(3beta,5xi,9xi,16alpha,18xi)-16-Acetoxy-13,28-epoxyoleanan-3-yl 6-deoxy-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-alpha-L-mannopyranosyl-(1->2)-D-glycero-hexopyranosyl-(1->3)-[hexopyranosyl-(1->2)]-beta-D-glucopyranosiduronic acid","exact_mass":1278.62,"inchikey":"BOUVSSBZTIYDJB-DNONUTMCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1279.628418,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2C(O)C(O)C(CO)OC2O[C@H]3[C@H](O)[C@H](O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@]78OC[C@@]9(CCC(C)(C)CC79)[C@@H](C[C@@]68C)OC(C)=O)C4(C)C)[C@@H]3OC%10OC(CO)C(O)C(O)C%10O)C(O)=O)[C@H](O[C@@H]%11OC[C@](O)(CO)[C@H]%11O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000854765","spectrum_index":5099},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381304-01_C26H32O13_Cyclopenta[c]pyran-4-carboxylic acid, 6-(acetyloxy)-5-(benzoyloxy)-1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, methyl ester","exact_mass":552.184,"inchikey":"DHCJHCCWOGTAHR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.195068,"smiles":"COC(=O)C/1=C/OC(OC2OC(CO)C(O)C(O)C2O)C3C(C)C(OC(C)=O)C(OC(=O)C4=CC=CC=C4)C13","spectrum_id":"CCMSLIB00000854767","spectrum_index":5100},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381305-01_C24H32O12_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6-dihydroxy-7-methyl-, 2-(4-hydroxyphenyl)ethyl ester","exact_mass":512.189,"inchikey":"JUGKCFLQZJYLHO-AQQJVQHUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":513.199768,"smiles":"CC1C(O)C(O)C\\2C1C(O\\C=C2C(=O)OCCC3=CC=C(O)C=C3)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000854769","spectrum_index":5101},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381308-01_C47H76O17_(3beta,5xi,9xi,18xi,22beta)-22,25-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid","exact_mass":912.508,"inchikey":"NOKUIKNJHIHLGT-LMQYYACCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":913.516357,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(CO)C(CC[C@]6(C)C5C\\C=C/7C8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@@]67C)C4(C)C)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000854771","spectrum_index":5102},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381308-01_C47H76O17_(3beta,5xi,9xi,18xi,22beta)-22,25-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid","exact_mass":912.508,"inchikey":"NOKUIKNJHIHLGT-LMQYYACCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":930.54303,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(CO)C(CC[C@]6(C)C5C\\C=C/7C8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@@]67C)C4(C)C)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000854773","spectrum_index":5103},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381308-01_C47H76O17_(3beta,5xi,9xi,18xi,22beta)-22,25-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid","exact_mass":912.508,"inchikey":"NOKUIKNJHIHLGT-LMQYYACCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":935.498535,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(CO)C(CC[C@]6(C)C5C\\C=C/7C8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@@]67C)C4(C)C)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000854775","spectrum_index":5104},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169629-02_C27H28N2O4_Benzenepropanamide, N-[2-(acetyloxy)-1-(phenylmethyl)ethyl]-alpha-(benzoylamino)-","exact_mass":444.205,"inchikey":"VZPAURMDJZOGHU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.21347,"smiles":"CC(=O)OCC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000854777","spectrum_index":5105},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169629-02_C27H28N2O4_Benzenepropanamide, N-[2-(acetyloxy)-1-(phenylmethyl)ethyl]-alpha-(benzoylamino)-","exact_mass":444.205,"inchikey":"VZPAURMDJZOGHU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":467.195343,"smiles":"CC(=O)OCC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000854779","spectrum_index":5106},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384794-01_C57H92O28_(3beta,22S,25S)-26-(beta-D-Glucopyranosyloxy)-22,25-epoxyfurost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranoside","exact_mass":1224.58,"inchikey":"KSQDOQZKXFUZMV-XGXFQOKCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1225.573975,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3CC[C@]4(C)C5CC[C@@]6(C)C(C[C@@H]7OC8(CC[C@@](C)(CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)O8)[C@@H](C)[C@H]67)[C@@H]5C/C=C4/C3)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@H]%10O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000854781","spectrum_index":5107},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384795-01_C52H84O22_Olean-12-en-28-oic acid, 3-[[O-beta-D-glucopyranosyl-(1->2)-O-[O-beta-D-xylopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)]-beta-D-glucopyranosyl]oxy]-16-hydroxy-, (3beta,5xi,9xi,16alpha)-","exact_mass":1060.55,"inchikey":"AZFFBGWLLZUTDW-CTASIPILSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1061.544922,"smiles":"CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000854783","spectrum_index":5108},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384795-01_C52H84O22_Olean-12-en-28-oic acid, 3-[[O-beta-D-glucopyranosyl-(1->2)-O-[O-beta-D-xylopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)]-beta-D-glucopyranosyl]oxy]-16-hydroxy-, (3beta,5xi,9xi,16alpha)-","exact_mass":1060.55,"inchikey":"AZFFBGWLLZUTDW-CTASIPILSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1078.572021,"smiles":"CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000854785","spectrum_index":5109},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384795-01_C52H84O22_Olean-12-en-28-oic acid, 3-[[O-beta-D-glucopyranosyl-(1->2)-O-[O-beta-D-xylopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)]-beta-D-glucopyranosyl]oxy]-16-hydroxy-, (3beta,5xi,9xi,16alpha)-","exact_mass":1060.55,"inchikey":"AZFFBGWLLZUTDW-CTASIPILSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1083.527222,"smiles":"CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000854787","spectrum_index":5110},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384796-01_C25H30O12_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-1-[[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-7-methyl-, (1S,4aS,7R,7aS)-","exact_mass":522.174,"inchikey":"LWORTIDRRYUBBP-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.181824,"smiles":"CC1(O)CCC\\2C1C(O\\C=C2C(O)=O)OC3OC(CO)C(O)C(O)C3OC(=O)\\C=C\\C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000854789","spectrum_index":5111},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384796-01_C25H30O12_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-1-[[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-7-methyl-, (1S,4aS,7R,7aS)-","exact_mass":522.174,"inchikey":"LWORTIDRRYUBBP-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.163635,"smiles":"CC1(O)CCC\\2C1C(O\\C=C2C(O)=O)OC3OC(CO)C(O)C(O)C3OC(=O)\\C=C\\C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000854791","spectrum_index":5112},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384796-01_C25H30O12_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-1-[[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-7-methyl-, (1S,4aS,7R,7aS)-","exact_mass":522.174,"inchikey":"LWORTIDRRYUBBP-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":564.207947,"smiles":"CC1(O)CCC\\2C1C(O\\C=C2C(O)=O)OC3OC(CO)C(O)C(O)C3OC(=O)\\C=C\\C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000854793","spectrum_index":5113},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384797-01_C53H84O25_beta-D-Glucopyranose, O-beta-D-glucopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->6)]-1-O-[(3beta,5xi,9xi,16alpha)-16,23-dihydroxy-23,28-dioxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-","exact_mass":1120.53,"inchikey":"GAEHQHKGPCGEPQ-MNCNJHOVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1121.529053,"smiles":"CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]7O","spectrum_id":"CCMSLIB00000854795","spectrum_index":5114},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384797-01_C53H84O25_beta-D-Glucopyranose, O-beta-D-glucopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->6)]-1-O-[(3beta,5xi,9xi,16alpha)-16,23-dihydroxy-23,28-dioxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-","exact_mass":1120.53,"inchikey":"GAEHQHKGPCGEPQ-MNCNJHOVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1143.512695,"smiles":"CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]7O","spectrum_id":"CCMSLIB00000854797","spectrum_index":5115},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384798-01_C59H94O29_beta-D-Galactopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->6)-[beta-D-glucopyranosyl-(1->3)]-1-O-[(3beta,5xi,9xi)-23-hydroxy-23,28-dioxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":1266.59,"inchikey":"NKURNVCWJJFIBK-HMMFFCBXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1267.582764,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]7O","spectrum_id":"CCMSLIB00000854799","spectrum_index":5116},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384799-01_C19H22O4_(2'R,3R,4a'S,5R,8a'S)-5-(3-Furyl)-2',5'-dimethyl-4',4a',8',8a'-tetrahydro-2'H-spiro[furan-3,1'-naphthalene]-4,7'(3'H,5H)-dione","exact_mass":314.152,"inchikey":"BGKIISXUCXQGJO-PITHAFQJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.160522,"smiles":"C[C@@H]1CC[C@H]\\2[C@H](CC(=O)\\C=C2C)[C@@]13CO[C@@H](C3=O)C4=COC=C4","spectrum_id":"CCMSLIB00000854801","spectrum_index":5117},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384799-01_C19H22O4_(2'R,3R,4a'S,5R,8a'S)-5-(3-Furyl)-2',5'-dimethyl-4',4a',8',8a'-tetrahydro-2'H-spiro[furan-3,1'-naphthalene]-4,7'(3'H,5H)-dione","exact_mass":314.152,"inchikey":"BGKIISXUCXQGJO-PITHAFQJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.142792,"smiles":"C[C@@H]1CC[C@H]\\2[C@H](CC(=O)\\C=C2C)[C@@]13CO[C@@H](C3=O)C4=COC=C4","spectrum_id":"CCMSLIB00000854803","spectrum_index":5118},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384800-01_C21H34O10_","exact_mass":446.215,"inchikey":"KNHGVVIGMKZOJB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":464.250427,"smiles":"CC1(C)C2C\\C=C(COC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)/C1C2","spectrum_id":"CCMSLIB00000854805","spectrum_index":5119},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384800-01_C21H34O10_","exact_mass":446.215,"inchikey":"KNHGVVIGMKZOJB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.206268,"smiles":"CC1(C)C2C\\C=C(COC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)/C1C2","spectrum_id":"CCMSLIB00000854807","spectrum_index":5120},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385419-01_C19H24O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy-, methyl ester","exact_mass":412.137,"inchikey":"AARIHENRSOEJOC-DGQOTAAJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.146759,"smiles":"COC(=O)CCC1=CC2=C(OC=C2)C(=C1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC","spectrum_id":"CCMSLIB00000854809","spectrum_index":5121},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385425-01_C21H36O11_","exact_mass":464.226,"inchikey":"MPYSZNHNOUOLSB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.236603,"smiles":"CC1(C)OC2(C)CCC1C(C2)OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O","spectrum_id":"CCMSLIB00000854811","spectrum_index":5122},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385425-01_C21H36O11_","exact_mass":464.226,"inchikey":"MPYSZNHNOUOLSB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.218323,"smiles":"CC1(C)OC2(C)CCC1C(C2)OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O","spectrum_id":"CCMSLIB00000854813","spectrum_index":5123},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385428-01_C15H22O3_","exact_mass":250.157,"inchikey":"OZFIJBRLEXJLPY-CSKARUKUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.155289,"smiles":"CC1CCC(\\C=C(/C)C(O)=O)C23OC2(C)CCC13","spectrum_id":"CCMSLIB00000854815","spectrum_index":5124},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385428-01_C15H22O3_","exact_mass":250.157,"inchikey":"OZFIJBRLEXJLPY-CSKARUKUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":268.192749,"smiles":"CC1CCC(\\C=C(/C)C(O)=O)C23OC2(C)CCC13","spectrum_id":"CCMSLIB00000854817","spectrum_index":5125},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385428-01_C15H22O3_","exact_mass":250.157,"inchikey":"OZFIJBRLEXJLPY-CSKARUKUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.148346,"smiles":"CC1CCC(\\C=C(/C)C(O)=O)C23OC2(C)CCC13","spectrum_id":"CCMSLIB00000854819","spectrum_index":5126},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169804-02_C15H18O3_(4Z,7Z)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione","exact_mass":246.126,"inchikey":"CAHQQYHQUHYOGU-JCPYGFQFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.13475,"smiles":"C\\C1=C\\CC\\C2=C/C(OC2=O)C(C)(C)\\C=C/C1=O","spectrum_id":"CCMSLIB00000854821","spectrum_index":5127},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169804-02_C15H18O3_(4Z,7Z)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione","exact_mass":246.126,"inchikey":"CAHQQYHQUHYOGU-JCPYGFQFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":264.161377,"smiles":"C\\C1=C\\CC\\C2=C/C(OC2=O)C(C)(C)\\C=C/C1=O","spectrum_id":"CCMSLIB00000854823","spectrum_index":5128},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169804-02_C15H18O3_(4Z,7Z)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione","exact_mass":246.126,"inchikey":"CAHQQYHQUHYOGU-JCPYGFQFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.117004,"smiles":"C\\C1=C\\CC\\C2=C/C(OC2=O)C(C)(C)\\C=C/C1=O","spectrum_id":"CCMSLIB00000854825","spectrum_index":5129},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381408-02_C16H24O4_4-Hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one","exact_mass":280.167,"inchikey":"DGADHBAZBHETGH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.17688,"smiles":"COC1OC(=O)C/2=C1/C3(C)CCCC(C)(C)C3CC2O","spectrum_id":"CCMSLIB00000854827","spectrum_index":5130},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381408-02_C16H24O4_4-Hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one","exact_mass":280.167,"inchikey":"DGADHBAZBHETGH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.164093,"smiles":"COC1OC(=O)C/2=C1/C3(C)CCCC(C)(C)C3CC2O","spectrum_id":"CCMSLIB00000854829","spectrum_index":5131},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381408-02_C16H24O4_4-Hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one","exact_mass":280.167,"inchikey":"DGADHBAZBHETGH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.159241,"smiles":"COC1OC(=O)C/2=C1/C3(C)CCCC(C)(C)C3CC2O","spectrum_id":"CCMSLIB00000854831","spectrum_index":5132},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385961-01_C11H11ClO4_1H-2-Benzopyran-1-one, 5-chloro-3,4-dihydro-8-hydroxy-6-methoxy-3-methyl-","exact_mass":242.035,"inchikey":"WLUQQWRUOSZKGN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":243.043411,"smiles":"COC1=CC(=C2C(=O)OC(C)CC2=C1Cl)O","spectrum_id":"CCMSLIB00000854833","spectrum_index":5133},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385962-01_C16H24O3_","exact_mass":264.173,"inchikey":"IKJZVOVTPXBUBG-QVWJMUBJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.168304,"smiles":"CC1C\\C=C\\C=C/CCCCC(O)C\\C=C\\C(=O)O1","spectrum_id":"CCMSLIB00000854835","spectrum_index":5134},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385965-01_C19H22O5_(3aR,4aR,7aR,8R,9aR)-4a,8-Dimethyl-3-methylene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl methacrylate","exact_mass":330.147,"inchikey":"USRAFFQOAADTTD-HTADZTIOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.15448,"smiles":"C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2C(OC(=O)C(C)=C)[C@@]3(C)[C@H]1\\C=C/C3=O","spectrum_id":"CCMSLIB00000854837","spectrum_index":5135},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385967-01_C15H18O4_(4aR,9aR)-6,6-Dimethyl-4-methylene-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylic acid","exact_mass":262.121,"inchikey":"VDWJABPVVAYLBS-BRIYQRAZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.129669,"smiles":"CC1(C)CC2\\C=C(/[C@@H]3COC(=O)C(=C)[C@]23C1)C(O)=O","spectrum_id":"CCMSLIB00000854839","spectrum_index":5136},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385970-01_C65H104O30_2-Hexenoic acid, (3beta,5xi,9xi,16alpha,18xi,22alpha,28R)-3-[[O-6-deoxy-2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-alpha-L-mannopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->3)-O-[beta-D-galactopyranosyl-(1->2)]-beta-D-glucopyranuronosyl]oxy]-13,28-epoxy-16,28-dihydroxyoleanan-22-yl ester, (2E)-","exact_mass":1364.66,"inchikey":"OIUZCPBHTUXVAW-JWNAJAISSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1347.651367,"smiles":"CCC/C=C/C(=O)O[C@H]1CC(C)(C)CC2[C@@]34CCC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O[C@@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]7O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)C(O)=O)C(C)(C)C6CC[C@@]5(C)[C@]3(C)C[C@@H](O)[C@@]12[C@H](O)O4","spectrum_id":"CCMSLIB00000854841","spectrum_index":5137},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385970-01_C65H104O30_2-Hexenoic acid, (3beta,5xi,9xi,16alpha,18xi,22alpha,28R)-3-[[O-6-deoxy-2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-alpha-L-mannopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->3)-O-[beta-D-galactopyranosyl-(1->2)]-beta-D-glucopyranuronosyl]oxy]-13,28-epoxy-16,28-dihydroxyoleanan-22-yl ester, (2E)-","exact_mass":1364.66,"inchikey":"OIUZCPBHTUXVAW-JWNAJAISSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1387.641724,"smiles":"CCC/C=C/C(=O)O[C@H]1CC(C)(C)CC2[C@@]34CCC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O[C@@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]7O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)C(O)=O)C(C)(C)C6CC[C@@]5(C)[C@]3(C)C[C@@H](O)[C@@]12[C@H](O)O4","spectrum_id":"CCMSLIB00000854843","spectrum_index":5138},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180043-02_C17H16N2O2_1H-1,4-Benzodiazepine-2,5-dione, 3,4-dihydro-4-methyl-3-(phenylmethyl)-","exact_mass":280.121,"inchikey":"KSQNKZMAMGACTL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.126343,"smiles":"CN1C(CC2=CC=CC=C2)C(=O)NC3=C(C=CC=C3)C1=O","spectrum_id":"CCMSLIB00000854845","spectrum_index":5139},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347724-02_C21H32O4_2-{4a-Methyl-8-methylene-4-[(3-methylpentanoyl)oxy]decahydro-2-naphthalenyl}acrylic acid","exact_mass":348.23,"inchikey":"QVSFEOQJKPOOHP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.261475,"smiles":"CCC(C)CC(=O)OC1CC(CC2C(=C)CCCC12C)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000854847","spectrum_index":5140},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381022-01_C15H22O5_2H-Cyclohepta[b]furan-7-propanoic acid, octahydro-8-hydroxy-6,8-dimethyl-3-methylene-2-oxo-, (3aS,6S,8aR)-","exact_mass":282.147,"inchikey":"BCCAHEPMXHPBGZ-BIUQQEHHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.141174,"smiles":"C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(C)(O)C1CCC(O)=O","spectrum_id":"CCMSLIB00000854849","spectrum_index":5141},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381025-01_C36H54O12_2,7-Octadienoic acid, 6-[[3,4-bis-O-[(2E)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadien-1-yl]-beta-D-glucopyranosyl]oxy]-2,6-dimethyl-, (2E)-","exact_mass":678.362,"inchikey":"BSTJXYXEZBMPBY-DKLDTKNUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":679.362061,"smiles":"CC(=C/CCC(C)(O[C@@H]1O[C@H](CO)[C@@H](OC(=O)/C(C)=C/CCC(C)(O)C=C)[C@H](OC(=O)/C(C)=C/CCC(C)(O)C=C)[C@H]1O)C=C)\\C(O)=O","spectrum_id":"CCMSLIB00000854851","spectrum_index":5142},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381025-01_C36H54O12_2,7-Octadienoic acid, 6-[[3,4-bis-O-[(2E)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadien-1-yl]-beta-D-glucopyranosyl]oxy]-2,6-dimethyl-, (2E)-","exact_mass":678.362,"inchikey":"BSTJXYXEZBMPBY-DKLDTKNUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":661.351929,"smiles":"CC(=C/CCC(C)(O[C@@H]1O[C@H](CO)[C@@H](OC(=O)/C(C)=C/CCC(C)(O)C=C)[C@H](OC(=O)/C(C)=C/CCC(C)(O)C=C)[C@H]1O)C=C)\\C(O)=O","spectrum_id":"CCMSLIB00000854853","spectrum_index":5143},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180293-02_C15H22O3_2-[(2R,4aS,7R)-7-Hydroxy-4a-methyl-8-methylenedecahydro-2-naphthalenyl]acrylic acid","exact_mass":250.157,"inchikey":"GQDFYCPPHMEHJL-AEAWKSJYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.164444,"smiles":"C[C@]12CC[C@@H](O)C(=C)C1C[C@@H](CC2)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000854855","spectrum_index":5144},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180293-02_C15H22O3_2-[(2R,4aS,7R)-7-Hydroxy-4a-methyl-8-methylenedecahydro-2-naphthalenyl]acrylic acid","exact_mass":250.157,"inchikey":"GQDFYCPPHMEHJL-AEAWKSJYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.153732,"smiles":"C[C@]12CC[C@@H](O)C(=C)C1C[C@@H](CC2)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000854857","spectrum_index":5145},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180293-02_C15H22O3_2-[(2R,4aS,7R)-7-Hydroxy-4a-methyl-8-methylenedecahydro-2-naphthalenyl]acrylic acid","exact_mass":250.157,"inchikey":"GQDFYCPPHMEHJL-AEAWKSJYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.146637,"smiles":"C[C@]12CC[C@@H](O)C(=C)C1C[C@@H](CC2)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000854859","spectrum_index":5146},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180357-02_C15H20O2_2(4aH)-Naphthalenone, 5,6,7,8-tetrahydro-6-hydroxy-4a,5-dimethyl-3-(1-methylethenyl)-, (4aR,5R,6R)-","exact_mass":232.146,"inchikey":"MMDLQPKGJNEWIM-PSOPSSQASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":215.143112,"smiles":"C[C@H]1[C@H](O)CC\\C2=C\\C(=O)\\C(=C/[C@]12C)C(C)=C","spectrum_id":"CCMSLIB00000854863","spectrum_index":5147},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180775-03_C20H30O3_18,19-Dihydroxykaur-16-en-6-one","exact_mass":318.219,"inchikey":"PKKZJBBNWQFEBZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.22699,"smiles":"CC12CCCC(CO)(CO)C1C(=O)CC34CC(CCC23)C(=C)C4","spectrum_id":"CCMSLIB00000854865","spectrum_index":5148},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180775-03_C20H30O3_18,19-Dihydroxykaur-16-en-6-one","exact_mass":318.219,"inchikey":"PKKZJBBNWQFEBZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.216736,"smiles":"CC12CCCC(CO)(CO)C1C(=O)CC34CC(CCC23)C(=C)C4","spectrum_id":"CCMSLIB00000854867","spectrum_index":5149},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380438-01_C30H36O14_","exact_mass":620.211,"inchikey":"IMVOEOLJLDDJRP-CMDGGOBGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":638.242676,"smiles":"CC1OC(OC23\\C=C/OC(OC4OC(CO)C(O)C(O)C4O)C2\\C(=C/C3=O)C)C(O)C(OC(=O)\\C=C\\C5=CC=CC=C5)C1O","spectrum_id":"CCMSLIB00000854869","spectrum_index":5150},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380449-01_C15H18O5_3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,4,6,7,8,8a-hexahydro-4,6-dihydroxy-5,8a-dimethyl-","exact_mass":278.115,"inchikey":"XWGNIHFUPLLNBR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.112427,"smiles":"CC/1=C/2C(O)C(=O)OC(C3=COC=C3)C2(C)CCC1O","spectrum_id":"CCMSLIB00000854877","spectrum_index":5151},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380449-01_C15H18O5_3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,4,6,7,8,8a-hexahydro-4,6-dihydroxy-5,8a-dimethyl-","exact_mass":278.115,"inchikey":"XWGNIHFUPLLNBR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.150085,"smiles":"CC/1=C/2C(O)C(=O)OC(C3=COC=C3)C2(C)CCC1O","spectrum_id":"CCMSLIB00000854879","spectrum_index":5152},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380451-01_C20H28O5_2-(3-Furyl)-7,8-dihydroxy-6a,7,10b-trimethyldodecahydro-4H-benzo[f]isochromen-4-one","exact_mass":348.194,"inchikey":"RBEATXBLUJTDQZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.201843,"smiles":"CC1(O)C(O)CCC2C3(C)CC(OC(=O)C3CCC12C)C4=COC=C4","spectrum_id":"CCMSLIB00000854881","spectrum_index":5153},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015878-08_C21H26N2O3_Methyl (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylate","exact_mass":354.194,"inchikey":"BLGXFZZNTVWLAY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.203949,"smiles":"COC(=O)C1C(O)CCC2CN3CCC4=C([NH]C5=C4C=CC=C5)C3CC12","spectrum_id":"CCMSLIB00000854883","spectrum_index":5154},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015878-08_C21H26N2O3_Methyl (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylate","exact_mass":354.194,"inchikey":"BLGXFZZNTVWLAY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":396.230286,"smiles":"COC(=O)C1C(O)CCC2CN3CCC4=C([NH]C5=C4C=CC=C5)C3CC12","spectrum_id":"CCMSLIB00000854885","spectrum_index":5155},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179061-05_C20H26N2O2_Ajmalan-17,21-diol","exact_mass":326.199,"inchikey":"CJDRUOGAGYHKKD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.209167,"smiles":"CCC1C(O)N2C3CC1C4C(O)C5(CC24)C3N(C)C6=C5C=CC=C6","spectrum_id":"CCMSLIB00000854887","spectrum_index":5156},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179061-05_C20H26N2O2_Ajmalan-17,21-diol","exact_mass":326.199,"inchikey":"CJDRUOGAGYHKKD-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.186157,"smiles":"CCC1C(O)N2C3CC1C4C(O)C5(CC24)C3N(C)C6=C5C=CC=C6","spectrum_id":"CCMSLIB00000854889","spectrum_index":5157},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385885-01_C15H22O4_(3aS,4S,7aR)-4-Hydroxy-5-[(2S)-5-hydroxy-2-pentanyl]-6-methyl-3-methylene-3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-one","exact_mass":266.152,"inchikey":"ASZIGQFYGXSPCO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.160645,"smiles":"CC(CCCO)C/1=C(C)/CC2OC(=O)C(=C)C2C1O","spectrum_id":"CCMSLIB00000854891","spectrum_index":5158},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385885-01_C15H22O4_(3aS,4S,7aR)-4-Hydroxy-5-[(2S)-5-hydroxy-2-pentanyl]-6-methyl-3-methylene-3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-one","exact_mass":266.152,"inchikey":"ASZIGQFYGXSPCO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.149963,"smiles":"CC(CCCO)C/1=C(C)/CC2OC(=O)C(=C)C2C1O","spectrum_id":"CCMSLIB00000854893","spectrum_index":5159},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385885-01_C15H22O4_(3aS,4S,7aR)-4-Hydroxy-5-[(2S)-5-hydroxy-2-pentanyl]-6-methyl-3-methylene-3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-one","exact_mass":266.152,"inchikey":"ASZIGQFYGXSPCO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.142944,"smiles":"CC(CCCO)C/1=C(C)/CC2OC(=O)C(=C)C2C1O","spectrum_id":"CCMSLIB00000854895","spectrum_index":5160},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385887-01_C15H18O5_(3S,3aR,4S,9aS,9bR)-4-Hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione","exact_mass":278.115,"inchikey":"ZHZZKRDEPZMPLJ-ZJWJCFAPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.124695,"smiles":"C[C@@H]1[C@@H]2[C@@H](O)C\\C(=C3/[C@@H]([C@H]2OC1=O)\\C(=C/C3=O)CO)C","spectrum_id":"CCMSLIB00000854897","spectrum_index":5161},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385998-01_C17H26O12_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6,7-trihydroxy-7-methyl-, methyl ester, (1S,4aS,5S,6S,7R,7aS)-","exact_mass":422.142,"inchikey":"HHDWDLBSGSYIQQ-GNDDPXJISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.151917,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@H](O)[C@H](O)[C@]3(C)O","spectrum_id":"CCMSLIB00000854899","spectrum_index":5162},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385998-01_C17H26O12_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6,7-trihydroxy-7-methyl-, methyl ester, (1S,4aS,5S,6S,7R,7aS)-","exact_mass":422.142,"inchikey":"HHDWDLBSGSYIQQ-GNDDPXJISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.134186,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@H](O)[C@H](O)[C@]3(C)O","spectrum_id":"CCMSLIB00000854901","spectrum_index":5163},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385999-01_C29H44O10_Card-20(22)-enolide, 3-(beta-D-glucopyranosyloxy)-5,14-dihydroxy-, (3alpha,5beta,8xi,9xi)-","exact_mass":552.293,"inchikey":"FECZMYDDHKVQIA-MHLHJPRMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.302979,"smiles":"C[C@]12CC[C@H](C[C@@]1(O)CCC3C2CC[C@]4(C)[C@H](CC[C@]34O)\\C5=C\\C(=O)OC5)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000854903","spectrum_index":5164},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169593-02_C14H20O6_2-Phenylethyl beta-D-glucopyranoside","exact_mass":284.126,"inchikey":"MLRIJUWUQTVDQE-RKQHYHRCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.133606,"smiles":"OC[C@H]1O[C@@H](OCCC2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000854905","spectrum_index":5165},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169593-02_C14H20O6_2-Phenylethyl beta-D-glucopyranoside","exact_mass":284.126,"inchikey":"MLRIJUWUQTVDQE-RKQHYHRCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.160675,"smiles":"OC[C@H]1O[C@@H](OCCC2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000854907","spectrum_index":5166},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169593-02_C14H20O6_2-Phenylethyl beta-D-glucopyranoside","exact_mass":284.126,"inchikey":"MLRIJUWUQTVDQE-RKQHYHRCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.115814,"smiles":"OC[C@H]1O[C@@H](OCCC2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000854909","spectrum_index":5167},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380500-01_C18H22O8_","exact_mass":366.131,"inchikey":"UNLDGAKKIPYPKG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.139557,"smiles":"CC(=C)C1CC2=CC(=CC=C2O1)C(=O)OC3OC(CO)C(O)C(O)C3O","spectrum_id":"CCMSLIB00000854911","spectrum_index":5168},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380500-01_C18H22O8_","exact_mass":366.131,"inchikey":"UNLDGAKKIPYPKG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.123749,"smiles":"CC(=C)C1CC2=CC(=CC=C2O1)C(=O)OC3OC(CO)C(O)C(O)C3O","spectrum_id":"CCMSLIB00000854913","spectrum_index":5169},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380501-01_C16H26O9_","exact_mass":362.158,"inchikey":"IVUFRBWVXKXZMM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.148193,"smiles":"CC/1=C(\\COC2OC(CO)C(O)C(O)C2O)C(CC1)C(CO)C(O)=O","spectrum_id":"CCMSLIB00000854915","spectrum_index":5170},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380502-01_C19H28O10_beta-D-Glucopyranoside, 2-phenylethyl 6-O-beta-D-xylopyranosyl-","exact_mass":416.168,"inchikey":"ZRGXCWYRIBRSQA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.20282,"smiles":"OC1COC(OCC2OC(OCCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O","spectrum_id":"CCMSLIB00000854917","spectrum_index":5171},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380502-01_C19H28O10_beta-D-Glucopyranoside, 2-phenylethyl 6-O-beta-D-xylopyranosyl-","exact_mass":416.168,"inchikey":"ZRGXCWYRIBRSQA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.157928,"smiles":"OC1COC(OCC2OC(OCCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O","spectrum_id":"CCMSLIB00000854919","spectrum_index":5172},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380503-01_C22H24O10_2-(beta-D-Glucopyranosyloxy)benzyl (2E)-3-(3,4-dihydroxyphenyl)acrylate","exact_mass":448.137,"inchikey":"KMQUGCQVIDIVLT-CKNMYDPISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.145203,"smiles":"OC[C@H]1O[C@@H](OC2=C(COC(=O)/C=C/C3=CC=C(O)C(=C3)O)C=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000854921","spectrum_index":5173},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380503-01_C22H24O10_2-(beta-D-Glucopyranosyloxy)benzyl (2E)-3-(3,4-dihydroxyphenyl)acrylate","exact_mass":448.137,"inchikey":"KMQUGCQVIDIVLT-CKNMYDPISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.126831,"smiles":"OC[C@H]1O[C@@H](OC2=C(COC(=O)/C=C/C3=CC=C(O)C(=C3)O)C=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000854923","spectrum_index":5174},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380505-01_C23H30O12_3,4-Dihydroxy-5-[(6-O-{[4-(2-hydroxy-2-propanyl)-1-cyclohexen-1-yl]carbonyl}-beta-D-glucopyranosyl)oxy]benzoic acid","exact_mass":498.174,"inchikey":"QIYRQEHCCPTEPY-KRWUGMCISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.181488,"smiles":"CC(C)(O)C1CC\\C(=C/C1)C(=O)OC[C@H]2O[C@@H](OC3=CC(=CC(=C3O)O)C(O)=O)[C@H](O)[C@@H](O)[C@@H]2O","spectrum_id":"CCMSLIB00000854925","spectrum_index":5175},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380505-01_C23H30O12_3,4-Dihydroxy-5-[(6-O-{[4-(2-hydroxy-2-propanyl)-1-cyclohexen-1-yl]carbonyl}-beta-D-glucopyranosyl)oxy]benzoic acid","exact_mass":498.174,"inchikey":"QIYRQEHCCPTEPY-KRWUGMCISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.171692,"smiles":"CC(C)(O)C1CC\\C(=C/C1)C(=O)OC[C@H]2O[C@@H](OC3=CC(=CC(=C3O)O)C(O)=O)[C@H](O)[C@@H](O)[C@@H]2O","spectrum_id":"CCMSLIB00000854927","spectrum_index":5176},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380506-01_C21H28O10_2-Hydroxycyclohexyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside","exact_mass":440.168,"inchikey":"CSGSKMJWQQEEQK-NHCPJIJJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.176605,"smiles":"OC1CCCCC1O[C@@H]2O[C@H](COC(=O)\\C=C\\C3=CC(=C(O)C=C3)O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000854929","spectrum_index":5177},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380652-01_C25H34O7_7-Formyl-4,6'-dihydroxy-6-(hydroxymethyl)-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalen]-7'-yl acetate","exact_mass":446.23,"inchikey":"GWNPFKVCTQYFQY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.241425,"smiles":"CC1CCC2C(C)(C)C(O)C(CC2(C)C13CC4=C(O3)C(=C(CO)C=C4O)C=O)OC(C)=O","spectrum_id":"CCMSLIB00000854933","spectrum_index":5178},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380652-01_C25H34O7_7-Formyl-4,6'-dihydroxy-6-(hydroxymethyl)-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalen]-7'-yl acetate","exact_mass":446.23,"inchikey":"GWNPFKVCTQYFQY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.230621,"smiles":"CC1CCC2C(C)(C)C(O)C(CC2(C)C13CC4=C(O3)C(=C(CO)C=C4O)C=O)OC(C)=O","spectrum_id":"CCMSLIB00000854935","spectrum_index":5179},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380652-01_C25H34O7_7-Formyl-4,6'-dihydroxy-6-(hydroxymethyl)-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalen]-7'-yl acetate","exact_mass":446.23,"inchikey":"GWNPFKVCTQYFQY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.267273,"smiles":"CC1CCC2C(C)(C)C(O)C(CC2(C)C13CC4=C(O3)C(=C(CO)C=C4O)C=O)OC(C)=O","spectrum_id":"CCMSLIB00000854937","spectrum_index":5180},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380653-01_C25H33NO6_(2R,2'R,4a'S,6'S,8a'S)-4,6'-Dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3,3',4',4a',5',6,6',7,7',8,8',8a'-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7'-yl acetate","exact_mass":443.231,"inchikey":"MLWSQMMSROWDTI-WLBCPOEXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.241516,"smiles":"C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)C(C[C@]2(C)[C@@]13CC4=C(O3)C5=C(C=C4O)C(=O)NC5)OC(C)=O","spectrum_id":"CCMSLIB00000854939","spectrum_index":5181},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380657-01_C17H17ClO6_(2R,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione","exact_mass":352.071,"inchikey":"DDUHZTYCFQRHIY-CQLKUDPESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.081665,"smiles":"COC1=C(Cl)C2=C(C(=O)[C@@]\\3(O2)[C@H](C)CC(=O)\\C=C3OC)C(=C1)OC","spectrum_id":"CCMSLIB00000854941","spectrum_index":5182},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380657-01_C17H17ClO6_(2R,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione","exact_mass":352.071,"inchikey":"DDUHZTYCFQRHIY-CQLKUDPESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.063995,"smiles":"COC1=C(Cl)C2=C(C(=O)[C@@]\\3(O2)[C@H](C)CC(=O)\\C=C3OC)C(=C1)OC","spectrum_id":"CCMSLIB00000854943","spectrum_index":5183},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380660-01_C29H46O17_","exact_mass":666.273,"inchikey":"NVTNFOILVVPXHM-RIYZIHGNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":689.265259,"smiles":"COC(=O)\\C(C)=C\\CCC(C)(OC1OC(COC(=O)CC(C)(O)CC(O)=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C=C","spectrum_id":"CCMSLIB00000854945","spectrum_index":5184},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380661-01_C23H36O12_","exact_mass":504.221,"inchikey":"LVOGPECZHVNNHD-MDWZMJQESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":505.231262,"smiles":"COC(=O)\\C(C)=C\\CCC(C)(OC1OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C1O)C=C","spectrum_id":"CCMSLIB00000854947","spectrum_index":5185},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380661-01_C23H36O12_","exact_mass":504.221,"inchikey":"LVOGPECZHVNNHD-MDWZMJQESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.220734,"smiles":"COC(=O)\\C(C)=C\\CCC(C)(OC1OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C1O)C=C","spectrum_id":"CCMSLIB00000854949","spectrum_index":5186},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380661-01_C23H36O12_","exact_mass":504.221,"inchikey":"LVOGPECZHVNNHD-MDWZMJQESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.255188,"smiles":"COC(=O)\\C(C)=C\\CCC(C)(OC1OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C1O)C=C","spectrum_id":"CCMSLIB00000854951","spectrum_index":5187},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380661-01_C23H36O12_","exact_mass":504.221,"inchikey":"LVOGPECZHVNNHD-MDWZMJQESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":527.21283,"smiles":"COC(=O)\\C(C)=C\\CCC(C)(OC1OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C1O)C=C","spectrum_id":"CCMSLIB00000854953","spectrum_index":5188},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380662-01_C20H27NO11_[(6-O-Hexopyranosylhexopyranosyl)oxy](phenyl)acetonitrile","exact_mass":457.158,"inchikey":"XUCIJNAGGSZNQT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":458.168945,"smiles":"OCC1OC(OCC2OC(OC(C#N)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000854955","spectrum_index":5189},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380662-01_C20H27NO11_[(6-O-Hexopyranosylhexopyranosyl)oxy](phenyl)acetonitrile","exact_mass":457.158,"inchikey":"XUCIJNAGGSZNQT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":480.150757,"smiles":"OCC1OC(OCC2OC(OC(C#N)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000854957","spectrum_index":5190},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380939-01_C12H11N3O3_[2,2'-Bipyridine]-6-carboxamide, 3-hydroxy-4-methoxy-","exact_mass":245.08,"inchikey":"CTNBJOXYBJWTBJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":246.085327,"smiles":"COC1=C(O)C(=NC(=C1)C(N)=O)C2=NC=CC=C2","spectrum_id":"CCMSLIB00000854959","spectrum_index":5191},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380939-01_C12H11N3O3_[2,2'-Bipyridine]-6-carboxamide, 3-hydroxy-4-methoxy-","exact_mass":245.08,"inchikey":"CTNBJOXYBJWTBJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":268.066864,"smiles":"COC1=C(O)C(=NC(=C1)C(N)=O)C2=NC=CC=C2","spectrum_id":"CCMSLIB00000854961","spectrum_index":5192},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380941-01_C15H22O4_1,9b-Dihydroxy-6,6,9a-trimethyl-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-3(1H)-one","exact_mass":266.152,"inchikey":"XLGNZQXMDVSKOV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.183136,"smiles":"CC1(C)CCCC2(C)C1C\\C=C/3C(=O)OC(O)C23O","spectrum_id":"CCMSLIB00000854963","spectrum_index":5193},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380942-01_C13H20O2_1H-Indene-3-carboxylic acid, 3a,4,5,6,7,7a-hexahydro-3a,7,7-trimethyl-","exact_mass":208.146,"inchikey":"ACQRUPZAAPLQQP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":209.151718,"smiles":"CC1(C)CCCC\\2(C)C1C\\C=C2C(O)=O","spectrum_id":"CCMSLIB00000854965","spectrum_index":5194},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380942-01_C13H20O2_1H-Indene-3-carboxylic acid, 3a,4,5,6,7,7a-hexahydro-3a,7,7-trimethyl-","exact_mass":208.146,"inchikey":"ACQRUPZAAPLQQP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":191.141586,"smiles":"CC1(C)CCCC\\2(C)C1C\\C=C2C(O)=O","spectrum_id":"CCMSLIB00000854967","spectrum_index":5195},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380943-01_C15H20O4_Cyclodeca[b]furan-6-carboxylic acid, 2,3,3a,4,5,8,9,11a-octahydro-3,10-dimethyl-2-oxo-, (3S,3aS,6Z,10E,11aS)-","exact_mass":264.136,"inchikey":"JQZMBVCHIJERNH-STVAXTPNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.141083,"smiles":"C[C@H]1[C@@H]2CC\\C(=C\\CC\\C(=C\\[C@H]2OC1=O)C)C(O)=O","spectrum_id":"CCMSLIB00000854969","spectrum_index":5196},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380944-01_C30H46O3_(3beta,5xi,9xi,13alpha,17alpha,18xi)-3-Hydroxy-13,28-epoxyurs-11-en-28-one","exact_mass":454.345,"inchikey":"UVBLDLGZDSGCSN-MWOWFCOASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.347504,"smiles":"C[C@@H]1CC[C@@]23CC[C@@]4(C)[C@]5(C)CCC6C(C)(C)[C@@H](O)CC[C@]6(C)C5\\C=C/[C@]4(OC2=O)C3[C@H]1C","spectrum_id":"CCMSLIB00000854971","spectrum_index":5197},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380944-01_C30H46O3_(3beta,5xi,9xi,13alpha,17alpha,18xi)-3-Hydroxy-13,28-epoxyurs-11-en-28-one","exact_mass":454.345,"inchikey":"UVBLDLGZDSGCSN-MWOWFCOASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.337097,"smiles":"C[C@@H]1CC[C@@]23CC[C@@]4(C)[C@]5(C)CCC6C(C)(C)[C@@H](O)CC[C@]6(C)C5\\C=C/[C@]4(OC2=O)C3[C@H]1C","spectrum_id":"CCMSLIB00000854973","spectrum_index":5198},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380946-01_C16H18O8_(1S,3R,4S,5R)-1,3,5-Trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid","exact_mass":338.1,"inchikey":"XWRHBGVVCOSNKO-OTCYKTEZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.104401,"smiles":"O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)/C=C/C2=CC=C(O)C=C2)C(O)=O","spectrum_id":"CCMSLIB00000854975","spectrum_index":5199},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380946-01_C16H18O8_(1S,3R,4S,5R)-1,3,5-Trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid","exact_mass":338.1,"inchikey":"XWRHBGVVCOSNKO-OTCYKTEZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.08609,"smiles":"O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)/C=C/C2=CC=C(O)C=C2)C(O)=O","spectrum_id":"CCMSLIB00000854977","spectrum_index":5200},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380297-01_C12H17NO4_1,3-Dioxolo[4,5-c]pyridin-4(5H)-one, 2-(1-hydroxy-3-methylbutyl)-6-methyl-","exact_mass":239.116,"inchikey":"OWGDONWQBHBJKL-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":240.123398,"smiles":"CC(C)CC(O)C1OC/2=C(O1)/C(=O)N/C(=C2)C","spectrum_id":"CCMSLIB00000854979","spectrum_index":5201},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380304-01_C24H35NO5_(1aS,2R,3R,6E,10S,10aR,11S,13aS,14aS)-2,3-Dihydroxy-11-isobutyl-6,9,10-trimethyl-3,4,5,7a,10,10a,11,12-octahydro-1aH-oxireno[9,10]cycloundeca[1,2-d]isoindole-13,14(2H,14aH)-dione","exact_mass":417.252,"inchikey":"MJNAZPNWAXZOTC-BXGYEGKZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.25943,"smiles":"CC(C)C[C@@H]1NC(=O)[C@]23C(/C=C(C)/CC[C@@H](O)[C@@H](O)[C@@H]4O[C@@H]4C2=O)\\C=C(C)/[C@@H](C)[C@@H]13","spectrum_id":"CCMSLIB00000854981","spectrum_index":5202},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380304-01_C24H35NO5_(1aS,2R,3R,6E,10S,10aR,11S,13aS,14aS)-2,3-Dihydroxy-11-isobutyl-6,9,10-trimethyl-3,4,5,7a,10,10a,11,12-octahydro-1aH-oxireno[9,10]cycloundeca[1,2-d]isoindole-13,14(2H,14aH)-dione","exact_mass":417.252,"inchikey":"MJNAZPNWAXZOTC-BXGYEGKZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.249084,"smiles":"CC(C)C[C@@H]1NC(=O)[C@]23C(/C=C(C)/CC[C@@H](O)[C@@H](O)[C@@H]4O[C@@H]4C2=O)\\C=C(C)/[C@@H](C)[C@@H]13","spectrum_id":"CCMSLIB00000854983","spectrum_index":5203},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380304-01_C24H35NO5_(1aS,2R,3R,6E,10S,10aR,11S,13aS,14aS)-2,3-Dihydroxy-11-isobutyl-6,9,10-trimethyl-3,4,5,7a,10,10a,11,12-octahydro-1aH-oxireno[9,10]cycloundeca[1,2-d]isoindole-13,14(2H,14aH)-dione","exact_mass":417.252,"inchikey":"MJNAZPNWAXZOTC-BXGYEGKZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":440.241272,"smiles":"CC(C)C[C@@H]1NC(=O)[C@]23C(/C=C(C)/CC[C@@H](O)[C@@H](O)[C@@H]4O[C@@H]4C2=O)\\C=C(C)/[C@@H](C)[C@@H]13","spectrum_id":"CCMSLIB00000854985","spectrum_index":5204},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380305-01_C20H28O4_(1R,2R,8aR)-7-Isopropylidene-1,8a-dimethyl-6-oxo-1,2,3,4,6,7,8,8a-octahydro-2-naphthalenyl (2E)-4-hydroxy-2-methyl-2-butenoate","exact_mass":332.199,"inchikey":"NTPXWIICYLOOPF-IKIMRQNJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.206696,"smiles":"C[C@H]1[C@@H](CC\\C2=C\\C(=O)C(C[C@]12C)=C(C)C)OC(=O)\\C(C)=C\\CO","spectrum_id":"CCMSLIB00000854987","spectrum_index":5205},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380312-01_C24H35NO4_","exact_mass":401.257,"inchikey":"NDJDZINMNBVVHS-QWPOMPHKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.264282,"smiles":"CC(C)CC1NC(=O)C23OC(=O)\\C=C\\CC(O)CCC(=C\\C2\\C=C(C)/C(C)C13)\\C","spectrum_id":"CCMSLIB00000854995","spectrum_index":5206},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380312-01_C24H35NO4_","exact_mass":401.257,"inchikey":"NDJDZINMNBVVHS-QWPOMPHKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":384.254272,"smiles":"CC(C)CC1NC(=O)C23OC(=O)\\C=C\\CC(O)CCC(=C\\C2\\C=C(C)/C(C)C13)\\C","spectrum_id":"CCMSLIB00000854997","spectrum_index":5207},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380312-01_C24H35NO4_","exact_mass":401.257,"inchikey":"NDJDZINMNBVVHS-QWPOMPHKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":424.246765,"smiles":"CC(C)CC1NC(=O)C23OC(=O)\\C=C\\CC(O)CCC(=C\\C2\\C=C(C)/C(C)C13)\\C","spectrum_id":"CCMSLIB00000854999","spectrum_index":5208},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380314-01_C22H27NO7_3,5,7,9-Undecatetraenoic acid, 2-ethylidene-11-[4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hex-1-yl]-4,10-dimethyl-11-oxo-, methyl ester, (2Z,3E,5E,7E,9E)-","exact_mass":417.179,"inchikey":"OHWILISHWFHITP-TYVLSBBKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.186676,"smiles":"COC(=O)C(=C/C)\\C=C(C)\\C=C\\C=C\\C=C(C)\\C(=O)C12OC1C(O)(CCO)NC2=O","spectrum_id":"CCMSLIB00000855001","spectrum_index":5209},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380314-01_C22H27NO7_3,5,7,9-Undecatetraenoic acid, 2-ethylidene-11-[4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hex-1-yl]-4,10-dimethyl-11-oxo-, methyl ester, (2Z,3E,5E,7E,9E)-","exact_mass":417.179,"inchikey":"OHWILISHWFHITP-TYVLSBBKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.176483,"smiles":"COC(=O)C(=C/C)\\C=C(C)\\C=C\\C=C\\C=C(C)\\C(=O)C12OC1C(O)(CCO)NC2=O","spectrum_id":"CCMSLIB00000855003","spectrum_index":5210},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380314-01_C22H27NO7_3,5,7,9-Undecatetraenoic acid, 2-ethylidene-11-[4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hex-1-yl]-4,10-dimethyl-11-oxo-, methyl ester, (2Z,3E,5E,7E,9E)-","exact_mass":417.179,"inchikey":"OHWILISHWFHITP-TYVLSBBKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.213531,"smiles":"COC(=O)C(=C/C)\\C=C(C)\\C=C\\C=C\\C=C(C)\\C(=O)C12OC1C(O)(CCO)NC2=O","spectrum_id":"CCMSLIB00000855005","spectrum_index":5211},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380314-01_C22H27NO7_3,5,7,9-Undecatetraenoic acid, 2-ethylidene-11-[4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hex-1-yl]-4,10-dimethyl-11-oxo-, methyl ester, (2Z,3E,5E,7E,9E)-","exact_mass":417.179,"inchikey":"OHWILISHWFHITP-TYVLSBBKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":440.168396,"smiles":"COC(=O)C(=C/C)\\C=C(C)\\C=C\\C=C\\C=C(C)\\C(=O)C12OC1C(O)(CCO)NC2=O","spectrum_id":"CCMSLIB00000855007","spectrum_index":5212},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380319-01_C22H33NO5_6,6,9a-Trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl N-acetylvalinate","exact_mass":391.236,"inchikey":"HZCZALMQVYCUGC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":392.244354,"smiles":"CC(C)C(NC(C)=O)C(=O)OC1CCC(C)(C)C2C\\C=C3/C(COC3=O)C12C","spectrum_id":"CCMSLIB00000855009","spectrum_index":5213},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380320-01_C25H34O8_1H-Furo[3,4-b]xanthene-9-propanoic acid, 3,5a,6,7,8,9,9a,10-octahydro-7-hydroxy-8-(1-hydroxy-1-methylethyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-, (5aS,9R,9aR)-","exact_mass":462.225,"inchikey":"NNOMPFCNQCRAIO-RQAAHYCXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.232758,"smiles":"COC1=C2C[C@H]3[C@](C)(CC(O)C(C(C)(C)O)[C@]3(C)CCC(O)=O)OC2=C(C)C4=C1C(=O)OC4","spectrum_id":"CCMSLIB00000855011","spectrum_index":5214},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380320-01_C25H34O8_1H-Furo[3,4-b]xanthene-9-propanoic acid, 3,5a,6,7,8,9,9a,10-octahydro-7-hydroxy-8-(1-hydroxy-1-methylethyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-, (5aS,9R,9aR)-","exact_mass":462.225,"inchikey":"NNOMPFCNQCRAIO-RQAAHYCXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.222595,"smiles":"COC1=C2C[C@H]3[C@](C)(CC(O)C(C(C)(C)O)[C@]3(C)CCC(O)=O)OC2=C(C)C4=C1C(=O)OC4","spectrum_id":"CCMSLIB00000855013","spectrum_index":5215},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169779-03_C30H32O14_Spiro[cyclopenta[c]pyran-7(1H),2'(5'H)-furan]-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-4a,7a-dihydro-4'-[(1S)-1-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]ethyl]-5'-oxo-, methyl ester, (1S,4aS,7R,7aS)-","exact_mass":616.179,"inchikey":"WBCMGDNFDRNGGZ-BVLLVSGJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":617.189148,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1\\C=C/[C@@]3\\4OC(=O)\\C(=C4)[C@H](C)OC(=O)\\C=C\\C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000855015","spectrum_index":5216},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169779-03_C30H32O14_Spiro[cyclopenta[c]pyran-7(1H),2'(5'H)-furan]-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-4a,7a-dihydro-4'-[(1S)-1-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]ethyl]-5'-oxo-, methyl ester, (1S,4aS,7R,7aS)-","exact_mass":616.179,"inchikey":"WBCMGDNFDRNGGZ-BVLLVSGJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":639.171509,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1\\C=C/[C@@]3\\4OC(=O)\\C(=C4)[C@H](C)OC(=O)\\C=C\\C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000855017","spectrum_index":5217},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180350-02_C15H22O4_2-[(3S,3aR,5R,7aS)-3a-Acetyl-3-hydroxy-7a-methyloctahydro-1H-inden-5-yl]acrylic acid","exact_mass":266.152,"inchikey":"QHMVDJGMBDTIEY-DHMWGJHJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.161316,"smiles":"CC(=O)[C@]12C[C@@H](CC[C@@]1(C)CC[C@@H]2O)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000855019","spectrum_index":5218},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180350-02_C15H22O4_2-[(3S,3aR,5R,7aS)-3a-Acetyl-3-hydroxy-7a-methyloctahydro-1H-inden-5-yl]acrylic acid","exact_mass":266.152,"inchikey":"QHMVDJGMBDTIEY-DHMWGJHJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.150345,"smiles":"CC(=O)[C@]12C[C@@H](CC[C@@]1(C)CC[C@@H]2O)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000855021","spectrum_index":5219},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180350-02_C15H22O4_2-[(3S,3aR,5R,7aS)-3a-Acetyl-3-hydroxy-7a-methyloctahydro-1H-inden-5-yl]acrylic acid","exact_mass":266.152,"inchikey":"QHMVDJGMBDTIEY-DHMWGJHJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.143219,"smiles":"CC(=O)[C@]12C[C@@H](CC[C@@]1(C)CC[C@@H]2O)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000855023","spectrum_index":5220},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347528-02_C26H34O6_1H-Xanthene-1,3(2H)-dione, 4,9-dihydro-6,8-dihydroxy-2,2,4,4-tetramethyl-7-(3-methyl-1-oxobutyl)-9-(2-methylpropyl)-","exact_mass":442.236,"inchikey":"TYDBFNAOFZIICW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.246552,"smiles":"CC(C)CC\\1C2=C(O)C(=C(O)C=C2O\\C3=C1C(=O)C(C)(C)C(=O)C3(C)C)C(=O)CC(C)C","spectrum_id":"CCMSLIB00000855025","spectrum_index":5221},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347532-02_C26H32O14_Naphtho[2,3-c]furan-1(3H)-one, 4-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-methoxy-3-methyl-","exact_mass":568.179,"inchikey":"PAEOIXITAYMQRF-BYSCJPLWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":569.189026,"smiles":"COC1=CC=CC2=CC3=C(C(C)OC3=O)C(=C12)O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000855027","spectrum_index":5222},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385488-01_C15H20O7_beta-D-Glucopyranoside, (2E)-3-(4-hydroxyphenyl)-2-propen-1-yl","exact_mass":312.121,"inchikey":"CNNXMGXBAZQZDE-HHMSBIESSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.112305,"smiles":"OC[C@H]1O[C@@H](OC/C=C/C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855029","spectrum_index":5223},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385492-01_C14H16O3_(3R,3aR)-3-(3-Furyl)-3a,7-dimethyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one","exact_mass":232.11,"inchikey":"XYYAFLHHHZVPRN-GXTWGEPZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.118805,"smiles":"CC/1=C/2C(=O)O[C@@H](C3=COC=C3)[C@]2(C)CCC1","spectrum_id":"CCMSLIB00000855031","spectrum_index":5224},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385492-01_C14H16O3_(3R,3aR)-3-(3-Furyl)-3a,7-dimethyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one","exact_mass":232.11,"inchikey":"XYYAFLHHHZVPRN-GXTWGEPZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":215.108017,"smiles":"CC/1=C/2C(=O)O[C@@H](C3=COC=C3)[C@]2(C)CCC1","spectrum_id":"CCMSLIB00000855033","spectrum_index":5225},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385494-01_C37H60O10_","exact_mass":664.419,"inchikey":"BGABBPGRYJSRGX-ILHDQTQSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":665.428162,"smiles":"CC(=O)O[C@H]1C[C@H]2[C@]3(C)C[C@H](O)[C@H](C4(C)CCC(O4)C(C)(C)O)[C@@]3(C)CC[C@]25C[C@@]56CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@H]16","spectrum_id":"CCMSLIB00000855035","spectrum_index":5226},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385494-01_C37H60O10_","exact_mass":664.419,"inchikey":"BGABBPGRYJSRGX-ILHDQTQSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":687.410095,"smiles":"CC(=O)O[C@H]1C[C@H]2[C@]3(C)C[C@H](O)[C@H](C4(C)CCC(O4)C(C)(C)O)[C@@]3(C)CC[C@]25C[C@@]56CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@H]16","spectrum_id":"CCMSLIB00000855037","spectrum_index":5227},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385505-01_C19H20O10_(4-Methoxy-5-oxo-5H-furo[3,2-g]chromen-7-yl)methyl beta-D-glucopyranoside","exact_mass":408.106,"inchikey":"SJRACCTZSAUMGO-WIMVFMHDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.115906,"smiles":"COC1=C2C(=O)\\C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)/OC2=CC4=C1C=CO4","spectrum_id":"CCMSLIB00000855039","spectrum_index":5228},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385505-01_C19H20O10_(4-Methoxy-5-oxo-5H-furo[3,2-g]chromen-7-yl)methyl beta-D-glucopyranoside","exact_mass":408.106,"inchikey":"SJRACCTZSAUMGO-WIMVFMHDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.097443,"smiles":"COC1=C2C(=O)\\C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)/OC2=CC4=C1C=CO4","spectrum_id":"CCMSLIB00000855041","spectrum_index":5229},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347395-02_C28H46O9_(3beta,5beta,9beta,10alpha,13alpha,15R)-16-(beta-D-Galactopyranosyloxy)-3-hydroxypimar-8(14)-en-15-yl acetate","exact_mass":526.314,"inchikey":"ARNXUXYPWUWNPP-RXENORMESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":509.312225,"smiles":"CC(=O)O[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@]\\2(C)CC[C@@H]3\\C(=C2)CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]34C","spectrum_id":"CCMSLIB00000855043","spectrum_index":5230},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347419-02_C17H16O5_(3R)-3-(3,4-Dimethoxyphenyl)-8-hydroxy-3,4-dihydro-1H-isochromen-1-one","exact_mass":300.1,"inchikey":"WKNXOKHAEDTQCX-CQSZACIVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.108368,"smiles":"COC1=CC=C(C=C1OC)[C@H]2CC3=CC=CC(=C3C(=O)O2)O","spectrum_id":"CCMSLIB00000855045","spectrum_index":5231},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347419-02_C17H16O5_(3R)-3-(3,4-Dimethoxyphenyl)-8-hydroxy-3,4-dihydro-1H-isochromen-1-one","exact_mass":300.1,"inchikey":"WKNXOKHAEDTQCX-CQSZACIVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.097626,"smiles":"COC1=CC=C(C=C1OC)[C@H]2CC3=CC=CC(=C3C(=O)O2)O","spectrum_id":"CCMSLIB00000855047","spectrum_index":5232},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347419-02_C17H16O5_(3R)-3-(3,4-Dimethoxyphenyl)-8-hydroxy-3,4-dihydro-1H-isochromen-1-one","exact_mass":300.1,"inchikey":"WKNXOKHAEDTQCX-CQSZACIVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.134766,"smiles":"COC1=CC=C(C=C1OC)[C@H]2CC3=CC=CC(=C3C(=O)O2)O","spectrum_id":"CCMSLIB00000855049","spectrum_index":5233},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381419-01_C28H30N4O7_","exact_mass":534.211,"inchikey":"JBGBTPGEYVDMRV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.219727,"smiles":"COC(=O)C(CC1(OC(=O)C(C)C)C2N(O)C(C)(C)C(=O)N2C3=C1C=CC=C3)N4\\C=N/C5=C(C=CC=C5)C4=O","spectrum_id":"CCMSLIB00000855051","spectrum_index":5234},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381419-01_C28H30N4O7_","exact_mass":534.211,"inchikey":"JBGBTPGEYVDMRV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":557.201355,"smiles":"COC(=O)C(CC1(OC(=O)C(C)C)C2N(O)C(C)(C)C(=O)N2C3=C1C=CC=C3)N4\\C=N/C5=C(C=CC=C5)C4=O","spectrum_id":"CCMSLIB00000855053","spectrum_index":5235},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381424-01_C26H30O8_3-(1-Acetoxy-3-methylbutyl)-6-{2-hydroxy-4-methyl-6-[(1E)-3-oxo-1-buten-1-yl]phenoxy}-2-methoxybenzoic acid","exact_mass":470.194,"inchikey":"MTYBVLBBQPTSAU-BQYQJAHWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.230438,"smiles":"COC1=C(C(O)=O)C(=CC=C1C(CC(C)C)OC(C)=O)OC2=C(O)C=C(C)C=C2\\C=C\\C(C)=O","spectrum_id":"CCMSLIB00000855055","spectrum_index":5236},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381424-01_C26H30O8_3-(1-Acetoxy-3-methylbutyl)-6-{2-hydroxy-4-methyl-6-[(1E)-3-oxo-1-buten-1-yl]phenoxy}-2-methoxybenzoic acid","exact_mass":470.194,"inchikey":"MTYBVLBBQPTSAU-BQYQJAHWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.184814,"smiles":"COC1=C(C(O)=O)C(=CC=C1C(CC(C)C)OC(C)=O)OC2=C(O)C=C(C)C=C2\\C=C\\C(C)=O","spectrum_id":"CCMSLIB00000855057","spectrum_index":5237},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384525-01_C35H54O14_Card-17-enolide, 3-[(2-O-hexopyranosylhexopyranosyl)oxy]-14-hydroxy-, (17E)-","exact_mass":698.351,"inchikey":"NRQCIBSGSINRCF-KNTRCKAVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":721.340637,"smiles":"CC12CCC(CC1CCC3C2CCC4(C)\\C(CCC34O)=C5\\COC(=O)C5)OC6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000855059","spectrum_index":5238},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169025-02_C20H22O6_Benzoic acid, 2-hydroxy-6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-3-(3-methyl-2-buten-1-yl)-","exact_mass":358.142,"inchikey":"CQCKOPHUTBMXHC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.146729,"smiles":"CC(C)=CCC1=C(O)C(=C(OC2=C(CO)C=C(C)C=C2O)C=C1)C(O)=O","spectrum_id":"CCMSLIB00000855061","spectrum_index":5239},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169025-02_C20H22O6_Benzoic acid, 2-hydroxy-6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-3-(3-methyl-2-buten-1-yl)-","exact_mass":358.142,"inchikey":"CQCKOPHUTBMXHC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.136047,"smiles":"CC(C)=CCC1=C(O)C(=C(OC2=C(CO)C=C(C)C=C2O)C=C1)C(O)=O","spectrum_id":"CCMSLIB00000855063","spectrum_index":5240},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347778-02_C34H52O12_1,5,16-Trihydroxy-26-oxo-6,7:22,26-diepoxyergost-24-en-3-yl hexopyranoside","exact_mass":652.346,"inchikey":"INOKSQLHQGQUNF-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":675.32843,"smiles":"CC(C1C\\C(=C(\\C)C(=O)O1)C)C2C(O)CC3C4C(CCC23C)C5(C)C(O)CC(CC5(O)C6OC46)OC7OC(CO)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000855065","spectrum_index":5241},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347846-02_C30H38N2O5_(1E)-6-Hydroxy-12-(1H-indol-3-ylmethyl)-7-methoxy-4,13,13a-trimethyl-5,6,7,8,12,12a,13,13a,14a,14b-decahydro-3H-cycloundeca[d]oxireno[f]isoindole-9,10(4H,11H)-dione","exact_mass":506.278,"inchikey":"QTAIHYVDCKOYHV-JXMROGBWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":507.281586,"smiles":"COC1CC(=O)C23C(\\C=C\\CC(C)CC1O)C4OC4(C)C(C)C2C(CC5=C[NH]C6=CC=CC=C56)NC3=O","spectrum_id":"CCMSLIB00000855067","spectrum_index":5242},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381031-01_C36H56O10_Olean-12-en-28-oic acid, 3-(beta-D-glucopyranuronosyloxy)-23-hydroxy-, (3beta,5xi,9xi,18xi)-","exact_mass":648.387,"inchikey":"DYFUVQSGLMQLRX-CGBUBQHTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":690.424194,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(CO)C5CC[C@@]34C)C2C1)C(O)=O","spectrum_id":"CCMSLIB00000855069","spectrum_index":5243},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381032-01_C21H32O3_(3R,4R,5R)-3-[(11E)-11,15-Hexadecadien-9-yn-1-yl]-4-hydroxy-5-methyldihydro-2(3H)-furanone","exact_mass":332.235,"inchikey":"XVTXMBZTDMASHY-JCHUFIKGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.240173,"smiles":"C[C@H]1OC(=O)[C@H](CCCCCCCCC#C\\C=C\\CCC=C)[C@H]1O","spectrum_id":"CCMSLIB00000855071","spectrum_index":5244},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381032-01_C21H32O3_(3R,4R,5R)-3-[(11E)-11,15-Hexadecadien-9-yn-1-yl]-4-hydroxy-5-methyldihydro-2(3H)-furanone","exact_mass":332.235,"inchikey":"XVTXMBZTDMASHY-JCHUFIKGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":350.266754,"smiles":"C[C@H]1OC(=O)[C@H](CCCCCCCCC#C\\C=C\\CCC=C)[C@H]1O","spectrum_id":"CCMSLIB00000855073","spectrum_index":5245},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381034-01_C14H14O6_6H-Dibenzo[b,d]pyran-6-one, 2,3,4,4a-tetrahydro-2,3,7,9-tetrahydroxy-4a-methyl-","exact_mass":278.079,"inchikey":"LRVMOUROAVXZBI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.084412,"smiles":"CC12CC(O)C(O)/C=C1/C3=CC(=CC(=C3C(=O)O2)O)O","spectrum_id":"CCMSLIB00000855075","spectrum_index":5246},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381038-01_C28H35NO8_2-[1-Hydroxy-1,4-dimethyl-4-(4-methyl-3-penten-1-yl)-7-oxo-2,3,3a,4,7,9,10a,10b-octahydro-5,10-dioxa-8-azadicyclopenta[b,def]phenanthren-8(1H)-yl]pentanedioic acid","exact_mass":513.236,"inchikey":"VNTDWOKCKOGMPX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":514.240051,"smiles":"CC(C)=CCCC1(C)OC2=CC3=C(CN(C(CCC(O)=O)C(O)=O)C3=O)C4=C2C5C1CCC(C)(O)C5O4","spectrum_id":"CCMSLIB00000855077","spectrum_index":5247},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381039-01_C22H25NO8_8-Benzoyl-2-[(3Z)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione","exact_mass":431.158,"inchikey":"SLYDIPAXCVVRNY-WZUFQYTHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.161865,"smiles":"CC\\C=C/C(O)C(O)\\C1=C(/C)C(=O)C2(O1)C(O)C(NC2=O)(OC)C(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000855079","spectrum_index":5248},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381039-01_C22H25NO8_8-Benzoyl-2-[(3Z)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione","exact_mass":431.158,"inchikey":"SLYDIPAXCVVRNY-WZUFQYTHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":414.151794,"smiles":"CC\\C=C/C(O)C(O)\\C1=C(/C)C(=O)C2(O1)C(O)C(NC2=O)(OC)C(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000855081","spectrum_index":5249},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381039-01_C22H25NO8_8-Benzoyl-2-[(3Z)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione","exact_mass":431.158,"inchikey":"SLYDIPAXCVVRNY-WZUFQYTHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":454.143494,"smiles":"CC\\C=C/C(O)C(O)\\C1=C(/C)C(=O)C2(O1)C(O)C(NC2=O)(OC)C(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000855083","spectrum_index":5250},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385727-01_C31H40O8_(1R,5R,6R,13R,14R,16S)-6-(3-Furyl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0~2,11~.0~5,10~]heptadec-10-en-14-yl 2-methylpropanoate","exact_mass":540.272,"inchikey":"OTIOLMDUPDTDHA-ALMXKVGNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":541.284912,"smiles":"COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)C2CC/3=C/4CC(=O)O[C@@H](C5=COC=C5)[C@]4(C)CCC3[C@@]1(C)C2=O","spectrum_id":"CCMSLIB00000855085","spectrum_index":5251},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385727-01_C31H40O8_(1R,5R,6R,13R,14R,16S)-6-(3-Furyl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0~2,11~.0~5,10~]heptadec-10-en-14-yl 2-methylpropanoate","exact_mass":540.272,"inchikey":"OTIOLMDUPDTDHA-ALMXKVGNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.266724,"smiles":"COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)C2CC/3=C/4CC(=O)O[C@@H](C5=COC=C5)[C@]4(C)CCC3[C@@]1(C)C2=O","spectrum_id":"CCMSLIB00000855087","spectrum_index":5252},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385729-01_C52H84O22_6-Deoxy-alpha-D-mannopyranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2alpha,3alpha,5xi,6beta,9xi)-2,3,6,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-alpha-L-arabinopyranose","exact_mass":1060.55,"inchikey":"FCEXYTCUWAIJHN-VTWXIJDKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1061.553223,"smiles":"C[C@H]1O[C@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4OC(=O)[C@]56CCC(C)(C)C[C@H]5C/7=C/CC8[C@@]9(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)CC6)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855089","spectrum_index":5253},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385729-01_C52H84O22_6-Deoxy-alpha-D-mannopyranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2alpha,3alpha,5xi,6beta,9xi)-2,3,6,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-alpha-L-arabinopyranose","exact_mass":1060.55,"inchikey":"FCEXYTCUWAIJHN-VTWXIJDKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1043.543457,"smiles":"C[C@H]1O[C@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4OC(=O)[C@]56CCC(C)(C)C[C@H]5C/7=C/CC8[C@@]9(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)CC6)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855091","spectrum_index":5254},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385729-01_C52H84O22_6-Deoxy-alpha-D-mannopyranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2alpha,3alpha,5xi,6beta,9xi)-2,3,6,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-alpha-L-arabinopyranose","exact_mass":1060.55,"inchikey":"FCEXYTCUWAIJHN-VTWXIJDKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1083.534912,"smiles":"C[C@H]1O[C@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4OC(=O)[C@]56CCC(C)(C)C[C@H]5C/7=C/CC8[C@@]9(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)CC6)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855093","spectrum_index":5255},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385730-01_C67H106O28_","exact_mass":1358.69,"inchikey":"KYRFLECDBCSAMY-VVEOGCPPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1359.690186,"smiles":"CC(=C\\CCC(C)(O)C=C)/C(=O)OC1CC2(CCC3(C)\\C(=C/CC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(OC8OCC(O)C(O)C8O)C6OC9OC(CO)C(O)C(O)C9OC%10OCC(O)C(O)C%10O)C(C)(C)C5CCC34C)C2CC1(C)C)C(O)=O","spectrum_id":"CCMSLIB00000855095","spectrum_index":5256},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385731-01_C46H74O17_(3beta,5xi,9xi,16alpha)-3-{[alpha-L-Arabinopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranosyl]oxy}-16-hydroxyolean-12-en-28-oic acid","exact_mass":898.493,"inchikey":"WGFGSGMOAHUFDZ-JXKRDNPHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":899.503906,"smiles":"CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000855097","spectrum_index":5257},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385731-01_C46H74O17_(3beta,5xi,9xi,16alpha)-3-{[alpha-L-Arabinopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranosyl]oxy}-16-hydroxyolean-12-en-28-oic acid","exact_mass":898.493,"inchikey":"WGFGSGMOAHUFDZ-JXKRDNPHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":916.530518,"smiles":"CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000855099","spectrum_index":5258},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384514-02_C20H36O2_1-(3-Hydroxy-3-methyl-4-penten-1-yl)-2,5,5,8a-tetramethyldecahydro-2-naphthalenol","exact_mass":308.272,"inchikey":"XVULBTBTFGYVRC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.263641,"smiles":"CC1(C)CCCC2(C)C1CCC(C)(O)C2CCC(C)(O)C=C","spectrum_id":"CCMSLIB00000855101","spectrum_index":5259},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385928-01_C20H28O4_Gibbane-1,10-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, (1alpha,4aalpha,4bbeta,10beta)-","exact_mass":332.199,"inchikey":"UJFQJDAESQJXTG-UFUZVNNQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.208984,"smiles":"C[C@@]12CCC[C@](C)([C@H]1[C@H](C(O)=O)[C@@]34C[C@@H](CC[C@@H]23)C(=C)C4)C(O)=O","spectrum_id":"CCMSLIB00000855103","spectrum_index":5260},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385928-01_C20H28O4_Gibbane-1,10-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, (1alpha,4aalpha,4bbeta,10beta)-","exact_mass":332.199,"inchikey":"UJFQJDAESQJXTG-UFUZVNNQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.197906,"smiles":"C[C@@]12CCC[C@](C)([C@H]1[C@H](C(O)=O)[C@@]34C[C@@H](CC[C@@H]23)C(=C)C4)C(O)=O","spectrum_id":"CCMSLIB00000855105","spectrum_index":5261},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385932-01_C15H26N2_7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine, dodecahydro-, (7S,7aR,14S,14aS)-","exact_mass":234.21,"inchikey":"SLRCCWJSBJZJBV-LRMYVUMKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.218704,"smiles":"C1CCN2C[C@@H]3CC(CN4CCCC[C@H]34)[C@@H]2C1","spectrum_id":"CCMSLIB00000855107","spectrum_index":5262},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385934-01_C15H20O3_Bisoxireno[4,5:8,9]cyclodeca[1,2-b]furan, 1a,2,6,6a,7a,8,9,9a-octahydro-1a,5,7a-trimethyl-","exact_mass":248.141,"inchikey":"FNQFNSGVMLMZNV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.15033,"smiles":"CC1=COC2=C1CC3OC3(C)CCC4OC4(C)C2","spectrum_id":"CCMSLIB00000855109","spectrum_index":5263},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385934-01_C15H20O3_Bisoxireno[4,5:8,9]cyclodeca[1,2-b]furan, 1a,2,6,6a,7a,8,9,9a-octahydro-1a,5,7a-trimethyl-","exact_mass":248.141,"inchikey":"FNQFNSGVMLMZNV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.139404,"smiles":"CC1=COC2=C1CC3OC3(C)CCC4OC4(C)C2","spectrum_id":"CCMSLIB00000855111","spectrum_index":5264},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385937-01_C16H23NO7_2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione, 4,5,8,10,12,13,13a,13b-octahydro-3,4-dihydroxy-3,4,5-trimethyl-, 11-oxide","exact_mass":341.147,"inchikey":"LJYFZKKLKJAKAX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":342.15741,"smiles":"CC1C(=O)OC/C2=C/C[N+]3([O-])CCC(OC(=O)C(C)(O)C1(C)O)C23","spectrum_id":"CCMSLIB00000855113","spectrum_index":5265},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169844-02_C42H64O18_2(5H)-Furanone, 4-[(3S,4aR,6aR,6bS,9S,10aR,11bS)-3-[[O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->4)-6-deoxy-3-O-methyl-beta-L-idopyranosyl]oxy]hexadecahydro-6b-hydroxy-11b-methyl-10-methylene-1H-benzo[a]fluoren-9-yl]-","exact_mass":856.409,"inchikey":"HBAVPWHKFSXASX-UVFOGWNSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":879.398682,"smiles":"CO[C@@H]1[C@@H](O)[C@H](O[C@@H](C)[C@H]1O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6C5C[C@@H]7C(=C)[C@H](CC[C@]67O)\\C8=C\\C(=O)OC8)C4","spectrum_id":"CCMSLIB00000855115","spectrum_index":5266},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385068-02_C20H28O13_Benzoic acid, 4-methoxy-2-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-, methyl ester","exact_mass":476.153,"inchikey":"DZRVGBRAMLSZDQ-HSMQXHTESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.145355,"smiles":"COC(=O)C1=CC=C(OC)C=C1O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000855117","spectrum_index":5267},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385400-01_C19H18N2O2_3,3-Di(1H-indol-3-yl)-1,2-propanediol","exact_mass":306.137,"inchikey":"OGXNFSOEIVPPSG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.14679,"smiles":"OCC(O)C(C1=C[NH]C2=C1C=CC=C2)C3=C[NH]C4=C3C=CC=C4","spectrum_id":"CCMSLIB00000855119","spectrum_index":5268},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385403-01_C29H34O9_7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, alpha-(acetyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-4a,7,9,9-tetramethyl-2,10,13-trioxo-, methyl ester, (4R,4aR,7R,8S,11R)-","exact_mass":526.22,"inchikey":"GXYWZNJCGCCUAH-OREVSCHSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":527.230774,"smiles":"COC(=O)[C@H](OC(C)=O)[C@H]1C(C)(C)C(=O)[C@H]2C\\C3=C\\4CC(=O)O[C@@H](C5=COC=C5)[C@]4(C)CCC3[C@@]1(C)C2=O","spectrum_id":"CCMSLIB00000855121","spectrum_index":5269},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385411-01_C24H28O10_Spiro[furan-3(2H),1'(4'H)-naphthalene]-4'a,5'(5'H)-dicarboxylic acid, 6'-(acetyloxy)-5-(3-furanyl)-4,5,6',7',8',8'a-hexahydro-5'-hydroxy-2'-methyl-2-oxo-, dimethyl ester","exact_mass":476.168,"inchikey":"NOSUBWMAOPEEBW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":477.178467,"smiles":"COC(=O)C1(O)C(CCC2C3(CC(OC3=O)C4=COC=C4)\\C(=C/CC12C(=O)OC)C)OC(C)=O","spectrum_id":"CCMSLIB00000855123","spectrum_index":5270},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385411-01_C24H28O10_Spiro[furan-3(2H),1'(4'H)-naphthalene]-4'a,5'(5'H)-dicarboxylic acid, 6'-(acetyloxy)-5-(3-furanyl)-4,5,6',7',8',8'a-hexahydro-5'-hydroxy-2'-methyl-2-oxo-, dimethyl ester","exact_mass":476.168,"inchikey":"NOSUBWMAOPEEBW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.160217,"smiles":"COC(=O)C1(O)C(CCC2C3(CC(OC3=O)C4=COC=C4)\\C(=C/CC12C(=O)OC)C)OC(C)=O","spectrum_id":"CCMSLIB00000855125","spectrum_index":5271},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385412-01_C21H32O10_2,4-Pentadienoic acid, 5-[(1R,3S,5R,8S)-3-(beta-D-glucopyranosyloxy)-8-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl]-3-methyl-, (2Z,4E)-","exact_mass":444.2,"inchikey":"UHHVHDDICOEBTQ-QCJIOVKVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.210297,"smiles":"CC(/C=C/[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@@H](C2)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C/C(O)=O","spectrum_id":"CCMSLIB00000855127","spectrum_index":5272},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385412-01_C21H32O10_2,4-Pentadienoic acid, 5-[(1R,3S,5R,8S)-3-(beta-D-glucopyranosyloxy)-8-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl]-3-methyl-, (2Z,4E)-","exact_mass":444.2,"inchikey":"UHHVHDDICOEBTQ-QCJIOVKVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":467.191864,"smiles":"CC(/C=C/[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@@H](C2)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C/C(O)=O","spectrum_id":"CCMSLIB00000855129","spectrum_index":5273},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169236-03_C19H24O5_6H-2-Benzopyran-6-one, 7,8-dihydro-7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-","exact_mass":332.162,"inchikey":"AROQRNPRGIWLRE-CGJKORLASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.166626,"smiles":"CC(CCO)\\C=C(C)\\C=C\\C1=C\\C\\2=C\\C(=O)C(C)(O)C(O)C2=C/O1","spectrum_id":"CCMSLIB00000855131","spectrum_index":5274},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169236-03_C19H24O5_6H-2-Benzopyran-6-one, 7,8-dihydro-7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-","exact_mass":332.162,"inchikey":"AROQRNPRGIWLRE-CGJKORLASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.148376,"smiles":"CC(CCO)\\C=C(C)\\C=C\\C1=C\\C\\2=C\\C(=O)C(C)(O)C(O)C2=C/O1","spectrum_id":"CCMSLIB00000855133","spectrum_index":5275},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380928-01_C11H14O6_3,4,7-Trihydroxy-7-methyl-2-[(1E)-1-propen-1-yl]-2,3,4,7-tetrahydro-5H-furo[3,4-b]pyran-5-one","exact_mass":242.079,"inchikey":"HKZCFYIVMLZKKX-ONEGZZNKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":243.083954,"smiles":"C/C=C/C1O\\C2=C(/C(O)C1O)C(=O)OC2(C)O","spectrum_id":"CCMSLIB00000855135","spectrum_index":5276},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380928-01_C11H14O6_3,4,7-Trihydroxy-7-methyl-2-[(1E)-1-propen-1-yl]-2,3,4,7-tetrahydro-5H-furo[3,4-b]pyran-5-one","exact_mass":242.079,"inchikey":"HKZCFYIVMLZKKX-ONEGZZNKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.065857,"smiles":"C/C=C/C1O\\C2=C(/C(O)C1O)C(=O)OC2(C)O","spectrum_id":"CCMSLIB00000855137","spectrum_index":5277},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380929-01_C14H22O4_(2E)-2-(Hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-isopropyl-2-cyclohexen-1-yl]acrylic acid","exact_mass":254.152,"inchikey":"SLVSUVFUFJKMCV-URFGDBDFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.145996,"smiles":"CC(C)[C@H]1CC\\C(=C/[C@@H]1/C=C(CO)/C(O)=O)CO","spectrum_id":"CCMSLIB00000855139","spectrum_index":5278},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380930-01_C15H26O4_1H-Indene-4-carboxylic acid, octahydro-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-","exact_mass":270.183,"inchikey":"CAKZQSFFOAEEET-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.177444,"smiles":"CC1CCC2C(C)(C)CC(C)(CO)C2(O)C1C(O)=O","spectrum_id":"CCMSLIB00000855141","spectrum_index":5279},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380931-01_C26H42O10_","exact_mass":514.278,"inchikey":"YKVWDRYOZQXKSV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":515.285706,"smiles":"CC1(CCOC2OC(CO)C(O)C(O)C2O)CCC34OC3(C1)C(O)CC5C(C)(CCCC45C)C(O)=O","spectrum_id":"CCMSLIB00000855143","spectrum_index":5280},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380932-01_C29H42O9_9-Hydroxy-9-[({(2E)-2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropyl-2-cyclohexen-1-yl]-2-propenoyl}oxy)methyl]-6-isopropyl-1-oxo-1,3,5a,6,7,8,9,9a-octahydro-2-benzoxepine-4-carboxylic acid","exact_mass":534.283,"inchikey":"RCOCBDNPQGVEDL-KEBDBYFISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.273987,"smiles":"CC(C)C1CC\\C(=C/C1/C=C(CO)/C(=O)OCC2(O)CCC(C(C)C)C3\\C=C(/COC(=O)C23)C(O)=O)CO","spectrum_id":"CCMSLIB00000855145","spectrum_index":5281},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380932-01_C29H42O9_9-Hydroxy-9-[({(2E)-2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropyl-2-cyclohexen-1-yl]-2-propenoyl}oxy)methyl]-6-isopropyl-1-oxo-1,3,5a,6,7,8,9,9a-octahydro-2-benzoxepine-4-carboxylic acid","exact_mass":534.283,"inchikey":"RCOCBDNPQGVEDL-KEBDBYFISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":557.268494,"smiles":"CC(C)C1CC\\C(=C/C1/C=C(CO)/C(=O)OCC2(O)CCC(C(C)C)C3\\C=C(/COC(=O)C23)C(O)=O)CO","spectrum_id":"CCMSLIB00000855147","spectrum_index":5282},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00142623-05_C41H64O13_Crystodigin","exact_mass":764.435,"inchikey":"WDJUZGPOPHTGOT-XUDUSOBPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":787.417603,"smiles":"C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]3[C@@H](O)C[C@@H](O[C@@H]3C)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)/C8=C/C(=O)OC8)C4","spectrum_id":"CCMSLIB00000855149","spectrum_index":5283},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00164367-10_C47H51NO14_Taxol","exact_mass":853.331,"inchikey":"RCINICONZNJXQF-MZXODVADSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":854.33136,"smiles":"CC(=O)O[C@H]\\1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C4=CC=CC=C4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7)/C(=C1C5(C)C)C","spectrum_id":"CCMSLIB00000855151","spectrum_index":5284},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00164367-10_C47H51NO14_Taxol","exact_mass":853.331,"inchikey":"RCINICONZNJXQF-MZXODVADSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":876.313599,"smiles":"CC(=O)O[C@H]\\1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C4=CC=CC=C4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7)/C(=C1C5(C)C)C","spectrum_id":"CCMSLIB00000855153","spectrum_index":5285},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347566-02_C34H59N3O9_1,7,13-Trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone, 4,10,16-trimethyl-3,6,9,12,18-pentakis(1-methylethyl)-15-[(1S)-1-methylpropyl]-, (3S,6R,9S,12R,15S,18R)-","exact_mass":653.425,"inchikey":"UQCSETXJXJTMKO-NLABLYSUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":654.430115,"smiles":"CC[C@@H](C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000855155","spectrum_index":5286},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347566-02_C34H59N3O9_1,7,13-Trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone, 4,10,16-trimethyl-3,6,9,12,18-pentakis(1-methylethyl)-15-[(1S)-1-methylpropyl]-, (3S,6R,9S,12R,15S,18R)-","exact_mass":653.425,"inchikey":"UQCSETXJXJTMKO-NLABLYSUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":676.41156,"smiles":"CC[C@@H](C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000855157","spectrum_index":5287},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347566-02_C34H59N3O9_1,7,13-Trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone, 4,10,16-trimethyl-3,6,9,12,18-pentakis(1-methylethyl)-15-[(1S)-1-methylpropyl]-, (3S,6R,9S,12R,15S,18R)-","exact_mass":653.425,"inchikey":"UQCSETXJXJTMKO-NLABLYSUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":692.38501,"smiles":"CC[C@@H](C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C","spectrum_id":"CCMSLIB00000855159","spectrum_index":5288},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385184-01_C32H36N2O5_chaetoglobin A","exact_mass":528.262,"inchikey":"OUMWCYMRLMEZJH-VOXRAUTJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":529.269043,"smiles":"C[C@H]/1C\\C=C\\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]4[C@H](CC5=C[NH]C6=C5C=CC=C6)NC(=O)[C@@]24C(=O)\\C=C\\C(=O)[C@H](O)\\C(=C1)C","spectrum_id":"CCMSLIB00000855161","spectrum_index":5289},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385184-01_C32H36N2O5_chaetoglobin A","exact_mass":528.262,"inchikey":"OUMWCYMRLMEZJH-VOXRAUTJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":511.256866,"smiles":"C[C@H]/1C\\C=C\\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]4[C@H](CC5=C[NH]C6=C5C=CC=C6)NC(=O)[C@@]24C(=O)\\C=C\\C(=O)[C@H](O)\\C(=C1)C","spectrum_id":"CCMSLIB00000855164","spectrum_index":5290},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385184-01_C32H36N2O5_chaetoglobin A","exact_mass":528.262,"inchikey":"OUMWCYMRLMEZJH-VOXRAUTJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.250244,"smiles":"C[C@H]/1C\\C=C\\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]4[C@H](CC5=C[NH]C6=C5C=CC=C6)NC(=O)[C@@]24C(=O)\\C=C\\C(=O)[C@H](O)\\C(=C1)C","spectrum_id":"CCMSLIB00000855166","spectrum_index":5291},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385185-01_C18H21N3O2_(1Z)-4-Isopropyl-1-(2-methylpropylidene)-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione","exact_mass":311.163,"inchikey":"RBFIISQAYNLQQY-ZROIWOOFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":312.170746,"smiles":"CC(C)/C=C/1NC(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3\\N=C12","spectrum_id":"CCMSLIB00000855167","spectrum_index":5292},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169655-02_C21H30O12_4-Allyl-2-(beta-D-glucopyranosyloxy)phenyl beta-D-glucopyranoside","exact_mass":474.174,"inchikey":"SFQLDKSMEHBZRN-LWZURRPWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":492.210602,"smiles":"OC[C@H]1O[C@@H](OC2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C(CC=C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855169","spectrum_index":5293},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169655-02_C21H30O12_4-Allyl-2-(beta-D-glucopyranosyloxy)phenyl beta-D-glucopyranoside","exact_mass":474.174,"inchikey":"SFQLDKSMEHBZRN-LWZURRPWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":497.165497,"smiles":"OC[C@H]1O[C@@H](OC2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C(CC=C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855171","spectrum_index":5294},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169955-02_C13H18O6_Benzyl beta-D-glucopyranoside","exact_mass":270.11,"inchikey":"GKHCBYYBLTXYEV-UJPOAAIJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.102051,"smiles":"OC[C@H]1O[C@@H](OCC2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855173","spectrum_index":5295},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347375-02_C48H76O19_beta-D-Glucopyranose, O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->6)]-1-O-[3,27-dihydroxy-27,28-dioxolup-20(29)-en-28-yl]-","exact_mass":956.498,"inchikey":"MYHLDHTXTZOTIK-KUFPYRFNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":957.505554,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H](OC(=O)C45CCC(C4C6CCC7C8(C)CCC(O)C(C)(C)C8CCC7(C)C6(CC5)C(O)=O)C(C)=C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855176","spectrum_index":5296},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347375-02_C48H76O19_beta-D-Glucopyranose, O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->6)]-1-O-[3,27-dihydroxy-27,28-dioxolup-20(29)-en-28-yl]-","exact_mass":956.498,"inchikey":"MYHLDHTXTZOTIK-KUFPYRFNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":979.488281,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H](OC(=O)C45CCC(C4C6CCC7C8(C)CCC(O)C(C)(C)C8CCC7(C)C6(CC5)C(O)=O)C(C)=C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855178","spectrum_index":5297},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347623-02_C36H56O14_Card-20(22)-enolide, 3-[[(1R)-4-O-(6-deoxy-3-O-methylhexopyranosyl)hexopyranosyl]oxy]-1,14-dihydroxy-, (1beta,3beta,8xi,9xi)-","exact_mass":712.367,"inchikey":"DQIYJLQYJNLYLJ-SLOABROESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":713.37738,"smiles":"COC1C(O)C(C)OC(OC2C(O)C(O)[C@H](O[C@H]3C[C@@H](O)[C@@]4(C)C(CCC5C4CC[C@]6(C)[C@H](CC[C@]56O)\\C7=C\\C(=O)OC7)C3)OC2CO)C1O","spectrum_id":"CCMSLIB00000855180","spectrum_index":5298},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381281-01_C23H30O13_alpha-D-Glucopyranoside, 4-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-beta-D-fructofuranosyl, 6-acetate","exact_mass":514.169,"inchikey":"MUVPZRLZLOTAOL-BLFJEXFJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":537.161743,"smiles":"CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)\\C=C\\C3=CC=CC=C3)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855184","spectrum_index":5299},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381283-01_C63H102O29_Hexopyranose, O-pentopyranosyl-(1->6)-O-hexopyranosyl-(1->4)-1-O-[(3beta,5xi,9xi,18xi)-28-oxo-3-[[O-pentopyranosyl-(1->4)-O-pentopyranosyl-(1->4)-6-deoxyhexopyranosyl]oxy]olean-12-en-28-yl]-","exact_mass":1322.65,"inchikey":"DUPDAJGZMLLYNK-KJPOGGLGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1323.656006,"smiles":"CC1OC(O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3C\\C=C/5C6CC(C)(C)CC[C@@]6(CC[C@@]45C)C(=O)OC7OC(CO)C(OC8OC(COC9OCC(O)C(O)C9O)C(O)C(O)C8O)C(O)C7O)C2(C)C)C(O)C(O)C1OC%10OCC(OC%11OCC(O)C(O)C%11O)C(O)C%10O","spectrum_id":"CCMSLIB00000855185","spectrum_index":5300},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381284-01_C70H112O31_Olean-12-en-28-oic acid, 3-[[O-hexopyranosyl-(1->6)-O-hexopyranosyl-(1->3)-O-hexopyranosyl-(1->3)-O-hexopyranosyl-(1->3)-6-O-[(2E)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadien-1-yl]hexopyranosyl]oxy]-21-hydroxy-","exact_mass":1448.72,"inchikey":"NXRVFTALJPMTGK-VVEOGCPPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1449.716797,"smiles":"CC(=C\\CCC(C)(O)C=C)/C(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3C\\C=C/5C6CC(C)(C)C(O)CC6(CCC45C)C(O)=O)C2(C)C)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(OC9OC(COC%10OC(CO)C(O)C(O)C%10O)C(O)C(O)C9O)C8O)C7O)C1O","spectrum_id":"CCMSLIB00000855188","spectrum_index":5301},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381289-01_C26H32O12_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-6-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-, methyl ester, (1S,4aS,5S,6R,7R,7aR)-","exact_mass":536.189,"inchikey":"KWXCZSMMAKGXBP-DSADJFPISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":537.199707,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](OC(=O)/C=C/C4=CC=CC=C4)[C@@H](O)[C@H]13","spectrum_id":"CCMSLIB00000855190","spectrum_index":5302},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381289-01_C26H32O12_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-6-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-, methyl ester, (1S,4aS,5S,6R,7R,7aR)-","exact_mass":536.189,"inchikey":"KWXCZSMMAKGXBP-DSADJFPISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.189331,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](OC(=O)/C=C/C4=CC=CC=C4)[C@@H](O)[C@H]13","spectrum_id":"CCMSLIB00000855191","spectrum_index":5303},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381289-01_C26H32O12_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-6-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-, methyl ester, (1S,4aS,5S,6R,7R,7aR)-","exact_mass":536.189,"inchikey":"KWXCZSMMAKGXBP-DSADJFPISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":554.226562,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](OC(=O)/C=C/C4=CC=CC=C4)[C@@H](O)[C@H]13","spectrum_id":"CCMSLIB00000855194","spectrum_index":5304},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381289-01_C26H32O12_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-6-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-, methyl ester, (1S,4aS,5S,6R,7R,7aR)-","exact_mass":536.189,"inchikey":"KWXCZSMMAKGXBP-DSADJFPISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.181335,"smiles":"COC(=O)C/1=C/O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](OC(=O)/C=C/C4=CC=CC=C4)[C@@H](O)[C@H]13","spectrum_id":"CCMSLIB00000855196","spectrum_index":5305},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169769-02_C15H22O2_2-Naphthaleneacetic acid, 1,2,3,5,6,7,8,8a-octahydro-8,8a-dimethyl-alpha-methylene-, (2R,8S,8aR)-","exact_mass":234.162,"inchikey":"FMWJHXDPCQWVEJ-JVLSTEMRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.168976,"smiles":"C[C@H]1CCC\\C2=C\\C[C@H](C[C@]12C)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000855197","spectrum_index":5306},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180731-02_C19H26O12_Methyl 2-{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}benzoate","exact_mass":446.142,"inchikey":"VHUNCYDAXJGCLO-AHMNSWSSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":464.175079,"smiles":"COC(=O)C1=C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=CC=C1","spectrum_id":"CCMSLIB00000855200","spectrum_index":5307},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180731-02_C19H26O12_Methyl 2-{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}benzoate","exact_mass":446.142,"inchikey":"VHUNCYDAXJGCLO-AHMNSWSSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.130707,"smiles":"COC(=O)C1=C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=CC=C1","spectrum_id":"CCMSLIB00000855202","spectrum_index":5308},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385020-01_C15H22O3_(3aR,4aS,5S,5aR,6aR)-5-(3-Hydroxybutyl)-5a-methyl-3-methyleneoctahydro-2H-cyclopropa[f][1]benzofuran-2-one","exact_mass":250.157,"inchikey":"MTIXBBDFRVGBOQ-WQFFSLPPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.163864,"smiles":"CC(O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C","spectrum_id":"CCMSLIB00000855204","spectrum_index":5309},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385020-01_C15H22O3_(3aR,4aS,5S,5aR,6aR)-5-(3-Hydroxybutyl)-5a-methyl-3-methyleneoctahydro-2H-cyclopropa[f][1]benzofuran-2-one","exact_mass":250.157,"inchikey":"MTIXBBDFRVGBOQ-WQFFSLPPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.146179,"smiles":"CC(O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C","spectrum_id":"CCMSLIB00000855206","spectrum_index":5310},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385020-01_C15H22O3_(3aR,4aS,5S,5aR,6aR)-5-(3-Hydroxybutyl)-5a-methyl-3-methyleneoctahydro-2H-cyclopropa[f][1]benzofuran-2-one","exact_mass":250.157,"inchikey":"MTIXBBDFRVGBOQ-WQFFSLPPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":292.19046,"smiles":"CC(O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C","spectrum_id":"CCMSLIB00000855208","spectrum_index":5311},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385023-01_C36H58O9_(1S,7S,9beta,23E)-9-Formyl-1,25-dihydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23-dien-7-yl beta-D-glucopyranoside","exact_mass":634.408,"inchikey":"BOHOBTRHAFBJOW-GXLHQHSHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":652.438538,"smiles":"C[C@H](C\\C=C\\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)/C=C/5C(CC[C@H](O)C5(C)C)[C@@]3(CC[C@]12C)C=O","spectrum_id":"CCMSLIB00000855210","spectrum_index":5312},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385023-01_C36H58O9_(1S,7S,9beta,23E)-9-Formyl-1,25-dihydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23-dien-7-yl beta-D-glucopyranoside","exact_mass":634.408,"inchikey":"BOHOBTRHAFBJOW-GXLHQHSHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":657.393982,"smiles":"C[C@H](C\\C=C\\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)/C=C/5C(CC[C@H](O)C5(C)C)[C@@]3(CC[C@]12C)C=O","spectrum_id":"CCMSLIB00000855212","spectrum_index":5313},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385028-01_C15H20O5_Bisoxireno[4,5:8,9]cyclodeca[1,2-b]furan-4(1aH)-one, 2,2a,6,6a,7a,8,9,9a-octahydro-2a-hydroxy-1a,5,7a-trimethyl-, (1aS,2aR,6aR,7aS)-","exact_mass":280.131,"inchikey":"HHGREWJPFBZWTH-RWIJBZRFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.13797,"smiles":"CC\\1=C2/C[C@H]3O[C@@]3(C)CCC4O[C@@]4(C)C[C@@]2(O)OC1=O","spectrum_id":"CCMSLIB00000855216","spectrum_index":5314},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385028-01_C15H20O5_Bisoxireno[4,5:8,9]cyclodeca[1,2-b]furan-4(1aH)-one, 2,2a,6,6a,7a,8,9,9a-octahydro-2a-hydroxy-1a,5,7a-trimethyl-, (1aS,2aR,6aR,7aS)-","exact_mass":280.131,"inchikey":"HHGREWJPFBZWTH-RWIJBZRFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.127502,"smiles":"CC\\1=C2/C[C@H]3O[C@@]3(C)CCC4O[C@@]4(C)C[C@@]2(O)OC1=O","spectrum_id":"CCMSLIB00000855217","spectrum_index":5315},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385029-01_C19H22O8_Ethanone, 1-[1-(beta-D-glucopyranosyloxy)-8-hydroxy-3-methyl-2-naphthalenyl]-","exact_mass":378.131,"inchikey":"DNABNTQMDXKPON-ZIIYPAMZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.138275,"smiles":"CC(=O)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3=C(O)C=CC=C3C=C1C","spectrum_id":"CCMSLIB00000855219","spectrum_index":5316},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385029-01_C19H22O8_Ethanone, 1-[1-(beta-D-glucopyranosyloxy)-8-hydroxy-3-methyl-2-naphthalenyl]-","exact_mass":378.131,"inchikey":"DNABNTQMDXKPON-ZIIYPAMZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.127899,"smiles":"CC(=O)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3=C(O)C=CC=C3C=C1C","spectrum_id":"CCMSLIB00000855222","spectrum_index":5317},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385029-01_C19H22O8_Ethanone, 1-[1-(beta-D-glucopyranosyloxy)-8-hydroxy-3-methyl-2-naphthalenyl]-","exact_mass":378.131,"inchikey":"DNABNTQMDXKPON-ZIIYPAMZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.119751,"smiles":"CC(=O)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3=C(O)C=CC=C3C=C1C","spectrum_id":"CCMSLIB00000855223","spectrum_index":5318},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385030-01_C40H48O21_13,14-Dihydroxy-15-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-3-isobutyl-5,9-dioxo-3-{[(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}benzyl)oxy]carbonyl}-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-7-carboxylic acid","exact_mass":864.269,"inchikey":"XRCPVTIMWPBGBZ-XPWGGUAHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":865.268921,"smiles":"CC(C)CC1(CC(=O)OC(CC(=O)OCC2OC(O1)C(OC(=O)\\C=C\\C3=CC=C(O)C=C3)C(O)C2O)C(O)=O)C(=O)OCC4=CC=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4","spectrum_id":"CCMSLIB00000855225","spectrum_index":5319},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385030-01_C40H48O21_13,14-Dihydroxy-15-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-3-isobutyl-5,9-dioxo-3-{[(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}benzyl)oxy]carbonyl}-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-7-carboxylic acid","exact_mass":864.269,"inchikey":"XRCPVTIMWPBGBZ-XPWGGUAHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":887.251221,"smiles":"CC(C)CC1(CC(=O)OC(CC(=O)OCC2OC(O1)C(OC(=O)\\C=C\\C3=CC=C(O)C=C3)C(O)C2O)C(O)=O)C(=O)OCC4=CC=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4","spectrum_id":"CCMSLIB00000855227","spectrum_index":5320},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169914-02_C15H22O3_(1aS,2R,6R,7R,7aR,7bR)-1a-Isopropenyl-7,7a-dimethyl-1a,2,4,5,6,7,7a,7b-octahydronaphtho[1,2-b]oxirene-2,6-diol","exact_mass":250.157,"inchikey":"CHWPMFMUQATVNK-ARYYTZDLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.164062,"smiles":"C[C@H]1[C@H](O)CC\\C2=C\\[C@@H](O)[C@@]3(O[C@@H]3[C@]12C)C(C)=C","spectrum_id":"CCMSLIB00000855230","spectrum_index":5321},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380393-01_C15H20O4_Pentaleno[1,6a-c]pyran-9-carboxylic acid, 1,3,4,5,6,7,7a,9a-octahydro-4,6,6-trimethyl-3-oxo-, (4S,4aR,7aS,9aR)-","exact_mass":264.136,"inchikey":"MRLXXQBBRNRWDA-LIEMUPCESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.143433,"smiles":"C[C@@H]1C(=O)OC[C@H]2\\C(=C/[C@@H]3CC(C)(C)C[C@]123)C(O)=O","spectrum_id":"CCMSLIB00000855232","spectrum_index":5322},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380393-01_C15H20O4_Pentaleno[1,6a-c]pyran-9-carboxylic acid, 1,3,4,5,6,7,7a,9a-octahydro-4,6,6-trimethyl-3-oxo-, (4S,4aR,7aS,9aR)-","exact_mass":264.136,"inchikey":"MRLXXQBBRNRWDA-LIEMUPCESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.13266,"smiles":"C[C@@H]1C(=O)OC[C@H]2\\C(=C/[C@@H]3CC(C)(C)C[C@]123)C(O)=O","spectrum_id":"CCMSLIB00000855234","spectrum_index":5323},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380393-01_C15H20O4_Pentaleno[1,6a-c]pyran-9-carboxylic acid, 1,3,4,5,6,7,7a,9a-octahydro-4,6,6-trimethyl-3-oxo-, (4S,4aR,7aS,9aR)-","exact_mass":264.136,"inchikey":"MRLXXQBBRNRWDA-LIEMUPCESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.125458,"smiles":"C[C@@H]1C(=O)OC[C@H]2\\C(=C/[C@@H]3CC(C)(C)C[C@]123)C(O)=O","spectrum_id":"CCMSLIB00000855235","spectrum_index":5324},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380395-01_C29H42N4O6_5-Carbamimidamido-2-(4,6'-dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3',4',4a',5',6,6',7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7(3H)-yl)pentanoic acid","exact_mass":542.31,"inchikey":"FVWRHZWMISXFKU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.317322,"smiles":"CC1CCC2C(C)(C)C(O)CCC2(C)C13CC4=C(O3)C5=C(C=C4O)C(=O)N(C5)C(CCCNC(N)=N)C(O)=O","spectrum_id":"CCMSLIB00000855237","spectrum_index":5325},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380397-01_C25H39NO3_(7E)-3-Isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","exact_mass":401.293,"inchikey":"BECNNJLLIXQSGY-FOWTUZBSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.30014,"smiles":"COC1CCCCC(=C\\C2\\C=C(C)/C(C)C3C(CC(C)C)NC(=O)C23C(=O)C1)\\C","spectrum_id":"CCMSLIB00000855246","spectrum_index":5326},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380397-01_C25H39NO3_(7E)-3-Isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","exact_mass":401.293,"inchikey":"BECNNJLLIXQSGY-FOWTUZBSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":424.281921,"smiles":"COC1CCCCC(=C\\C2\\C=C(C)/C(C)C3C(CC(C)C)NC(=O)C23C(=O)C1)\\C","spectrum_id":"CCMSLIB00000855248","spectrum_index":5327},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380400-01_C17H24O7_Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4-acetate, (3alpha,4beta,8alpha)-","exact_mass":340.152,"inchikey":"CSYVMZMEBKUDRQ-BNWDXEGFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.148743,"smiles":"CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3\\C=C(C)/[C@@H](O)C[C@]3(CO)[C@]1(C)[C@]24CO4","spectrum_id":"CCMSLIB00000855249","spectrum_index":5328},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380402-01_C26H36O8_","exact_mass":476.241,"inchikey":"LQLBJBHPDHBGLH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":477.247894,"smiles":"COC(=O)CCC1(C)C2CC3=C(OC2(C)CC(O)C1C(C)(C)O)C(=C4COC(=O)C4=C3OC)C","spectrum_id":"CCMSLIB00000855252","spectrum_index":5329},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380402-01_C26H36O8_","exact_mass":476.241,"inchikey":"LQLBJBHPDHBGLH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":459.237579,"smiles":"COC(=O)CCC1(C)C2CC3=C(OC2(C)CC(O)C1C(C)(C)O)C(=C4COC(=O)C4=C3OC)C","spectrum_id":"CCMSLIB00000855253","spectrum_index":5330},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380403-01_C19H23N3O4_2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 6-acetyl-6,10b,11,11a-tetrahydro-10b-hydroxy-3-(2-methylpropyl)-","exact_mass":357.169,"inchikey":"IQSAULADRNRYOT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":358.176331,"smiles":"CC(C)CC1NC(=O)C2CC3(O)C(N2C1=O)N(C(C)=O)C4=CC=CC=C34","spectrum_id":"CCMSLIB00000855255","spectrum_index":5331},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380403-01_C19H23N3O4_2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 6-acetyl-6,10b,11,11a-tetrahydro-10b-hydroxy-3-(2-methylpropyl)-","exact_mass":357.169,"inchikey":"IQSAULADRNRYOT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":380.158325,"smiles":"CC(C)CC1NC(=O)C2CC3(O)C(N2C1=O)N(C(C)=O)C4=CC=CC=C34","spectrum_id":"CCMSLIB00000855257","spectrum_index":5332},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00091250-14_C33H40N2O9_Serpalan","exact_mass":608.273,"inchikey":"QEVHRUUCFGRFIF-MDEJGZGSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.280457,"smiles":"CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([NH]C5=CC(=CC=C45)OC)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)C6=CC(=C(OC)C(=C6)OC)OC","spectrum_id":"CCMSLIB00000855259","spectrum_index":5333},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00092360-03_C10H13N5O3_3'-Deoxyadenosine","exact_mass":251.102,"inchikey":"OFEZSBMBBKLLBJ-BAJZRUMYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":252.109375,"smiles":"NC1=NC=NC2=C1N=C[N]2[C@@H]3O[C@H](CO)C[C@H]3O","spectrum_id":"CCMSLIB00000855262","spectrum_index":5334},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168472-03_C20H30O2_(5xi,9xi,13alpha)-Pimara-7,15-dien-18-oic acid","exact_mass":302.225,"inchikey":"MXYATHGRPJZBNA-SSYYCLFMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.232819,"smiles":"C[C@@]1(CCC2\\C(=C/CC3[C@]2(C)CCC[C@@]3(C)C(O)=O)C1)C=C","spectrum_id":"CCMSLIB00000855263","spectrum_index":5335},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384937-01_C17H22O5_3-(12-Hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1~7,10~.0~1,6~]tridec-2-en-5-yl)propanoic acid","exact_mass":306.147,"inchikey":"TVMUTJRGKLRTET-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.154266,"smiles":"CC1(CCC(O)=O)C2C3CC4CC2(\\C=C/C1=O)C(O)C4(C)O3","spectrum_id":"CCMSLIB00000855266","spectrum_index":5336},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384937-01_C17H22O5_3-(12-Hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1~7,10~.0~1,6~]tridec-2-en-5-yl)propanoic acid","exact_mass":306.147,"inchikey":"TVMUTJRGKLRTET-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.143555,"smiles":"CC1(CCC(O)=O)C2C3CC4CC2(\\C=C/C1=O)C(O)C4(C)O3","spectrum_id":"CCMSLIB00000855267","spectrum_index":5337},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384937-01_C17H22O5_3-(12-Hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1~7,10~.0~1,6~]tridec-2-en-5-yl)propanoic acid","exact_mass":306.147,"inchikey":"TVMUTJRGKLRTET-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.135956,"smiles":"CC1(CCC(O)=O)C2C3CC4CC2(\\C=C/C1=O)C(O)C4(C)O3","spectrum_id":"CCMSLIB00000855269","spectrum_index":5338},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384939-01_C28H38O8_Methyl 3-acetoxy-16-hydroxy-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-ene-14-carboxylate","exact_mass":502.257,"inchikey":"VNBOCIKTDWMWMX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":520.290588,"smiles":"COC(=O)C12C(=O)C(C)(O)C(=O)C1(C)\\C(=C/C3C2(C)CCC4C(C)(C)C(CCC34C=O)OC(C)=O)C","spectrum_id":"CCMSLIB00000855272","spectrum_index":5339},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384943-01_C38H53NO11_(3alpha,5beta,9beta,10alpha,14beta)-3-Acetoxy-14-(2,4-dihydroxy-5-oxo-2,5-dihydro-3-furanyl)-15-{[(2R,5R,6S)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-8,13-dimethylpodocarp-12-en-16-yl 5-methyl-1H-pyrrole-2-carboxylate","exact_mass":699.362,"inchikey":"ZIOIITMDKMWZOA-NQVHLRGHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":700.366333,"smiles":"CO[C@@H]1CC[C@H](OC[C@]2(COC(=O)C3=CC=C(C)[NH]3)[C@@H](CC[C@]4(C)[C@@H]2CC[C@]5(C)[C@H]4C\\C=C(C)/[C@H]5/C6=C(O)/C(=O)OC6O)OC(C)=O)O[C@H]1C","spectrum_id":"CCMSLIB00000855274","spectrum_index":5340},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384943-01_C38H53NO11_(3alpha,5beta,9beta,10alpha,14beta)-3-Acetoxy-14-(2,4-dihydroxy-5-oxo-2,5-dihydro-3-furanyl)-15-{[(2R,5R,6S)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-8,13-dimethylpodocarp-12-en-16-yl 5-methyl-1H-pyrrole-2-carboxylate","exact_mass":699.362,"inchikey":"ZIOIITMDKMWZOA-NQVHLRGHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":722.348694,"smiles":"CO[C@@H]1CC[C@H](OC[C@]2(COC(=O)C3=CC=C(C)[NH]3)[C@@H](CC[C@]4(C)[C@@H]2CC[C@]5(C)[C@H]4C\\C=C(C)/[C@H]5/C6=C(O)/C(=O)OC6O)OC(C)=O)O[C@H]1C","spectrum_id":"CCMSLIB00000855275","spectrum_index":5341},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384944-01_C21H28O14_","exact_mass":504.148,"inchikey":"RQBYQAQHXGPEBG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":505.15506,"smiles":"CC1=C(C)C(=C2OC3OC(C(O)C(O)C3O)C(O)C(O)C4OC(OC1=C2)C(O)C(O)C4O)C(O)=O","spectrum_id":"CCMSLIB00000855277","spectrum_index":5342},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384944-01_C21H28O14_","exact_mass":504.148,"inchikey":"RQBYQAQHXGPEBG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.181702,"smiles":"CC1=C(C)C(=C2OC3OC(C(O)C(O)C3O)C(O)C(O)C4OC(OC1=C2)C(O)C(O)C4O)C(O)=O","spectrum_id":"CCMSLIB00000855279","spectrum_index":5343},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384944-01_C21H28O14_","exact_mass":504.148,"inchikey":"RQBYQAQHXGPEBG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":527.137146,"smiles":"CC1=C(C)C(=C2OC3OC(C(O)C(O)C3O)C(O)C(O)C4OC(OC1=C2)C(O)C(O)C4O)C(O)=O","spectrum_id":"CCMSLIB00000855281","spectrum_index":5344},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168904-03_C20H32O2_1-Naphthalenecarboxaldehyde, decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1S,4aR,5S)-","exact_mass":304.24,"inchikey":"FSLWKIHHQUNBQK-BGTRDHLMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.236755,"smiles":"C\\C(CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C=O)=C/CO","spectrum_id":"CCMSLIB00000855283","spectrum_index":5345},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168904-03_C20H32O2_1-Naphthalenecarboxaldehyde, decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1S,4aR,5S)-","exact_mass":304.24,"inchikey":"FSLWKIHHQUNBQK-BGTRDHLMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.229401,"smiles":"C\\C(CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C=O)=C/CO","spectrum_id":"CCMSLIB00000855286","spectrum_index":5346},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169814-02_C19H28O10_Benzyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":416.168,"inchikey":"SMUMBCREXHTKFN-VZOUQOBNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.200897,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855287","spectrum_index":5347},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169814-02_C19H28O10_Benzyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","exact_mass":416.168,"inchikey":"SMUMBCREXHTKFN-VZOUQOBNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.156952,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855289","spectrum_index":5348},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380273-01_C43H66O16_beta-D-Glucopyranose, 1-O-[(3beta,5xi,9xi)-3-(beta-D-glucopyranuronosyloxy)-30-methoxy-28,30-dioxoolean-12-en-28-yl]-","exact_mass":838.435,"inchikey":"MUEUOXPTUMGVJS-VOSOKIIWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":856.465332,"smiles":"COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000855291","spectrum_index":5349},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380273-01_C43H66O16_beta-D-Glucopyranose, 1-O-[(3beta,5xi,9xi)-3-(beta-D-glucopyranuronosyloxy)-30-methoxy-28,30-dioxoolean-12-en-28-yl]-","exact_mass":838.435,"inchikey":"MUEUOXPTUMGVJS-VOSOKIIWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":861.421387,"smiles":"COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000855294","spectrum_index":5350},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380275-01_C12H22O6_beta-D-Glucopyranoside, (3Z)-3-hexen-1-yl","exact_mass":262.142,"inchikey":"OZIPFYKAIOOVEJ-ODWUMMNUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.148529,"smiles":"CC\\C=C/CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855295","spectrum_index":5351},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380275-01_C12H22O6_beta-D-Glucopyranoside, (3Z)-3-hexen-1-yl","exact_mass":262.142,"inchikey":"OZIPFYKAIOOVEJ-ODWUMMNUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":280.174896,"smiles":"CC\\C=C/CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855297","spectrum_index":5352},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380275-01_C12H22O6_beta-D-Glucopyranoside, (3Z)-3-hexen-1-yl","exact_mass":262.142,"inchikey":"OZIPFYKAIOOVEJ-ODWUMMNUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.130585,"smiles":"CC\\C=C/CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855299","spectrum_index":5353},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380281-01_C21H30O4_4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-1,1-dimethyl-7-(1-methylethyl)-, methyl ester, (4aR)-","exact_mass":346.214,"inchikey":"IIJLVJMZYPZQLW-MZVUKIKXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.221222,"smiles":"COC(=O)[C@]12CCCC(C)(C)C1CCC3=C2C(=C(O)C(=C3)C(C)C)O","spectrum_id":"CCMSLIB00000855302","spectrum_index":5354},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380281-01_C21H30O4_4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-1,1-dimethyl-7-(1-methylethyl)-, methyl ester, (4aR)-","exact_mass":346.214,"inchikey":"IIJLVJMZYPZQLW-MZVUKIKXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.248291,"smiles":"COC(=O)[C@]12CCCC(C)(C)C1CCC3=C2C(=C(O)C(=C3)C(C)C)O","spectrum_id":"CCMSLIB00000855304","spectrum_index":5355},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380287-01_C28H33NO7_(1E,4S,6R,7E,11aS,14S,14aS,15S,15aR,16aS,16bS)-14-Benzyl-6-hydroxy-4,6,15,15a-tetramethyl-3,13,14,14a,15,15a,16a,16b-octahydro[1,3]dioxacyclotridecino[4,5-d]oxireno[f]isoindole-5,10,12(4H,6H)-trione","exact_mass":495.226,"inchikey":"LAJXCUNOQSHRJO-ZYGJITOWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":496.231964,"smiles":"C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]4[C@H](CC5=CC=CC=C5)NC(=O)[C@@]24OC(=O)O/C=C/[C@@](C)(O)C1=O","spectrum_id":"CCMSLIB00000855305","spectrum_index":5356},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380287-01_C28H33NO7_(1E,4S,6R,7E,11aS,14S,14aS,15S,15aR,16aS,16bS)-14-Benzyl-6-hydroxy-4,6,15,15a-tetramethyl-3,13,14,14a,15,15a,16a,16b-octahydro[1,3]dioxacyclotridecino[4,5-d]oxireno[f]isoindole-5,10,12(4H,6H)-trione","exact_mass":495.226,"inchikey":"LAJXCUNOQSHRJO-ZYGJITOWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":513.258423,"smiles":"C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]4[C@H](CC5=CC=CC=C5)NC(=O)[C@@]24OC(=O)O/C=C/[C@@](C)(O)C1=O","spectrum_id":"CCMSLIB00000855307","spectrum_index":5357},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380287-01_C28H33NO7_(1E,4S,6R,7E,11aS,14S,14aS,15S,15aR,16aS,16bS)-14-Benzyl-6-hydroxy-4,6,15,15a-tetramethyl-3,13,14,14a,15,15a,16a,16b-octahydro[1,3]dioxacyclotridecino[4,5-d]oxireno[f]isoindole-5,10,12(4H,6H)-trione","exact_mass":495.226,"inchikey":"LAJXCUNOQSHRJO-ZYGJITOWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":518.214294,"smiles":"C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]4[C@H](CC5=CC=CC=C5)NC(=O)[C@@]24OC(=O)O/C=C/[C@@](C)(O)C1=O","spectrum_id":"CCMSLIB00000855309","spectrum_index":5358},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380288-01_C21H26O5_Tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 16,17-dimethoxy-","exact_mass":358.178,"inchikey":"SBGBAZQAEOWGFT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.18515,"smiles":"COC1=C(OC)C2=CC(=C1O)CCCCC(O)CCC3=CC2=C(O)C=C3","spectrum_id":"CCMSLIB00000855311","spectrum_index":5359},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380288-01_C21H26O5_Tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 16,17-dimethoxy-","exact_mass":358.178,"inchikey":"SBGBAZQAEOWGFT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.174683,"smiles":"COC1=C(OC)C2=CC(=C1O)CCCCC(O)CCC3=CC2=C(O)C=C3","spectrum_id":"CCMSLIB00000855313","spectrum_index":5360},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380288-01_C21H26O5_Tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 16,17-dimethoxy-","exact_mass":358.178,"inchikey":"SBGBAZQAEOWGFT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.210999,"smiles":"COC1=C(OC)C2=CC(=C1O)CCCCC(O)CCC3=CC2=C(O)C=C3","spectrum_id":"CCMSLIB00000855316","spectrum_index":5361},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380289-01_C32H50O9_beta-D-Xylopyranoside, 3,17-dihydroxyspirost-5-en-1-yl","exact_mass":578.345,"inchikey":"HVNSMSNIQCASPS-KSSYOAMNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.351013,"smiles":"CC1CCC2(OC1)OC3CC4C5C/C=C6/CC(O)CC(O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C6(C)C5CCC4(C)C3(O)C2C","spectrum_id":"CCMSLIB00000855317","spectrum_index":5362},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380289-01_C32H50O9_beta-D-Xylopyranoside, 3,17-dihydroxyspirost-5-en-1-yl","exact_mass":578.345,"inchikey":"HVNSMSNIQCASPS-KSSYOAMNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.340515,"smiles":"CC1CCC2(OC1)OC3CC4C5C/C=C6/CC(O)CC(O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C6(C)C5CCC4(C)C3(O)C2C","spectrum_id":"CCMSLIB00000855320","spectrum_index":5363},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385565-01_C41H60O16_1-O-{[(4aS,6aS,6bR,9R,10S,11S,12aR)-9-Formyl-10-(beta-D-glucopyranuronosyloxy)-11-hydroxy-6a,6b,9,12a-tetramethyl-2-methylene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenyl]carbonyl}-beta-D-glucopyranose","exact_mass":808.388,"inchikey":"XHFQOXMGWOLQDQ-JKXJITROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":826.427124,"smiles":"C[C@]12C[C@H](O)[C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@](C)(C=O)C1CC[C@]4(C)C2C\\C=C/5C6CC(=C)CC[C@@]6(CC[C@@]45C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000855321","spectrum_index":5364},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385565-01_C41H60O16_1-O-{[(4aS,6aS,6bR,9R,10S,11S,12aR)-9-Formyl-10-(beta-D-glucopyranuronosyloxy)-11-hydroxy-6a,6b,9,12a-tetramethyl-2-methylene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenyl]carbonyl}-beta-D-glucopyranose","exact_mass":808.388,"inchikey":"XHFQOXMGWOLQDQ-JKXJITROSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":831.383972,"smiles":"C[C@]12C[C@H](O)[C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@](C)(C=O)C1CC[C@]4(C)C2C\\C=C/5C6CC(=C)CC[C@@]6(CC[C@@]45C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000855323","spectrum_index":5365},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384847-01_C26H34O12_","exact_mass":538.205,"inchikey":"AWTYKUNFPBFFHC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.200195,"smiles":"COC1=CC(=CC=C1O)C(O)C2COC(C2CO)C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C(=C3)OC","spectrum_id":"CCMSLIB00000855325","spectrum_index":5366},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384848-01_C21H36O10_2-[3,8-Dihydroxy-8-(hydroxymethyl)-3-methyl-2-oxodecahydro-5-azulenyl]-2-propanyl hexopyranoside","exact_mass":448.231,"inchikey":"QNBLVYVBWDIWDM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.218811,"smiles":"CC(C)(OC1OC(CO)C(O)C(O)C1O)C2CCC(O)(CO)C3CC(=O)C(C)(O)C3C2","spectrum_id":"CCMSLIB00000855327","spectrum_index":5367},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384849-01_C21H34O10_2H-Cyclohepta[b]furan-2-one, 4-acetyl-6-[1-(beta-D-glucopyranosyloxy)-1-methylethyl]octahydro-8a-(hydroxymethyl)-, (3aS,4R,6R,8aR)-","exact_mass":446.215,"inchikey":"HIJTUHQXWSDVSN-IBYSJJMLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.221893,"smiles":"CC(=O)[C@@H]1C[C@@H](CC[C@@]2(CO)OC(=O)C[C@@H]12)C(C)(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000855330","spectrum_index":5368},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384850-01_C25H33N5O7_2-({3-Phenyl-3-[(N-{2-[(1H-pyrrol-2-ylcarbonyl)amino]butanoyl}seryl)amino]propanoyl}amino)butanoic acid","exact_mass":515.238,"inchikey":"MSWRFBPAGLGJCX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":516.243958,"smiles":"CCC(NC(=O)CC(NC(=O)C(CO)NC(=O)C(CC)NC(=O)C1=CC=C[NH]1)C2=CC=CC=C2)C(O)=O","spectrum_id":"CCMSLIB00000855331","spectrum_index":5369},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384850-01_C25H33N5O7_2-({3-Phenyl-3-[(N-{2-[(1H-pyrrol-2-ylcarbonyl)amino]butanoyl}seryl)amino]propanoyl}amino)butanoic acid","exact_mass":515.238,"inchikey":"MSWRFBPAGLGJCX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":538.225891,"smiles":"CCC(NC(=O)CC(NC(=O)C(CO)NC(=O)C(CC)NC(=O)C1=CC=C[NH]1)C2=CC=CC=C2)C(O)=O","spectrum_id":"CCMSLIB00000855333","spectrum_index":5370},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384851-01_C17H28O3_2-Naphthalenemethanol, 7-(acetyloxy)decahydro-alpha,alpha,4a-trimethyl-8-methylene-","exact_mass":280.204,"inchikey":"ZWIVVTOKXTZAOT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.200317,"smiles":"CC(=O)OC1CCC2(C)CCC(CC2C1=C)C(C)(C)O","spectrum_id":"CCMSLIB00000855335","spectrum_index":5371},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384851-01_C17H28O3_2-Naphthalenemethanol, 7-(acetyloxy)decahydro-alpha,alpha,4a-trimethyl-8-methylene-","exact_mass":280.204,"inchikey":"ZWIVVTOKXTZAOT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.237427,"smiles":"CC(=O)OC1CCC2(C)CCC(CC2C1=C)C(C)(C)O","spectrum_id":"CCMSLIB00000855337","spectrum_index":5372},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384852-02_C54H86O17_2-Butenoic acid, 2-methyl-, 3-[[O--2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-O--2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-O--2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy]-14-hydroxy-20-oxopregn-5-en-12-yl ester, (2E)-","exact_mass":1006.59,"inchikey":"KQRYTIJIWAGUQB-MZJWZYIUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1024.611572,"smiles":"COC1CC(OC(C)C1O)OC2C(C)OC(CC2OC)OC3C(C)OC(CC3OC)OC4C(C)OC(CC4OC)OC5CCC6(C)C7CC(OC(=O)\\C(C)=C\\C)C8(C)C(CCC8(O)C7C/C=C6/C5)C(C)=O","spectrum_id":"CCMSLIB00000855340","spectrum_index":5373},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384852-02_C54H86O17_2-Butenoic acid, 2-methyl-, 3-[[O--2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-O--2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-O--2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy]-14-hydroxy-20-oxopregn-5-en-12-yl ester, (2E)-","exact_mass":1006.59,"inchikey":"KQRYTIJIWAGUQB-MZJWZYIUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1029.56665,"smiles":"COC1CC(OC(C)C1O)OC2C(C)OC(CC2OC)OC3C(C)OC(CC3OC)OC4C(C)OC(CC4OC)OC5CCC6(C)C7CC(OC(=O)\\C(C)=C\\C)C8(C)C(CCC8(O)C7C/C=C6/C5)C(C)=O","spectrum_id":"CCMSLIB00000855342","spectrum_index":5374},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384853-01_C39H62O16_20-Oxopregn-16-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranoside","exact_mass":786.404,"inchikey":"BMYRBNMVIYYGDC-UDTVTKPGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":787.405457,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OC4CCC5(C)C(CCC6C5CCC\\7(C)C6C\\C=C7C(C)=O)C4)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855344","spectrum_index":5375},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384853-01_C39H62O16_20-Oxopregn-16-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranoside","exact_mass":786.404,"inchikey":"BMYRBNMVIYYGDC-UDTVTKPGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":809.387207,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OC4CCC5(C)C(CCC6C5CCC\\7(C)C6C\\C=C7C(C)=O)C4)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855345","spectrum_index":5376},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386110-01_C19H23N3O2_(3S,6S)-3-Methyl-6-{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-2,5-piperazinedione","exact_mass":325.179,"inchikey":"LVPZJIGICMPWFH-NHYWBVRUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":326.186035,"smiles":"C[C@@H]1NC(=O)[C@H](CC2=C([NH]C3=C2C=CC=C3)C(C)(C)C=C)NC1=O","spectrum_id":"CCMSLIB00000855348","spectrum_index":5377},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015169-03_C20H17NO6_6-(6-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)furo[3,4-e][1,3]benzodioxol-8(6H)-one","exact_mass":367.106,"inchikey":"IYGYMKDQCDOMRE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":368.114075,"smiles":"CN1CCC2=C(C=C3OCOC3=C2)C1C4OC(=O)C5=C4C=CC6=C5OCO6","spectrum_id":"CCMSLIB00000855349","spectrum_index":5378},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169248-02_C22H34O5_7-Oxabicyclo[4.1.0]hept-3-ene-2,5-diol, 4-(hydroxymethyl)-1-[[1,4,4a,5,6,7,8,8a-octahydro-5-(hydroxymethyl)-2,5,8a-trimethyl-1-naphthalenyl]methyl]-","exact_mass":378.241,"inchikey":"ADIALAZTBGIRSN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.248566,"smiles":"C\\C1=C\\CC2C(C)(CO)CCCC2(C)C1CC34OC3C(O)\\C(=C/C4O)CO","spectrum_id":"CCMSLIB00000855351","spectrum_index":5379},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169248-02_C22H34O5_7-Oxabicyclo[4.1.0]hept-3-ene-2,5-diol, 4-(hydroxymethyl)-1-[[1,4,4a,5,6,7,8,8a-octahydro-5-(hydroxymethyl)-2,5,8a-trimethyl-1-naphthalenyl]methyl]-","exact_mass":378.241,"inchikey":"ADIALAZTBGIRSN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.237976,"smiles":"C\\C1=C\\CC2C(C)(CO)CCCC2(C)C1CC34OC3C(O)\\C(=C/C4O)CO","spectrum_id":"CCMSLIB00000855353","spectrum_index":5380},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169928-02_C25H24O13_(6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside","exact_mass":532.122,"inchikey":"ZHXRWFOBROFZAC-LVYGOKBNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":533.128235,"smiles":"O[C@H]1[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=CC3=C(C=C2)[C@@H]4OC5=C(C=C6OCOC6=C5)[C@@H]4CO3)[C@@H]1O","spectrum_id":"CCMSLIB00000855355","spectrum_index":5381},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169928-02_C25H24O13_(6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside","exact_mass":532.122,"inchikey":"ZHXRWFOBROFZAC-LVYGOKBNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":550.154541,"smiles":"O[C@H]1[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=CC3=C(C=C2)[C@@H]4OC5=C(C=C6OCOC6=C5)[C@@H]4CO3)[C@@H]1O","spectrum_id":"CCMSLIB00000855358","spectrum_index":5382},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169928-02_C25H24O13_(6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside","exact_mass":532.122,"inchikey":"ZHXRWFOBROFZAC-LVYGOKBNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":555.109619,"smiles":"O[C@H]1[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=CC3=C(C=C2)[C@@H]4OC5=C(C=C6OCOC6=C5)[C@@H]4CO3)[C@@H]1O","spectrum_id":"CCMSLIB00000855359","spectrum_index":5383},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347878-02_C24H28O13_beta-D-Glucopyranoside, 4-hydroxyphenyl 2-O-[(2S,3R,4S)-tetrahydro-3,4-dihydroxy-4-[[(4-hydroxybenzoyl)oxy]methyl]-2-furanyl]-","exact_mass":524.153,"inchikey":"GDCHGVOUTCXBSI-JALRXJJFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":542.186218,"smiles":"OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O[C@@H]3OC[C@](O)(COC(=O)C4=CC=C(O)C=C4)[C@H]3O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855361","spectrum_index":5384},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347878-02_C24H28O13_beta-D-Glucopyranoside, 4-hydroxyphenyl 2-O-[(2S,3R,4S)-tetrahydro-3,4-dihydroxy-4-[[(4-hydroxybenzoyl)oxy]methyl]-2-furanyl]-","exact_mass":524.153,"inchikey":"GDCHGVOUTCXBSI-JALRXJJFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":547.141357,"smiles":"OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O[C@@H]3OC[C@](O)(COC(=O)C4=CC=C(O)C=C4)[C@H]3O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855363","spectrum_index":5385},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384673-01_C28H34O5_17-(3-Furyl)-4,4,8-trimethyl-3,16-dioxoandrosta-1,14-dien-7-yl acetate","exact_mass":450.241,"inchikey":"KWAMDQVQFVBEAU-ABTVBUHUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.248047,"smiles":"CC(=O)O[C@@H]1CC2C(C)(C)C(=O)\\C=C/[C@]2(C)C3CC[C@@]\\4(C)[C@H](C(=O)\\C=C4[C@]13C)C5=COC=C5","spectrum_id":"CCMSLIB00000855366","spectrum_index":5386},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384675-01_C20H24O10_6H-9,4a-(Epoxymethano)-3aH,9H-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-2,6,13(1H)-trione, 11-(1,1-dimethylethyl)hexahydro-1,4b,8-trihydroxy-5-methyl-, (3aR,4aR,4bR,5S,7aS,9R,11S)-","exact_mass":424.137,"inchikey":"SQOJOAFXDQDRGF-NNGCZKEZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.128998,"smiles":"C[C@@H]1C(=O)O[C@H]2[C@H](O)C34[C@H]5C[C@@H](C(C)(C)C)C36[C@@H](O)C(=O)O[C@H]6O[C@@]4(C(=O)O5)[C@@]12O","spectrum_id":"CCMSLIB00000855367","spectrum_index":5387},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384677-01_C42H71NO29_","exact_mass":1053.41,"inchikey":"CLQVYHFCGNGQEU-VYRUCNLXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1054.409546,"smiles":"CC(C)CC(=O)O[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](C)[C@@H](N[C@H]3\\C=C(CO)/[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855369","spectrum_index":5388},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180744-03_C19H24O6_Naphtho[2,3-b]furan-9(4H)-one, 4,8-bis(acetyloxy)-4a,5,6,7,8,8a-hexahydro-3,4a,5-trimethyl-, (4S,4aR,5S,8S,8aS)-","exact_mass":348.157,"inchikey":"FBUJYYRONHLNQF-JTGGRASYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.167297,"smiles":"C[C@H]1CC[C@H](OC(C)=O)[C@H]2C(=O)C3=C([C@@H](OC(C)=O)[C@]12C)C(=CO3)C","spectrum_id":"CCMSLIB00000855371","spectrum_index":5389},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180744-03_C19H24O6_Naphtho[2,3-b]furan-9(4H)-one, 4,8-bis(acetyloxy)-4a,5,6,7,8,8a-hexahydro-3,4a,5-trimethyl-, (4S,4aR,5S,8S,8aS)-","exact_mass":348.157,"inchikey":"FBUJYYRONHLNQF-JTGGRASYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.156647,"smiles":"C[C@H]1CC[C@H](OC(C)=O)[C@H]2C(=O)C3=C([C@@H](OC(C)=O)[C@]12C)C(=CO3)C","spectrum_id":"CCMSLIB00000855373","spectrum_index":5390},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180744-03_C19H24O6_Naphtho[2,3-b]furan-9(4H)-one, 4,8-bis(acetyloxy)-4a,5,6,7,8,8a-hexahydro-3,4a,5-trimethyl-, (4S,4aR,5S,8S,8aS)-","exact_mass":348.157,"inchikey":"FBUJYYRONHLNQF-JTGGRASYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.149963,"smiles":"C[C@H]1CC[C@H](OC(C)=O)[C@H]2C(=O)C3=C([C@@H](OC(C)=O)[C@]12C)C(=CO3)C","spectrum_id":"CCMSLIB00000855375","spectrum_index":5391},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381239-01_C17H29NO10_2-{[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-3-methylbutanenitrile","exact_mass":407.179,"inchikey":"QCHGZRADLYPSQB-SCRPALTRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.215973,"smiles":"CC(C)C(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C#N","spectrum_id":"CCMSLIB00000855377","spectrum_index":5392},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381239-01_C17H29NO10_2-{[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-3-methylbutanenitrile","exact_mass":407.179,"inchikey":"QCHGZRADLYPSQB-SCRPALTRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":430.17157,"smiles":"CC(C)C(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C#N","spectrum_id":"CCMSLIB00000855379","spectrum_index":5393},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381243-01_C39H48O21_","exact_mass":852.269,"inchikey":"FIDNWEXBAPOGEH-RUHMBFGZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":875.259338,"smiles":"COC(=O)C/1=C/OC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=C/COC(=O)C3=CC(=C(OC4OC(CO)C(O)C(O)C4O)C=C3)OC)\\C1CC(=O)OCCC5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000855381","spectrum_index":5394},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381245-01_C22H30O8_2-[6-{[(2Z)-4-Acetoxy-2-methyl-2-butenoyl]oxy}-2-hydroxy-3-(3-hydroxy-1-propen-2-yl)-4-methyl-4-vinylcyclohexyl]acrylic acid","exact_mass":422.194,"inchikey":"CBLZOHGNZALBTH-WQLSENKSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.204498,"smiles":"CC(=O)OC\\C=C(C)/C(=O)OC1CC(C)(C=C)C(C(O)C1C(=C)C(O)=O)C(=C)CO","spectrum_id":"CCMSLIB00000855383","spectrum_index":5395},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381245-01_C22H30O8_2-[6-{[(2Z)-4-Acetoxy-2-methyl-2-butenoyl]oxy}-2-hydroxy-3-(3-hydroxy-1-propen-2-yl)-4-methyl-4-vinylcyclohexyl]acrylic acid","exact_mass":422.194,"inchikey":"CBLZOHGNZALBTH-WQLSENKSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.186127,"smiles":"CC(=O)OC\\C=C(C)/C(=O)OC1CC(C)(C=C)C(C(O)C1C(=C)C(O)=O)C(=C)CO","spectrum_id":"CCMSLIB00000855385","spectrum_index":5396},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381246-01_C20H30O5_2-Cyclopentene-1-octanoic acid, 1-(acetyloxy)-4-oxo-5-[(2Z)-2-penten-1-yl]-","exact_mass":350.209,"inchikey":"ASFSFFDVAZBZON-YWEYNIOJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.219147,"smiles":"CC\\C=C/CC1C(=O)\\C=C/C1(CCCCCCCC(O)=O)OC(C)=O","spectrum_id":"CCMSLIB00000855387","spectrum_index":5397},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381246-01_C20H30O5_2-Cyclopentene-1-octanoic acid, 1-(acetyloxy)-4-oxo-5-[(2Z)-2-penten-1-yl]-","exact_mass":350.209,"inchikey":"ASFSFFDVAZBZON-YWEYNIOJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.201447,"smiles":"CC\\C=C/CC1C(=O)\\C=C/C1(CCCCCCCC(O)=O)OC(C)=O","spectrum_id":"CCMSLIB00000855389","spectrum_index":5398},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381251-01_C27H36O6_Benzoic acid, 4-hydroxy-, 1,2,3,3a,4,5,8,8a-octahydro-3-hydroxy-6,8a-dimethyl-3-(1-methylethyl)-8-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-4-azulenyl ester","exact_mass":456.251,"inchikey":"NUXKLJINNAOFAH-CNHKJKLMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.251465,"smiles":"C/C=C(C)/C(=O)OC1\\C=C(C)/CC(OC(=O)C2=CC=C(O)C=C2)C3C1(C)CCC3(O)C(C)C","spectrum_id":"CCMSLIB00000855391","spectrum_index":5399},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169917-02_C16H16O6_4-Hydroxy-2',6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione","exact_mass":304.095,"inchikey":"RFVMVHYMAGKNDK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.103546,"smiles":"COC1=CC2=C(C(=C1)O)C(=O)C3(O2)C(C)CC(=O)/C=C3/OC","spectrum_id":"CCMSLIB00000855394","spectrum_index":5400},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169917-02_C16H16O6_4-Hydroxy-2',6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione","exact_mass":304.095,"inchikey":"RFVMVHYMAGKNDK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.085358,"smiles":"COC1=CC2=C(C(=C1)O)C(=O)C3(O2)C(C)CC(=O)/C=C3/OC","spectrum_id":"CCMSLIB00000855396","spectrum_index":5401},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179755-02_C15H16O6_(2S,3S,4aS)-2,3,7-Trihydroxy-9-methoxy-4a-methyl-2,3,4,4a-tetrahydro-6H-benzo[c]chromen-6-one","exact_mass":292.095,"inchikey":"MMHTXEATDNFMMY-WBIUFABUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.103668,"smiles":"COC1=CC2=C(C(=C1)O)C(=O)O[C@@]\\3(C)C[C@H](O)[C@@H](O)\\C=C23","spectrum_id":"CCMSLIB00000855398","spectrum_index":5402},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179755-02_C15H16O6_(2S,3S,4aS)-2,3,7-Trihydroxy-9-methoxy-4a-methyl-2,3,4,4a-tetrahydro-6H-benzo[c]chromen-6-one","exact_mass":292.095,"inchikey":"MMHTXEATDNFMMY-WBIUFABUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.092896,"smiles":"COC1=CC2=C(C(=C1)O)C(=O)O[C@@]\\3(C)C[C@H](O)[C@@H](O)\\C=C23","spectrum_id":"CCMSLIB00000855400","spectrum_index":5403},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380761-01_C11H14N4O5_6H-Purin-6-one, 1,9-dihydro-9-(3-O-methylpentofuranosyl)-","exact_mass":282.096,"inchikey":"ABXDBVMGRKZFRC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.105286,"smiles":"COC1C(O)C(OC1CO)[N]2C=NC3=C2\\N=C/NC3=O","spectrum_id":"CCMSLIB00000855402","spectrum_index":5404},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380762-01_C25H34O7_7-Formyl-4,7'-dihydroxy-6-(hydroxymethyl)-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalen]-6'-yl acetate","exact_mass":446.23,"inchikey":"ZTVXBYHCHQJAQR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.239746,"smiles":"CC1CCC2C(C)(C)C(OC(C)=O)C(O)CC2(C)C13CC4=C(O3)C(=C(CO)C=C4O)C=O","spectrum_id":"CCMSLIB00000855404","spectrum_index":5405},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380762-01_C25H34O7_7-Formyl-4,7'-dihydroxy-6-(hydroxymethyl)-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalen]-6'-yl acetate","exact_mass":446.23,"inchikey":"ZTVXBYHCHQJAQR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.229034,"smiles":"CC1CCC2C(C)(C)C(OC(C)=O)C(O)CC2(C)C13CC4=C(O3)C(=C(CO)C=C4O)C=O","spectrum_id":"CCMSLIB00000855406","spectrum_index":5406},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380763-01_C48H76O19_(3beta,5xi,9xi,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranuronosyl-(1->2)-beta-D-glucopyranosiduronic acid","exact_mass":956.498,"inchikey":"SZHUMUJGHFQABW-IOGYURKRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":957.504334,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7[C@@H]8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@@]67C)[C@@]4(C)CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855408","spectrum_index":5407},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380763-01_C48H76O19_(3beta,5xi,9xi,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranuronosyl-(1->2)-beta-D-glucopyranosiduronic acid","exact_mass":956.498,"inchikey":"SZHUMUJGHFQABW-IOGYURKRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":979.484253,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7[C@@H]8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@@]67C)[C@@]4(C)CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855410","spectrum_index":5408},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380764-01_C23H32O5_2,4-Dihydroxy-6-(hydroxymethyl)-3-[(6-hydroxy-1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl)methyl]benzaldehyde","exact_mass":388.225,"inchikey":"KCAICXOYUFVURO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.234192,"smiles":"CC1CCC2\\C(=C/CC(O)C2(C)C)C1(C)CC3=C(O)C(=C(CO)C=C3O)C=O","spectrum_id":"CCMSLIB00000855412","spectrum_index":5409},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380764-01_C23H32O5_2,4-Dihydroxy-6-(hydroxymethyl)-3-[(6-hydroxy-1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl)methyl]benzaldehyde","exact_mass":388.225,"inchikey":"KCAICXOYUFVURO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.223633,"smiles":"CC1CCC2\\C(=C/CC(O)C2(C)C)C1(C)CC3=C(O)C(=C(CO)C=C3O)C=O","spectrum_id":"CCMSLIB00000855414","spectrum_index":5410},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380765-01_C53H88O25_","exact_mass":1124.56,"inchikey":"IVGOREXWBRGMRG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1142.590698,"smiles":"COC1CC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4C/C=C3/C2)C(C)O)OC(C)C1OC6OC(C)C(OC7OC(COC8OC(COC9OC(CO)C(O)C(O)C9O)C(O)C(O)C8O)C(O)C(O)C7O)C(OC)C6O","spectrum_id":"CCMSLIB00000855416","spectrum_index":5411},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380765-01_C53H88O25_","exact_mass":1124.56,"inchikey":"IVGOREXWBRGMRG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1147.547241,"smiles":"COC1CC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4C/C=C3/C2)C(C)O)OC(C)C1OC6OC(C)C(OC7OC(COC8OC(COC9OC(CO)C(O)C(O)C9O)C(O)C(O)C8O)C(O)C(O)C7O)C(OC)C6O","spectrum_id":"CCMSLIB00000855418","spectrum_index":5412},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380768-01_C21H24ClNO4_5-Chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-2,6,7,8-tetrahydro-7-isoquinolinyl acetate","exact_mass":389.139,"inchikey":"DOUKEKLEUAGITQ-NJHPPEEMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":390.148865,"smiles":"CCC(C)/C=C(C)/C=C/C1=C/C/2=C(Cl)/C(=O)C(C)(OC(C)=O)C(=O)C2=C\\N1","spectrum_id":"CCMSLIB00000855420","spectrum_index":5413},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00024683-03_C15H20O3_(1aR,4E,7aS,10aS,10bS)-1a,5-Dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one","exact_mass":248.141,"inchikey":"KTEXNACQROZXEV-SLXBATTESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.150421,"smiles":"CC/1=C\\CC[C@@]2(C)O[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1","spectrum_id":"CCMSLIB00000855422","spectrum_index":5414},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00024683-03_C15H20O3_(1aR,4E,7aS,10aS,10bS)-1a,5-Dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one","exact_mass":248.141,"inchikey":"KTEXNACQROZXEV-SLXBATTESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.139481,"smiles":"CC/1=C\\CC[C@@]2(C)O[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1","spectrum_id":"CCMSLIB00000855424","spectrum_index":5415},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00024683-03_C15H20O3_(1aR,4E,7aS,10aS,10bS)-1a,5-Dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one","exact_mass":248.141,"inchikey":"KTEXNACQROZXEV-SLXBATTESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":266.177185,"smiles":"CC/1=C\\CC[C@@]2(C)O[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1","spectrum_id":"CCMSLIB00000855426","spectrum_index":5416},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00024683-03_C15H20O3_(1aR,4E,7aS,10aS,10bS)-1a,5-Dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one","exact_mass":248.141,"inchikey":"KTEXNACQROZXEV-SLXBATTESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.132538,"smiles":"CC/1=C\\CC[C@@]2(C)O[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1","spectrum_id":"CCMSLIB00000855428","spectrum_index":5417},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179899-02_C15H22O2_1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, (3S,3aR,6R,8aS)-","exact_mass":234.162,"inchikey":"IJGMVUXEZUEDJR-RTWAVKEYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.170822,"smiles":"CC1(C)[C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)C(O)=O","spectrum_id":"CCMSLIB00000855430","spectrum_index":5418},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179899-02_C15H22O2_1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, (3S,3aR,6R,8aS)-","exact_mass":234.162,"inchikey":"IJGMVUXEZUEDJR-RTWAVKEYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":217.16008,"smiles":"CC1(C)[C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)C(O)=O","spectrum_id":"CCMSLIB00000855432","spectrum_index":5419},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347515-02_C20H32O4_2-Furanacetic acid, 5-ethenyltetrahydro-alpha,5-dimethyl-, (2Z)-6-hydroxy-2,6-dimethyl-2,7-octadien-1-yl ester","exact_mass":336.23,"inchikey":"KQTYDMMVMJEHAN-GDNBJRDFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.229248,"smiles":"CC(C1CCC(C)(O1)C=C)C(=O)OC\\C(C)=C/CCC(C)(O)C=C","spectrum_id":"CCMSLIB00000855434","spectrum_index":5420},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347515-02_C20H32O4_2-Furanacetic acid, 5-ethenyltetrahydro-alpha,5-dimethyl-, (2Z)-6-hydroxy-2,6-dimethyl-2,7-octadien-1-yl ester","exact_mass":336.23,"inchikey":"KQTYDMMVMJEHAN-GDNBJRDFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":354.266602,"smiles":"CC(C1CCC(C)(O1)C=C)C(=O)OC\\C(C)=C/CCC(C)(O)C=C","spectrum_id":"CCMSLIB00000855436","spectrum_index":5421},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347515-02_C20H32O4_2-Furanacetic acid, 5-ethenyltetrahydro-alpha,5-dimethyl-, (2Z)-6-hydroxy-2,6-dimethyl-2,7-octadien-1-yl ester","exact_mass":336.23,"inchikey":"KQTYDMMVMJEHAN-GDNBJRDFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.22229,"smiles":"CC(C1CCC(C)(O1)C=C)C(=O)OC\\C(C)=C/CCC(C)(O)C=C","spectrum_id":"CCMSLIB00000855438","spectrum_index":5422},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385911-01_C15H24O2_2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-6-hydroxy-3,8-dimethyl-5-(1-methylethyl)-, (4aR,5S,6S,8R,8aS)-","exact_mass":236.178,"inchikey":"KLDSZMWMGCWFKH-GIEZYDSUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.186447,"smiles":"CC(C)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]2CC(=O)\\C(=C/[C@H]12)C","spectrum_id":"CCMSLIB00000855440","spectrum_index":5423},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385911-01_C15H24O2_2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-6-hydroxy-3,8-dimethyl-5-(1-methylethyl)-, (4aR,5S,6S,8R,8aS)-","exact_mass":236.178,"inchikey":"KLDSZMWMGCWFKH-GIEZYDSUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":219.175766,"smiles":"CC(C)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]2CC(=O)\\C(=C/[C@H]12)C","spectrum_id":"CCMSLIB00000855442","spectrum_index":5424},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385912-01_C15H22O3_3-Cycloheptene-1-acetic acid, 5-methyl-alpha-methylene-4-(3-oxobutyl)-, (1R,5S)-","exact_mass":250.157,"inchikey":"NIQIMYXBAQAIAT-HZMBPMFUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.165848,"smiles":"C[C@H]\\1CC[C@@H](C\\C=C1CCC(C)=O)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000855444","spectrum_index":5425},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385912-01_C15H22O3_3-Cycloheptene-1-acetic acid, 5-methyl-alpha-methylene-4-(3-oxobutyl)-, (1R,5S)-","exact_mass":250.157,"inchikey":"NIQIMYXBAQAIAT-HZMBPMFUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.15509,"smiles":"C[C@H]\\1CC[C@@H](C\\C=C1CCC(C)=O)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000855446","spectrum_index":5426},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385912-01_C15H22O3_3-Cycloheptene-1-acetic acid, 5-methyl-alpha-methylene-4-(3-oxobutyl)-, (1R,5S)-","exact_mass":250.157,"inchikey":"NIQIMYXBAQAIAT-HZMBPMFUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.148132,"smiles":"C[C@H]\\1CC[C@@H](C\\C=C1CCC(C)=O)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000855448","spectrum_index":5427},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385915-01_C15H18O3_(1aS,10aR)-1a,5,9-Trimethyl-1a,3,6,10a-tetrahydrooxireno[4,5]cyclodeca[1,2-b]furan-10(2H)-one","exact_mass":246.126,"inchikey":"CVIVANCKIBYAOP-WSQYCBKMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.13443,"smiles":"CC/1=C\\CC[C@]2(C)O[C@H]2C(=O)C3=C(C1)OC=C3C","spectrum_id":"CCMSLIB00000855449","spectrum_index":5428},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385915-01_C15H18O3_(1aS,10aR)-1a,5,9-Trimethyl-1a,3,6,10a-tetrahydrooxireno[4,5]cyclodeca[1,2-b]furan-10(2H)-one","exact_mass":246.126,"inchikey":"CVIVANCKIBYAOP-WSQYCBKMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.123779,"smiles":"CC/1=C\\CC[C@]2(C)O[C@H]2C(=O)C3=C(C1)OC=C3C","spectrum_id":"CCMSLIB00000855452","spectrum_index":5429},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385915-01_C15H18O3_(1aS,10aR)-1a,5,9-Trimethyl-1a,3,6,10a-tetrahydrooxireno[4,5]cyclodeca[1,2-b]furan-10(2H)-one","exact_mass":246.126,"inchikey":"CVIVANCKIBYAOP-WSQYCBKMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.116913,"smiles":"CC/1=C\\CC[C@]2(C)O[C@H]2C(=O)C3=C(C1)OC=C3C","spectrum_id":"CCMSLIB00000855453","spectrum_index":5430},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385918-01_C18H24O5_","exact_mass":320.162,"inchikey":"PAZOLAPVCOLMKJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.172699,"smiles":"COC12CC3(C)CCC(OC(C)=O)C(=C)C3C\\C1=C(C)\\C(=O)O2","spectrum_id":"CCMSLIB00000855455","spectrum_index":5431},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385919-01_C20H34O_2-Penten-1-ol, 5-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-3-methyl-, (2E)-","exact_mass":290.261,"inchikey":"NERNKRPBSOBEHC-PTNGSMBKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.270752,"smiles":"CC(/CCC1C(=C)CCC2C(C)(C)CCCC12C)=C/CO","spectrum_id":"CCMSLIB00000855458","spectrum_index":5432},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385919-01_C20H34O_2-Penten-1-ol, 5-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-3-methyl-, (2E)-","exact_mass":290.261,"inchikey":"NERNKRPBSOBEHC-PTNGSMBKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.259857,"smiles":"CC(/CCC1C(=C)CCC2C(C)(C)CCCC12C)=C/CO","spectrum_id":"CCMSLIB00000855460","spectrum_index":5433},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385919-01_C20H34O_2-Penten-1-ol, 5-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-3-methyl-, (2E)-","exact_mass":290.261,"inchikey":"NERNKRPBSOBEHC-PTNGSMBKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":332.297607,"smiles":"CC(/CCC1C(=C)CCC2C(C)(C)CCCC12C)=C/CO","spectrum_id":"CCMSLIB00000855462","spectrum_index":5434},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380916-01_C16H27NO10_","exact_mass":393.163,"inchikey":"PMWFORPJUWEXBG-BHQATCKTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.167206,"smiles":"CC(C)C(O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C#N","spectrum_id":"CCMSLIB00000855463","spectrum_index":5435},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380916-01_C16H27NO10_","exact_mass":393.163,"inchikey":"PMWFORPJUWEXBG-BHQATCKTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":416.148743,"smiles":"CC(C)C(O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C#N","spectrum_id":"CCMSLIB00000855466","spectrum_index":5436},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380918-01_C25H28O12_","exact_mass":520.158,"inchikey":"QPNFBUARICHXGG-DAXSKMNVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.149231,"smiles":"OCC1OC(OC2O\\C=C(/C3CC(O)C(=C)C23)C(O)=O)C(OC(=O)\\C=C/C4=CC=C(O)C=C4)C(O)C1O","spectrum_id":"CCMSLIB00000855468","spectrum_index":5437},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169016-02_C15H22O3_Naphtho[1,2-b]furan-2(3H)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-3,5a,9-trimethyl-","exact_mass":250.157,"inchikey":"DGIMMEWTLSCNGO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":292.192841,"smiles":"CC1C2CCC3(C)C(O)C\\C=C(\\C)C3C2OC1=O","spectrum_id":"CCMSLIB00000855470","spectrum_index":5438},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385866-02_C11H19NO6_3-(beta-D-Glucopyranosyloxy)-2-methylbutanenitrile","exact_mass":261.121,"inchikey":"LHNFRFAOVVPESM-IQACCLBBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.157349,"smiles":"CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C#N","spectrum_id":"CCMSLIB00000855472","spectrum_index":5439},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385866-02_C11H19NO6_3-(beta-D-Glucopyranosyloxy)-2-methylbutanenitrile","exact_mass":261.121,"inchikey":"LHNFRFAOVVPESM-IQACCLBBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.110413,"smiles":"CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C#N","spectrum_id":"CCMSLIB00000855474","spectrum_index":5440},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385946-01_C17H22O4_(6E,10E)-6,10-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl acetate","exact_mass":290.152,"inchikey":"UPNVKIZABMRHNR-BBYAVRKXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.161285,"smiles":"CC(=O)OC1C\\C(=C\\CC\\C(=C\\C2OC(=O)C(=C)C12)C)C","spectrum_id":"CCMSLIB00000855476","spectrum_index":5441},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385947-01_C14H17NO9_(2S)-4-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside","exact_mass":343.09,"inchikey":"OUSLYTBGQGKTME-PUOUXSMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.100525,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2OC3=CC=CC=C3N(O)C2=O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855478","spectrum_index":5442},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385947-01_C14H17NO9_(2S)-4-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside","exact_mass":343.09,"inchikey":"OUSLYTBGQGKTME-PUOUXSMHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.08252,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2OC3=CC=CC=C3N(O)C2=O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855480","spectrum_index":5443},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385948-01_C16H17NO4_6,11-Methano-6H-benzo[b]-1,3-benzodioxolo[5,6-e]azepine-8,9-diol, 5,6a,7,8,9,11-hexahydro-","exact_mass":287.116,"inchikey":"JKZMYBLUKAMPKM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.12561,"smiles":"OC1CC2N3CC(\\C2=C\\C1O)C4=CC5=C(OCO5)C=C4C3","spectrum_id":"CCMSLIB00000855482","spectrum_index":5444},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385949-01_C15H20O4_3a-Hydroxy-3,5a,9-trimethyl-3a,5,5a,6,7,9b-hexahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione","exact_mass":264.136,"inchikey":"KLPWVMFJDOIILT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.145325,"smiles":"CC1C(=O)OC2C/3=C(C)/C(=O)CCC3(C)CCC12O","spectrum_id":"CCMSLIB00000855484","spectrum_index":5445},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385949-01_C15H20O4_3a-Hydroxy-3,5a,9-trimethyl-3a,5,5a,6,7,9b-hexahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione","exact_mass":264.136,"inchikey":"KLPWVMFJDOIILT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.13446,"smiles":"CC1C(=O)OC2C/3=C(C)/C(=O)CCC3(C)CCC12O","spectrum_id":"CCMSLIB00000855485","spectrum_index":5446},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385950-01_C16H26O7_(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yl)methyl beta-D-glucopyranoside","exact_mass":330.168,"inchikey":"FOONTNRMWNJWCL-ZSABPLCXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.178162,"smiles":"CC/1=C/C(=O)CC(C)(C)C1CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000855487","spectrum_index":5447},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385950-01_C16H26O7_(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yl)methyl beta-D-glucopyranoside","exact_mass":330.168,"inchikey":"FOONTNRMWNJWCL-ZSABPLCXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.160309,"smiles":"CC/1=C/C(=O)CC(C)(C)C1CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000855489","spectrum_index":5448},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385952-01_C15H26O_1,7-Dimethyl-7-(4-methyl-3-penten-1-yl)bicyclo[2.2.1]heptan-2-ol","exact_mass":222.198,"inchikey":"SGAYOTORECIFCJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":205.196075,"smiles":"CC(C)=CCCC1(C)C2CCC1(C)C(O)C2","spectrum_id":"CCMSLIB00000855491","spectrum_index":5449},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385952-01_C15H26O_1,7-Dimethyl-7-(4-methyl-3-penten-1-yl)bicyclo[2.2.1]heptan-2-ol","exact_mass":222.198,"inchikey":"SGAYOTORECIFCJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":264.234375,"smiles":"CC(C)=CCCC1(C)C2CCC1(C)C(O)C2","spectrum_id":"CCMSLIB00000855494","spectrum_index":5450},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169685-02_C29H44O8_Stigmast-7-ene-6,26-dione, 26,28-epoxy-2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,9xi,22R,24S,25S,28R)-","exact_mass":520.304,"inchikey":"NEFYSBQJYCICOG-RJRZVDSCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.314575,"smiles":"C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]2CC[C@@]3(O)\\C4=C\\C(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)C4CC[C@]23C","spectrum_id":"CCMSLIB00000855495","spectrum_index":5451},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169685-02_C29H44O8_Stigmast-7-ene-6,26-dione, 26,28-epoxy-2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,9xi,22R,24S,25S,28R)-","exact_mass":520.304,"inchikey":"NEFYSBQJYCICOG-RJRZVDSCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.304474,"smiles":"C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]2CC[C@@]3(O)\\C4=C\\C(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)C4CC[C@]23C","spectrum_id":"CCMSLIB00000855497","spectrum_index":5452},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385288-01_C26H40O10_(1R,2R,4aS,5R,8aS)-1-(Hydroxymethyl)-5-{(2E)-2-[(4S)-4-hydroxy-2-oxodihydro-3(2H)-furanylidene]ethyl}-1,4a-dimethyl-6-methylenedecahydro-2-naphthalenyl beta-D-glucopyranoside","exact_mass":512.262,"inchikey":"ZWUABKNXVCUVCG-HHPBHMTBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":495.253693,"smiles":"C[C@@]1(CO)[C@@H](CC[C@@]2(C)[C@H](C\\C=C\\3[C@H](O)COC3=O)C(=C)CC[C@H]12)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00000855499","spectrum_index":5453},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385289-01_C20H24O5_(6beta)-11,12-Dihydroxy-6,20-epoxyabieta-8(14),9(11),12-triene-7,20-dione","exact_mass":344.162,"inchikey":"SWVDNEGGBBYXGS-UWVAXJGDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.172943,"smiles":"CC(C)C1=CC2=C(C(=C1O)O)[C@@]34CCCC(C)(C)[C@@H]3[C@H](OC4=O)C2=O","spectrum_id":"CCMSLIB00000855502","spectrum_index":5454},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta-D-glucopyranosyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-","exact_mass":386.194,"inchikey":"OSUSRWMGHUUXBY-OHWUEDFNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.204712,"smiles":"CC(=O)[CH]=[C]=[C]1C(C)(C)CC(CC1(C)O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000855504","spectrum_index":5455},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta-D-glucopyranosyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-","exact_mass":386.194,"inchikey":"OSUSRWMGHUUXBY-OHWUEDFNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.186859,"smiles":"CC(=O)[CH]=[C]=[C]1C(C)(C)CC(CC1(C)O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000855506","spectrum_index":5456},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385294-01_C28H36N2O4_6-Isoquinolinol, 1-[(3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl)methyl]-3,4-dihydro-7-methoxy-","exact_mass":464.268,"inchikey":"NCALAYAMQHIWMN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.278564,"smiles":"CCC1CN2CCC3=CC(=C(OC)C=C3C2CC1C\\C4=N\\CCC5=C4C=C(OC)C(=C5)O)OC","spectrum_id":"CCMSLIB00000855508","spectrum_index":5457},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347753-02_C19H18N4O7_9H-Purin-6-ol, 9-[1-(3-carboxyphenyl)-2,3-dideoxyheptodialdo-7,4-furanosyl]-","exact_mass":414.118,"inchikey":"VEDWXCWBMDQNCV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.12793,"smiles":"OC1C(O)C(OC1CCC(=O)C2=CC=CC(=C2)C(O)=O)[N]3C=NC4=C(O)N=CN=C34","spectrum_id":"CCMSLIB00000855509","spectrum_index":5458},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381252-01_C22H32O5_10H-Azuleno[4,5,6-cd]isobenzofuran-10-one, 9-(acetyloxy)-2,3,4,5,5a,6,7,7a,8,9,10a,10b-dodecahydro-3-hydroxy-5a,7a-dimethyl-8-(1-methylethyl)-, (3S,5aR,7aR,8R)-","exact_mass":376.225,"inchikey":"NGFGTILXQGWJEE-IDAHCIMXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.235321,"smiles":"CC(C)[C@H]1C(OC(C)=O)C(=O)C2C\\3OCC\\4=C3[C@@](C)(CC[C@@H]4O)CC[C@]12C","spectrum_id":"CCMSLIB00000855511","spectrum_index":5459},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381253-01_C22H29NO7_2H-Isoindole-2-acetic acid, 7-carboxy-1,3-dihydro-6-methoxy-5-methyl-4-[(3-methyl-2-buten-1-yl)oxy]-alpha-(1-methylpropyl)-1-oxo-","exact_mass":419.194,"inchikey":"NFHFUYXLQKSNLH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":420.205017,"smiles":"CCC(C)C(N1CC2=C(OCC=C(C)C)C(=C(OC)C(=C2C1=O)C(O)=O)C)C(O)=O","spectrum_id":"CCMSLIB00000855513","spectrum_index":5460},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381253-01_C22H29NO7_2H-Isoindole-2-acetic acid, 7-carboxy-1,3-dihydro-6-methoxy-5-methyl-4-[(3-methyl-2-buten-1-yl)oxy]-alpha-(1-methylpropyl)-1-oxo-","exact_mass":419.194,"inchikey":"NFHFUYXLQKSNLH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":442.187408,"smiles":"CCC(C)C(N1CC2=C(OCC=C(C)C)C(=C(OC)C(=C2C1=O)C(O)=O)C)C(O)=O","spectrum_id":"CCMSLIB00000855515","spectrum_index":5461},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381261-01_C22H28O4_Benzene, 1,2,3-trimethoxy-5-[2-[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]ethyl]-","exact_mass":356.199,"inchikey":"MAIBJLULESJFCV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.209137,"smiles":"COC1=CC(=CC(=C1OC)OC)CCC2=CC=C(OCC=C(C)C)C=C2","spectrum_id":"CCMSLIB00000855518","spectrum_index":5462},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381261-01_C22H28O4_Benzene, 1,2,3-trimethoxy-5-[2-[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]ethyl]-","exact_mass":356.199,"inchikey":"MAIBJLULESJFCV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.235504,"smiles":"COC1=CC(=CC(=C1OC)OC)CCC2=CC=C(OCC=C(C)C)C=C2","spectrum_id":"CCMSLIB00000855519","spectrum_index":5463},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381261-01_C22H28O4_Benzene, 1,2,3-trimethoxy-5-[2-[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]ethyl]-","exact_mass":356.199,"inchikey":"MAIBJLULESJFCV-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.19046,"smiles":"COC1=CC(=CC(=C1OC)OC)CCC2=CC=C(OCC=C(C)C)C=C2","spectrum_id":"CCMSLIB00000855521","spectrum_index":5464},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381262-01_C29H36O5_9,11a-Methano-11aH-cyclohepta[a]naphthalen-8(9H)-one, 6-(acetyloxy)-5-(benzoyloxy)-2,3,4,4a,5,6,6a,7,10,11-decahydro-1,4,4,9-tetramethyl-","exact_mass":464.256,"inchikey":"FKMMWCMRFJRLIO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.266724,"smiles":"CC(=O)OC1C(OC(=O)C2=CC=CC=C2)C3\\C(=C(C)/CCC3(C)C)C45CCC(C)(C4)C(=O)CC15","spectrum_id":"CCMSLIB00000855523","spectrum_index":5465},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381262-01_C29H36O5_9,11a-Methano-11aH-cyclohepta[a]naphthalen-8(9H)-one, 6-(acetyloxy)-5-(benzoyloxy)-2,3,4,4a,5,6,6a,7,10,11-decahydro-1,4,4,9-tetramethyl-","exact_mass":464.256,"inchikey":"FKMMWCMRFJRLIO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":482.293152,"smiles":"CC(=O)OC1C(OC(=O)C2=CC=CC=C2)C3\\C(=C(C)/CCC3(C)C)C45CCC(C)(C4)C(=O)CC15","spectrum_id":"CCMSLIB00000855525","spectrum_index":5466},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381262-01_C29H36O5_9,11a-Methano-11aH-cyclohepta[a]naphthalen-8(9H)-one, 6-(acetyloxy)-5-(benzoyloxy)-2,3,4,4a,5,6,6a,7,10,11-decahydro-1,4,4,9-tetramethyl-","exact_mass":464.256,"inchikey":"FKMMWCMRFJRLIO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.24881,"smiles":"CC(=O)OC1C(OC(=O)C2=CC=CC=C2)C3\\C(=C(C)/CCC3(C)C)C45CCC(C)(C4)C(=O)CC15","spectrum_id":"CCMSLIB00000855527","spectrum_index":5467},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381263-01_C31H40O7_3,9-Diacetoxy-2,6,6,13-tetramethyl-12-oxotetracyclo[11.2.1.0~1,10~.0~2,7~]hexadec-8-yl benzoate","exact_mass":524.277,"inchikey":"LHYCMCBENMMKGY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":525.288269,"smiles":"CC(=O)OC1CCC(C)(C)C2C(OC(=O)C3=CC=CC=C3)C(OC(C)=O)C4CC(=O)C5(C)CCC4(C5)C12C","spectrum_id":"CCMSLIB00000855529","spectrum_index":5468},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381263-01_C31H40O7_3,9-Diacetoxy-2,6,6,13-tetramethyl-12-oxotetracyclo[11.2.1.0~1,10~.0~2,7~]hexadec-8-yl benzoate","exact_mass":524.277,"inchikey":"LHYCMCBENMMKGY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":547.269959,"smiles":"CC(=O)OC1CCC(C)(C)C2C(OC(=O)C3=CC=CC=C3)C(OC(C)=O)C4CC(=O)C5(C)CCC4(C5)C12C","spectrum_id":"CCMSLIB00000855531","spectrum_index":5469},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347546-02_C19H28O3_5,9-Dimethyl-14-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-5-carboxylic acid","exact_mass":304.204,"inchikey":"PMCAXNOWFFQTHM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.213745,"smiles":"CC12CCCC(C)(C1CCC34CC(CCC23)C(=O)C4)C(O)=O","spectrum_id":"CCMSLIB00000855533","spectrum_index":5470},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347546-02_C19H28O3_5,9-Dimethyl-14-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-5-carboxylic acid","exact_mass":304.204,"inchikey":"PMCAXNOWFFQTHM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":322.240601,"smiles":"CC12CCCC(C)(C1CCC34CC(CCC23)C(=O)C4)C(O)=O","spectrum_id":"CCMSLIB00000855535","spectrum_index":5471},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347573-02_C18H25NO3_2-Heptenamide, 7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E)-","exact_mass":303.183,"inchikey":"PWLZXPUSJOUTMB-SOFGYWHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":304.193573,"smiles":"CC(C)CNC(=O)\\C=C\\CCCCC1=CC=C2OCOC2=C1","spectrum_id":"CCMSLIB00000855537","spectrum_index":5472},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347573-02_C18H25NO3_2-Heptenamide, 7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E)-","exact_mass":303.183,"inchikey":"PWLZXPUSJOUTMB-SOFGYWHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":326.175629,"smiles":"CC(C)CNC(=O)\\C=C\\CCCCC1=CC=C2OCOC2=C1","spectrum_id":"CCMSLIB00000855539","spectrum_index":5473},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385632-01_C15H20O3_Cycloprop[e]indene-1a(1H)-carboxylic acid, 2-formyl-3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aS,3aS,6aS,6bR)-","exact_mass":248.141,"inchikey":"LYCAYVFJYBYYTE-QFEPDWEUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.139404,"smiles":"CC1(C)C[C@H]2/C=C(/C=O)[C@@]3(C[C@]3(C)[C@H]2C1)C(O)=O","spectrum_id":"CCMSLIB00000855541","spectrum_index":5474},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385633-01_C15H22O4_Naphtho[1,2-c]furan-3(1H)-one, 5,5a,6,7,8,9,9a,9b-octahydro-5-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-","exact_mass":266.152,"inchikey":"ZHCNENZBEJDTHH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.161346,"smiles":"CC1(CO)CCCC2(C)C\\3COC(=O)C3=C/C(O)C12","spectrum_id":"CCMSLIB00000855543","spectrum_index":5475},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385634-01_C16H22O9_beta-D-Glucopyranoside, 2-(1,3-benzodioxol-5-yl)-3-hydroxypropyl","exact_mass":358.126,"inchikey":"YQZGDKAOATWZIG-YLHHEPAUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.118652,"smiles":"OCC(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC3=C(OCO3)C=C2","spectrum_id":"CCMSLIB00000855545","spectrum_index":5476},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385639-01_C16H24O7_","exact_mass":328.152,"inchikey":"IBNYGHYDOSWFHJ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.162323,"smiles":"COC(=O)C(=C)C1C(O)CC2(C)C(C1O)C(O)(CO)CCC2=O","spectrum_id":"CCMSLIB00000855547","spectrum_index":5477},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385641-01_C53H84O24_beta-D-Glucopyranose, O-beta-D-glucopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->6)]-1-O-[(3beta,5xi,9xi)-23-hydroxy-23,28-dioxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-","exact_mass":1104.54,"inchikey":"AQOMLMMSAVDODV-NYANRDMASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1105.537109,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]7O","spectrum_id":"CCMSLIB00000855549","spectrum_index":5478},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385641-01_C53H84O24_beta-D-Glucopyranose, O-beta-D-glucopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->6)]-1-O-[(3beta,5xi,9xi)-23-hydroxy-23,28-dioxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-","exact_mass":1104.54,"inchikey":"AQOMLMMSAVDODV-NYANRDMASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1127.518921,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]7O","spectrum_id":"CCMSLIB00000855551","spectrum_index":5479},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385643-01_C20H30O3_1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-9-hydroxy-1,4a,7-trimethyl-","exact_mass":318.219,"inchikey":"PLKOJNUQWAKPNC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.229553,"smiles":"CC/1(CCC2C(=C1)/C(O)CC3C2(C)CCCC3(C)C(O)=O)C=C","spectrum_id":"CCMSLIB00000855553","spectrum_index":5480},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385643-01_C20H30O3_1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-9-hydroxy-1,4a,7-trimethyl-","exact_mass":318.219,"inchikey":"PLKOJNUQWAKPNC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.2117,"smiles":"CC/1(CCC2C(=C1)/C(O)CC3C2(C)CCCC3(C)C(O)=O)C=C","spectrum_id":"CCMSLIB00000855555","spectrum_index":5481},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385643-01_C20H30O3_1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-9-hydroxy-1,4a,7-trimethyl-","exact_mass":318.219,"inchikey":"PLKOJNUQWAKPNC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":360.256622,"smiles":"CC/1(CCC2C(=C1)/C(O)CC3C2(C)CCCC3(C)C(O)=O)C=C","spectrum_id":"CCMSLIB00000855557","spectrum_index":5482},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179785-03_C26H32O14_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-6-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-7-methyl-, methyl ester, (1S,4aR,6S,7R,7aS)-","exact_mass":568.179,"inchikey":"NQXDDVZOWBZZHN-CRSYUQHVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":591.162903,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@]13O)OC(=O)\\C=C\\C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000855559","spectrum_index":5483},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380892-01_C26H30O12_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-1-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-, methyl ester","exact_mass":534.174,"inchikey":"IVYAOUHUAWZJDB-ORELLXTGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.176025,"smiles":"COC(=O)C/1=C/OC(O[C@@H]2O[C@H](COC(=O)\\C=C\\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)C\\4C1C\\C=C4CO","spectrum_id":"CCMSLIB00000855561","spectrum_index":5484},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380892-01_C26H30O12_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-1-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-, methyl ester","exact_mass":534.174,"inchikey":"IVYAOUHUAWZJDB-ORELLXTGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.164917,"smiles":"COC(=O)C/1=C/OC(O[C@@H]2O[C@H](COC(=O)\\C=C\\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)C\\4C1C\\C=C4CO","spectrum_id":"CCMSLIB00000855563","spectrum_index":5485},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380892-01_C26H30O12_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-1-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-, methyl ester","exact_mass":534.174,"inchikey":"IVYAOUHUAWZJDB-ORELLXTGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":557.157532,"smiles":"COC(=O)C/1=C/OC(O[C@@H]2O[C@H](COC(=O)\\C=C\\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)C\\4C1C\\C=C4CO","spectrum_id":"CCMSLIB00000855565","spectrum_index":5486},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380893-01_C16H24O7_beta-D-Glucopyranoside, 5-(hydroxymethyl)-2-(1-methylethyl)phenyl","exact_mass":328.152,"inchikey":"IILRAPUPZQMHJL-IBEHDNSVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.146484,"smiles":"CC(C)C1=CC=C(CO)C=C1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000855567","spectrum_index":5487},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380893-01_C16H24O7_beta-D-Glucopyranoside, 5-(hydroxymethyl)-2-(1-methylethyl)phenyl","exact_mass":328.152,"inchikey":"IILRAPUPZQMHJL-IBEHDNSVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.183258,"smiles":"CC(C)C1=CC=C(CO)C=C1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000855569","spectrum_index":5488},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380894-01_C22H36O5_1-Naphthalenepentanoic acid, 4-(acetyloxy)-3,4,4a,5,6,7,8,8a-octahydro-3-hydroxy-beta,2,5,5,8a-pentamethyl-","exact_mass":380.256,"inchikey":"XFCLFWWTDWKJAH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.250275,"smiles":"CC(CCC/1=C(C)/C(O)C(OC(C)=O)C2C(C)(C)CCCC12C)CC(O)=O","spectrum_id":"CCMSLIB00000855571","spectrum_index":5489},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380895-01_C27H36O12_1-Cyclohexene-1-carboxylic acid, 4-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-2,6,6-trimethyl-","exact_mass":552.221,"inchikey":"RNEQSBBQXWZUJN-QASYRCSTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.222534,"smiles":"COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@H]2O[C@@H](OC3C\\C(=C(C(O)=O)/C(C)(C)C3)C)[C@H](O)[C@@H](O)[C@@H]2O","spectrum_id":"CCMSLIB00000855573","spectrum_index":5490},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380900-01_C20H29NO12_2-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-2-phenylacetamide","exact_mass":475.169,"inchikey":"OCQMNDCGKQJTNY-BVXMNXTGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":476.172119,"smiles":"NC(=O)C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000855576","spectrum_index":5491},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380900-01_C20H29NO12_2-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-2-phenylacetamide","exact_mass":475.169,"inchikey":"OCQMNDCGKQJTNY-BVXMNXTGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":498.153381,"smiles":"NC(=O)C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000855577","spectrum_index":5492},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169139-03_C42H66O15_1-O-[(3beta,5xi,9xi,18xi)-3-(beta-D-Glucopyranuronosyloxy)-23-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":810.44,"inchikey":"RZQHWSDMLZHIRN-MCTPBCADSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":833.425903,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00000855579","spectrum_index":5493},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180793-02_C52H82O23_1-O-[(3alpha,5xi,9xi,16alpha,18xi)-3-({3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-4-O-(beta-D-xylopyranosyl)-beta-D-glucopyranuronosyl}oxy)-16-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose","exact_mass":1074.52,"inchikey":"ODRFGSPTMBKUAY-KDUIZRCMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1097.507446,"smiles":"CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]8OC[C@](O)(CO)[C@H]8O)[C@H]6O)C(O)=O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00000855581","spectrum_index":5494},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347604-02_C48H72O14_Pentopyranoside, (3beta,5xi,9xi,16beta,18xi,22beta)-22-(benzoyloxy)-16,28-dihydroxyolean-12-en-3-yl 3-O-hexopyranosyl-","exact_mass":872.492,"inchikey":"GRNFGBBADZIGAQ-AAGSZODUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":873.49646,"smiles":"CC1(C)C[C@@H](OC(=O)C2=CC=CC=C2)[C@]3(CO)[C@@H](O)C[C@]4(C)\\C(=C/CC5[C@@]6(C)CC[C@H](OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(C)(C)C6CC[C@@]45C)C3C1","spectrum_id":"CCMSLIB00000855584","spectrum_index":5495},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347604-02_C48H72O14_Pentopyranoside, (3beta,5xi,9xi,16beta,18xi,22beta)-22-(benzoyloxy)-16,28-dihydroxyolean-12-en-3-yl 3-O-hexopyranosyl-","exact_mass":872.492,"inchikey":"GRNFGBBADZIGAQ-AAGSZODUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":890.52301,"smiles":"CC1(C)C[C@@H](OC(=O)C2=CC=CC=C2)[C@]3(CO)[C@@H](O)C[C@]4(C)\\C(=C/CC5[C@@]6(C)CC[C@H](OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(C)(C)C6CC[C@@]45C)C3C1","spectrum_id":"CCMSLIB00000855585","spectrum_index":5496},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347604-02_C48H72O14_Pentopyranoside, (3beta,5xi,9xi,16beta,18xi,22beta)-22-(benzoyloxy)-16,28-dihydroxyolean-12-en-3-yl 3-O-hexopyranosyl-","exact_mass":872.492,"inchikey":"GRNFGBBADZIGAQ-AAGSZODUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":895.479126,"smiles":"CC1(C)C[C@@H](OC(=O)C2=CC=CC=C2)[C@]3(CO)[C@@H](O)C[C@]4(C)\\C(=C/CC5[C@@]6(C)CC[C@H](OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(C)(C)C6CC[C@@]45C)C3C1","spectrum_id":"CCMSLIB00000855588","spectrum_index":5497},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381338-01_C15H22O6_(2E)-3-[(3aS,4S,5R,7aS)-7a-Hydroxy-5-isopropyl-3-oxooctahydro-2-benzofuran-4-yl]-2-(hydroxymethyl)acrylic acid","exact_mass":298.142,"inchikey":"WGNDRSIKIXVFLD-HXYHFMIISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.150055,"smiles":"CC(C)[C@H]1CC[C@@]2(O)COC(=O)[C@H]2[C@@H]1/C=C(CO)/C(O)=O","spectrum_id":"CCMSLIB00000855590","spectrum_index":5498},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381338-01_C15H22O6_(2E)-3-[(3aS,4S,5R,7aS)-7a-Hydroxy-5-isopropyl-3-oxooctahydro-2-benzofuran-4-yl]-2-(hydroxymethyl)acrylic acid","exact_mass":298.142,"inchikey":"WGNDRSIKIXVFLD-HXYHFMIISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.139099,"smiles":"CC(C)[C@H]1CC[C@@]2(O)COC(=O)[C@H]2[C@@H]1/C=C(CO)/C(O)=O","spectrum_id":"CCMSLIB00000855592","spectrum_index":5499},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381338-01_C15H22O6_(2E)-3-[(3aS,4S,5R,7aS)-7a-Hydroxy-5-isopropyl-3-oxooctahydro-2-benzofuran-4-yl]-2-(hydroxymethyl)acrylic acid","exact_mass":298.142,"inchikey":"WGNDRSIKIXVFLD-HXYHFMIISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.132019,"smiles":"CC(C)[C@H]1CC[C@@]2(O)COC(=O)[C@H]2[C@@H]1/C=C(CO)/C(O)=O","spectrum_id":"CCMSLIB00000855594","spectrum_index":5500},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381348-01_C15H28O3_1,2-Cyclohexanediol, 4-[(3E)-5-hydroxy-1,5-dimethyl-3-hexen-1-yl]-1-methyl-","exact_mass":256.204,"inchikey":"ZITIZEOASAIDKB-VMPITWQZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.194244,"smiles":"CC(C\\C=C\\C(C)(C)O)C1CCC(C)(O)C(O)C1","spectrum_id":"CCMSLIB00000855596","spectrum_index":5501},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381349-01_C11H13NO5_1H-Pyrrole-3-propanoic acid, 5-acetyl-4-(carboxymethyl)-","exact_mass":239.079,"inchikey":"PFTVGDRYNNORCU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":240.087708,"smiles":"CC(=O)C1=C(CC(O)=O)C(=C[NH]1)CCC(O)=O","spectrum_id":"CCMSLIB00000855598","spectrum_index":5502},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381349-01_C11H13NO5_1H-Pyrrole-3-propanoic acid, 5-acetyl-4-(carboxymethyl)-","exact_mass":239.079,"inchikey":"PFTVGDRYNNORCU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":222.076965,"smiles":"CC(=O)C1=C(CC(O)=O)C(=C[NH]1)CCC(O)=O","spectrum_id":"CCMSLIB00000855599","spectrum_index":5503},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381353-01_C16H24O4_[4a-Formyl-5-(hydroxymethyl)-1,2-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]acetic acid","exact_mass":280.167,"inchikey":"HRISLEUGLBNLRB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.164948,"smiles":"CC1CCC\\2(C=O)C(CC\\C=C2CO)C1(C)CC(O)=O","spectrum_id":"CCMSLIB00000855601","spectrum_index":5504},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169423-02_C20H28O6_(2aS,5aR,7R,8aR)-6-Hydroxy-6-[2-(2-hydroxy-5-oxo-2,5-dihydro-3-furanyl)ethyl]-2a,5a,7-trimethyldecahydro-2H-naphtho[1,8-bc]furan-2-one","exact_mass":364.189,"inchikey":"GGIXZFAMVYMLGS-LYONFKQCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.195343,"smiles":"C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CC\\C4=C\\C(=O)OC4O","spectrum_id":"CCMSLIB00000855604","spectrum_index":5505},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169902-02_C20H28O9_2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3-(beta-D-glucopyranosyloxy)-1-methylbutyl ester, (2E)-","exact_mass":412.173,"inchikey":"RMFDCHYDPYVNFA-AKVWERCLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.180084,"smiles":"CC(CC(C)OC(=O)\\C=C\\C1=CC=C(O)C=C1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000855605","spectrum_index":5506},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384981-01_C25H42O7_","exact_mass":454.293,"inchikey":"LRKGVEXMBFESEF-ZROIWOOFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":477.280518,"smiles":"CC(/CCC1C(=C)C(CC2C(C)(C)C(O)CCC12C)OC3OCC(O)C(O)C3O)=C/CO","spectrum_id":"CCMSLIB00000855607","spectrum_index":5507},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384984-01_C22H26O13_","exact_mass":498.137,"inchikey":"NBWDKCDWCBQNQQ-BYTYBPAGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":516.170715,"smiles":"O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](OC3=CC(=C(O)C4=CC=CC=C34)C(O)=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855610","spectrum_index":5508},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384987-01_C12H15NO4_N-Acetyl-O-methyltyrosine","exact_mass":237.1,"inchikey":"HRUASHPCEMXOMR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":238.107071,"smiles":"COC1=CC=C(CC(NC(C)=O)C(O)=O)C=C1","spectrum_id":"CCMSLIB00000855612","spectrum_index":5509},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384988-01_C43H72O14_(1S,7S,8xi,9beta,17xi)-1-(beta-D-Allopyranosyloxy)-22-hydroxy-7-methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-23-yl beta-D-allopyranoside","exact_mass":812.492,"inchikey":"NFGQKKGYMKRYEF-CATOSXSLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":835.475098,"smiles":"CO[C@H]1/C=C/2C(CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C2(C)C)[C@]4(C)CC[C@]5(C)C(CC[C@@]5(C)C14)[C@H](C)C(O)C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]6O)C=C(C)C","spectrum_id":"CCMSLIB00000855614","spectrum_index":5510},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384989-01_C19H30O9_1-Cyclohexene-1-carboxylic acid, 6-[3-(beta-D-glucopyranosyloxy)butyl]-5,5-dimethyl-3-oxo-","exact_mass":402.189,"inchikey":"HFYDDOQMBZTGBR-PSHKLKHSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.194916,"smiles":"CC(CCC1\\C(=C/C(=O)CC1(C)C)C(O)=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000855615","spectrum_index":5511},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384989-01_C19H30O9_1-Cyclohexene-1-carboxylic acid, 6-[3-(beta-D-glucopyranosyloxy)butyl]-5,5-dimethyl-3-oxo-","exact_mass":402.189,"inchikey":"HFYDDOQMBZTGBR-PSHKLKHSSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.177734,"smiles":"CC(CCC1\\C(=C/C(=O)CC1(C)C)C(O)=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000855618","spectrum_index":5512},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384992-01_C20H26O6_","exact_mass":362.173,"inchikey":"PGEAMAHHYHSLDB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.179443,"smiles":"CC1CCC\\23COC(=O)C2=C/C(O)CC3C1(C)CC/C4=C/C(O)OC4=O","spectrum_id":"CCMSLIB00000855619","spectrum_index":5513},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384992-01_C20H26O6_","exact_mass":362.173,"inchikey":"PGEAMAHHYHSLDB-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":380.206848,"smiles":"CC1CCC\\23COC(=O)C2=C/C(O)CC3C1(C)CC/C4=C/C(O)OC4=O","spectrum_id":"CCMSLIB00000855621","spectrum_index":5514},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380508-01_C34H46O14_Propanoic acid, 2-methyl-, (2R,3R,3aS,4R,6S,7R,10E,12R,13aR)-2,3,4,6,13a-pentakis(acetyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2,9,9,12-tetramethyl-5-methylene-8,13-dioxo-1H-cyclopentacyclododecen-7-yl ester","exact_mass":678.289,"inchikey":"OSDVNRJELRKKGM-PNIRBJDYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":696.322754,"smiles":"CC(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C(=O)[C@H](C)\\C=C\\C(C)(C)C1=O)OC(C)=O","spectrum_id":"CCMSLIB00000855623","spectrum_index":5515},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380509-01_C35H48O14_Butanoic acid, 2-methyl-, (2R,3R,3aS,4R,6S,7R,10E,12R,13aR)-2,3,4,6,13a-pentakis(acetyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2,9,9,12-tetramethyl-5-methylene-8,13-dioxo-1H-cyclopentacyclododecen-7-yl ester","exact_mass":692.304,"inchikey":"KLSSFMQBLMDBRQ-WCSXKCKPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":710.336975,"smiles":"CCC(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C(=O)[C@H](C)\\C=C\\C(C)(C)C1=O)OC(C)=O","spectrum_id":"CCMSLIB00000855626","spectrum_index":5516},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380511-01_C26H36O11_","exact_mass":524.226,"inchikey":"CBGLETFGTARBGG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":525.23407,"smiles":"CC(CCC1\\C(=C/C(=O)CC1(C)C)C)OC2OC(COC(=O)C3=CC(=C(O)C(=C3)O)O)C(O)C(O)C2O","spectrum_id":"CCMSLIB00000855628","spectrum_index":5517},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380511-01_C26H36O11_","exact_mass":524.226,"inchikey":"CBGLETFGTARBGG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":547.216064,"smiles":"CC(CCC1\\C(=C/C(=O)CC1(C)C)C)OC2OC(COC(=O)C3=CC(=C(O)C(=C3)O)O)C(O)C(O)C2O","spectrum_id":"CCMSLIB00000855630","spectrum_index":5518},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380517-01_C25H36O8_Phenanthro[3,2-b]furan-9(1H)-one, 3,5-bis(acetyloxy)-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydro-6-hydroxy-10a-methoxy-4,4,7,11b-tetramethyl-","exact_mass":464.241,"inchikey":"MIFAMIONJNEQDA-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.249298,"smiles":"COC12CC3C(C(C)\\C1=C\\C(=O)O2)C(O)C(OC(C)=O)C4C(C)(C)C(CCC34C)OC(C)=O","spectrum_id":"CCMSLIB00000855631","spectrum_index":5519},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380519-01_C25H30O13_","exact_mass":538.169,"inchikey":"USQLNPJSDYEFJF-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":539.177185,"smiles":"CC1(O)CC(O)C\\2C1C(O\\C=C2C(O)=O)OC3OC(CO)C(O)C(O)C3OC(=O)\\C=C\\C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000855634","spectrum_index":5520},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380519-01_C25H30O13_","exact_mass":538.169,"inchikey":"USQLNPJSDYEFJF-QPJJXVBHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.158691,"smiles":"CC1(O)CC(O)C\\2C1C(O\\C=C2C(O)=O)OC3OC(CO)C(O)C(O)C3OC(=O)\\C=C\\C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000855635","spectrum_index":5521},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380520-01_C20H26O7_5-(3-Furyl)-2a',5'-dihydroxy-8b'-(hydroxymethyl)-7'-methyldodecahydrospiro[furan-3,6'-naphtho[1,8-bc]furan]-2-one","exact_mass":378.168,"inchikey":"DHPGIJYSTONUPM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.1763,"smiles":"CC1CC2OCC3(O)CCC(O)C(C14CC(OC4=O)C5=COC=C5)C23CO","spectrum_id":"CCMSLIB00000855637","spectrum_index":5522},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380520-01_C20H26O7_5-(3-Furyl)-2a',5'-dihydroxy-8b'-(hydroxymethyl)-7'-methyldodecahydrospiro[furan-3,6'-naphtho[1,8-bc]furan]-2-one","exact_mass":378.168,"inchikey":"DHPGIJYSTONUPM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.16626,"smiles":"CC1CC2OCC3(O)CCC(O)C(C14CC(OC4=O)C5=COC=C5)C23CO","spectrum_id":"CCMSLIB00000855639","spectrum_index":5523},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381323-01_C31H42O17_Methyl (2S,3Z,4S)-3-ethylidene-2-[(6-O-hexopyranosylhexopyranosyl)oxy]-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":686.242,"inchikey":"FVQYDVAAZIXQID-HNZYNQOQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":704.27832,"smiles":"COC(=O)C/1=C/O[C@@H](OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)\\C(=C/C)[C@@H]1CC(=O)OCCC4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000855641","spectrum_index":5524},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381323-01_C31H42O17_Methyl (2S,3Z,4S)-3-ethylidene-2-[(6-O-hexopyranosylhexopyranosyl)oxy]-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":686.242,"inchikey":"FVQYDVAAZIXQID-HNZYNQOQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":709.234375,"smiles":"COC(=O)C/1=C/O[C@@H](OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)\\C(=C/C)[C@@H]1CC(=O)OCCC4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000855644","spectrum_index":5525},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381326-01_C21H22O7_Benzoic acid, 2,4-dihydroxy-6-methyl-, 6,7,8,8a-tetrahydro-7-hydroxy-7-methyl-6-oxo-3-[(1E)-1-propen-1-yl]-1H-2-benzopyran-8-yl ester","exact_mass":386.137,"inchikey":"HNVJWWBKFFDQAA-SNAWJCMRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.147156,"smiles":"C\\C=C\\C1=C\\C2=C\\C(=O)C(C)(O)C(OC(=O)C3=C(C)C=C(O)C=C3O)C2CO1","spectrum_id":"CCMSLIB00000855645","spectrum_index":5526},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381326-01_C21H22O7_Benzoic acid, 2,4-dihydroxy-6-methyl-, 6,7,8,8a-tetrahydro-7-hydroxy-7-methyl-6-oxo-3-[(1E)-1-propen-1-yl]-1H-2-benzopyran-8-yl ester","exact_mass":386.137,"inchikey":"HNVJWWBKFFDQAA-SNAWJCMRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.127258,"smiles":"C\\C=C\\C1=C\\C2=C\\C(=O)C(C)(O)C(OC(=O)C3=C(C)C=C(O)C=C3O)C2CO1","spectrum_id":"CCMSLIB00000855647","spectrum_index":5527},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381327-01_C21H28O6_2H,11H-Naphtho[2,1-b]pyrano[3,2-e]pyran-9-carboxylic acid, 1,3,4,4a,5,6,6a,12,12a,12b-decahydro-3-hydroxy-4,4,6a,12b-tetramethyl-11-oxo-","exact_mass":376.189,"inchikey":"QKCAUXREKNGLHY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.198975,"smiles":"CC1(C)C(O)CCC2(C)C1CCC3(C)O\\C4=C(/CC23)C(=O)\\C=C(/O4)C(O)=O","spectrum_id":"CCMSLIB00000855649","spectrum_index":5528},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381328-01_C15H20O6_4-Hydroxy-4-(hydroxymethyl)-6,6-dimethyl-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylic acid","exact_mass":296.126,"inchikey":"JKCIUIFXYRQALX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.135529,"smiles":"CC1(C)CC2\\C=C(/C3COC(=O)C(O)(CO)C23C1)C(O)=O","spectrum_id":"CCMSLIB00000855652","spectrum_index":5529},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381329-01_C15H18O4_4-Methoxy-5-methyl-6-[(3-methyl-2-buten-1-yl)oxy]-2-benzofuran-1(3H)-one","exact_mass":262.121,"inchikey":"BGCNHXQQGSIHRP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.130005,"smiles":"COC1=C2COC(=O)C2=CC(=C1C)OCC=C(C)C","spectrum_id":"CCMSLIB00000855653","spectrum_index":5530},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169715-02_C20H30O2_Abieta-8(14),9(11),12-triene-7,18-diol","exact_mass":302.225,"inchikey":"PORHOKHIMOFMMH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.233887,"smiles":"CC(C)C1=CC2=C(C=C1)C3(C)CCCC(C)(CO)C3CC2O","spectrum_id":"CCMSLIB00000855657","spectrum_index":5531},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169715-02_C20H30O2_Abieta-8(14),9(11),12-triene-7,18-diol","exact_mass":302.225,"inchikey":"PORHOKHIMOFMMH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.22348,"smiles":"CC(C)C1=CC2=C(C=C1)C3(C)CCCC(C)(CO)C3CC2O","spectrum_id":"CCMSLIB00000855659","spectrum_index":5532},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169715-02_C20H30O2_Abieta-8(14),9(11),12-triene-7,18-diol","exact_mass":302.225,"inchikey":"PORHOKHIMOFMMH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.216705,"smiles":"CC(C)C1=CC2=C(C=C1)C3(C)CCCC(C)(CO)C3CC2O","spectrum_id":"CCMSLIB00000855662","spectrum_index":5533},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169715-02_C20H30O2_Abieta-8(14),9(11),12-triene-7,18-diol","exact_mass":302.225,"inchikey":"PORHOKHIMOFMMH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.260986,"smiles":"CC(C)C1=CC2=C(C=C1)C3(C)CCCC(C)(CO)C3CC2O","spectrum_id":"CCMSLIB00000855664","spectrum_index":5534},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385982-01_C27H30N2O10_","exact_mass":542.19,"inchikey":"YUCVPZILWXKQCX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.200195,"smiles":"OCC1OC(OC2O\\C=C3/C(CC4N(C(CC5=C4[NH]C6=C5C=CC=C6)C(O)=O)C3=O)C2C=C)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000855665","spectrum_index":5535},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385982-01_C27H30N2O10_","exact_mass":542.19,"inchikey":"YUCVPZILWXKQCX-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.181152,"smiles":"OCC1OC(OC2O\\C=C3/C(CC4N(C(CC5=C4[NH]C6=C5C=CC=C6)C(O)=O)C3=O)C2C=C)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000855668","spectrum_index":5536},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385983-01_C17H22O9_2,6-Dimethoxy-4-[(1E)-3-oxo-1-propen-1-yl]phenyl beta-D-glucopyranoside","exact_mass":370.126,"inchikey":"OYTCTPHTVUEGCL-GCPOEHJPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.118378,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=CC(=C1)\\C=C\\C=O)OC","spectrum_id":"CCMSLIB00000855669","spectrum_index":5537},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385986-01_C23H30O11_Hexopyranoside, 3-hydroxy-1,2-bis(4-hydroxy-3-methoxyphenyl)propyl","exact_mass":482.179,"inchikey":"COCNEZCGILVYSK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":505.17099,"smiles":"COC1=C(O)C=CC(=C1)C(CO)C(OC2OC(CO)C(O)C(O)C2O)C3=CC(=C(O)C=C3)OC","spectrum_id":"CCMSLIB00000855672","spectrum_index":5538},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385992-01_C21H29NO_1-Methyl-2-[(6Z)-6-undecen-1-yl]-4(1H)-quinolinone","exact_mass":311.225,"inchikey":"ILAQTUNYLVMXNW-SREVYHEPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":312.234711,"smiles":"CCCC\\C=C/CCCCCC/1=C/C(=O)C2=CC=CC=C2N1C","spectrum_id":"CCMSLIB00000855673","spectrum_index":5539},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385992-01_C21H29NO_1-Methyl-2-[(6Z)-6-undecen-1-yl]-4(1H)-quinolinone","exact_mass":311.225,"inchikey":"ILAQTUNYLVMXNW-SREVYHEPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":334.216339,"smiles":"CCCC\\C=C/CCCCCC/1=C/C(=O)C2=CC=CC=C2N1C","spectrum_id":"CCMSLIB00000855675","spectrum_index":5540},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386112-01_C32H40O17_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-1-[[6-O-[6-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-, methyl ester","exact_mass":696.227,"inchikey":"QIWWLKDHHMGRQL-FTCVBOLUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":697.234985,"smiles":"COC(=O)C/1=C/OC(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](COC(=O)\\C=C/C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C\\5C1C\\C=C5CO","spectrum_id":"CCMSLIB00000855678","spectrum_index":5541},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386112-01_C32H40O17_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-1-[[6-O-[6-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-, methyl ester","exact_mass":696.227,"inchikey":"QIWWLKDHHMGRQL-FTCVBOLUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":719.217834,"smiles":"COC(=O)C/1=C/OC(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](COC(=O)\\C=C/C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C\\5C1C\\C=C5CO","spectrum_id":"CCMSLIB00000855679","spectrum_index":5542},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168912-02_C42H66O17_Card-20(22)-enolide, 3-[[O-hexopyranosyl-(1->6)-O-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy]-14-hydroxy-, (3beta,8xi,9xi,14xi,17xi)-","exact_mass":842.43,"inchikey":"ITKDSJDYFJAVTJ-BMRHGRNRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":860.462952,"smiles":"COC1CC(OC(C)C1OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)O[C@H]4CC[C@@]5(C)C(CCC6C5CC[C@]7(C)C(CCC67O)\\C8=C\\C(=O)OC8)C4","spectrum_id":"CCMSLIB00000855681","spectrum_index":5543},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168912-02_C42H66O17_Card-20(22)-enolide, 3-[[O-hexopyranosyl-(1->6)-O-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy]-14-hydroxy-, (3beta,8xi,9xi,14xi,17xi)-","exact_mass":842.43,"inchikey":"ITKDSJDYFJAVTJ-BMRHGRNRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":865.419067,"smiles":"COC1CC(OC(C)C1OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)O[C@H]4CC[C@@]5(C)C(CCC6C5CC[C@]7(C)C(CCC67O)\\C8=C\\C(=O)OC8)C4","spectrum_id":"CCMSLIB00000855684","spectrum_index":5544},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179704-04_C15H24O3_2-Naphthaleneacetic acid, decahydro-8-hydroxy-4a,8-dimethyl-alpha-methylene-","exact_mass":252.173,"inchikey":"FXKCXGBBUBCRPU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.170731,"smiles":"CC1(O)CCCC2(C)CCC(CC12)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000855685","spectrum_index":5545},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179704-04_C15H24O3_2-Naphthaleneacetic acid, decahydro-8-hydroxy-4a,8-dimethyl-alpha-methylene-","exact_mass":252.173,"inchikey":"FXKCXGBBUBCRPU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.163635,"smiles":"CC1(O)CCCC2(C)CCC(CC12)C(=C)C(O)=O","spectrum_id":"CCMSLIB00000855688","spectrum_index":5546},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347423-03_C35H54O14_Card-20(22)-enolide, 3-[(2-O-hexopyranosylhexopyranosyl)oxy]-14-hydroxy-, (3beta,5alpha,9xi)-","exact_mass":698.351,"inchikey":"RIPMDUQTRRLJTE-FHSBOVABSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":699.360718,"smiles":"C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3C2CC[C@]4(C)[C@H](CC[C@]34O)\\C5=C\\C(=O)OC5)OC6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000855690","spectrum_index":5547},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347423-03_C35H54O14_Card-20(22)-enolide, 3-[(2-O-hexopyranosylhexopyranosyl)oxy]-14-hydroxy-, (3beta,5alpha,9xi)-","exact_mass":698.351,"inchikey":"RIPMDUQTRRLJTE-FHSBOVABSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":721.34198,"smiles":"C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3C2CC[C@]4(C)[C@H](CC[C@]34O)\\C5=C\\C(=O)OC5)OC6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000855692","spectrum_index":5548},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386027-01_C27H42O3_Spirost-5-en-3-ol, (3beta,25R)-","exact_mass":414.313,"inchikey":"WQLVFSAGQJTQCK-VKROHFNGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.3237,"smiles":"C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5C\\C=C/6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C","spectrum_id":"CCMSLIB00000855694","spectrum_index":5549},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386027-01_C27H42O3_Spirost-5-en-3-ol, (3beta,25R)-","exact_mass":414.313,"inchikey":"WQLVFSAGQJTQCK-VKROHFNGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.31311,"smiles":"C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5C\\C=C/6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C","spectrum_id":"CCMSLIB00000855696","spectrum_index":5550},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386029-01_C14H20O8_2-Hydroxy-4-(2-hydroxyethyl)phenyl beta-D-glucopyranoside","exact_mass":316.116,"inchikey":"JVOQYXVFJHETKK-RKQHYHRCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.126221,"smiles":"OCCC1=CC(=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1)O","spectrum_id":"CCMSLIB00000855697","spectrum_index":5551},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386029-01_C14H20O8_2-Hydroxy-4-(2-hydroxyethyl)phenyl beta-D-glucopyranoside","exact_mass":316.116,"inchikey":"JVOQYXVFJHETKK-RKQHYHRCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":334.152344,"smiles":"OCCC1=CC(=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1)O","spectrum_id":"CCMSLIB00000855700","spectrum_index":5552},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386029-01_C14H20O8_2-Hydroxy-4-(2-hydroxyethyl)phenyl beta-D-glucopyranoside","exact_mass":316.116,"inchikey":"JVOQYXVFJHETKK-RKQHYHRCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.10788,"smiles":"OCCC1=CC(=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1)O","spectrum_id":"CCMSLIB00000855701","spectrum_index":5553},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386030-01_C15H14O3_3-[(E)-2-(3-Hydroxyphenyl)vinyl]-5-methoxyphenol","exact_mass":242.094,"inchikey":"VANIIUGEHGLNHB-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":243.103378,"smiles":"COC1=CC(=CC(=C1)O)\\C=C\\C2=CC=CC(=C2)O","spectrum_id":"CCMSLIB00000855703","spectrum_index":5554},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386030-01_C15H14O3_3-[(E)-2-(3-Hydroxyphenyl)vinyl]-5-methoxyphenol","exact_mass":242.094,"inchikey":"VANIIUGEHGLNHB-AATRIKPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.130066,"smiles":"COC1=CC(=CC(=C1)O)\\C=C\\C2=CC=CC(=C2)O","spectrum_id":"CCMSLIB00000855706","spectrum_index":5555},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386033-01_C24H38O12_3-Buten-2-one, 4-[4-hydroxy-2,2,6-trimethyl-6-[[6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-beta-D-glucopyranosyl]oxy]cyclohexylidene]-","exact_mass":518.236,"inchikey":"BTXSAHUETCBEGY-MJWMZTCFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.246521,"smiles":"CC(=O)[CH]=[C]=[C]1C(C)(C)CC(O)CC1(C)O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000855707","spectrum_index":5556},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386033-01_C24H38O12_3-Buten-2-one, 4-[4-hydroxy-2,2,6-trimethyl-6-[[6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-beta-D-glucopyranosyl]oxy]cyclohexylidene]-","exact_mass":518.236,"inchikey":"BTXSAHUETCBEGY-MJWMZTCFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":541.228333,"smiles":"CC(=O)[CH]=[C]=[C]1C(C)(C)CC(O)CC1(C)O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00000855709","spectrum_index":5557},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169011-03_C23H31NO4_Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-6(3H)-one, 3',4',4'a,5',6',7,7',8,8',8'a-decahydro-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-, (2R,2'R,6'R,8a'S)-","exact_mass":385.225,"inchikey":"ZSVLMDBFFSSVAK-WJYWFEJASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":386.234039,"smiles":"C[C@@H]1CCC2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]13CC4=C(O)C=C5C(=O)NCC5=C4O3","spectrum_id":"CCMSLIB00000855712","spectrum_index":5558},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169052-03_C23H26O5_6H-Furo[2,3-h]-2-benzopyran-6,8(6aH)-dione, 9-acetyl-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-9,9a-dihydro-6a-methyl-, (6aR,9R,9aR)-","exact_mass":382.178,"inchikey":"GAIVGINVGXHEIA-ZAAJWPAISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.186676,"smiles":"CC[C@H](C)\\C=C(C)\\C=C\\C1=C\\C\\2=C\\C(=O)[C@]3(C)OC(=O)[C@H]([C@@H]3C2=C/O1)C(C)=O","spectrum_id":"CCMSLIB00000855714","spectrum_index":5559},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169052-03_C23H26O5_6H-Furo[2,3-h]-2-benzopyran-6,8(6aH)-dione, 9-acetyl-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-9,9a-dihydro-6a-methyl-, (6aR,9R,9aR)-","exact_mass":382.178,"inchikey":"GAIVGINVGXHEIA-ZAAJWPAISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.169098,"smiles":"CC[C@H](C)\\C=C(C)\\C=C\\C1=C\\C\\2=C\\C(=O)[C@]3(C)OC(=O)[C@H]([C@@H]3C2=C/O1)C(C)=O","spectrum_id":"CCMSLIB00000855715","spectrum_index":5560},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169298-03_C24H38O6_7-{2,6-Dimethyl-8-[(2-methylbutanoyl)oxy]-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}-3,5-dihydroxyheptanoic acid","exact_mass":422.267,"inchikey":"QLJODMDSTUBWDW-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.264435,"smiles":"CCC(C)C(=O)OC1CC(C)\\C=C2\\C=C/C(C)C(CCC(O)CC(O)CC(O)=O)C12","spectrum_id":"CCMSLIB00000855717","spectrum_index":5561},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169912-03_C22H25NO5_(3R,4R)-4,5-Dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-3,4-dihydro-2(1H)-quinolinone","exact_mass":383.173,"inchikey":"ZRZQXSGEIJXJEO-RBBKRZOGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.17099,"smiles":"CO[C@H]1C(=O)NC2=C(C(=C(CC=C(C)C)C=C2)O)[C@]1(O)C3=CC=C(OC)C=C3","spectrum_id":"CCMSLIB00000855720","spectrum_index":5562},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347620-02_C22H34O4_7-Oxabicyclo[4.1.0]hept-3-ene-2,5-diol, 4-(hydroxymethyl)-1-[(1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)methyl]-","exact_mass":362.246,"inchikey":"VBZYLQJSPMDPOO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.254272,"smiles":"C\\C1=C\\CC2C(C)(C)CCCC2(C)C1CC34OC3C(O)\\C(=C/C4O)CO","spectrum_id":"CCMSLIB00000855722","spectrum_index":5563},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347620-02_C22H34O4_7-Oxabicyclo[4.1.0]hept-3-ene-2,5-diol, 4-(hydroxymethyl)-1-[(1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)methyl]-","exact_mass":362.246,"inchikey":"VBZYLQJSPMDPOO-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.243835,"smiles":"C\\C1=C\\CC2C(C)(C)CCCC2(C)C1CC34OC3C(O)\\C(=C/C4O)CO","spectrum_id":"CCMSLIB00000855723","spectrum_index":5564},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347713-02_C36H44N8O9_Cyclo(glycyltryptophylprolylglycylvalylglycyl-beta-hydroxytyrosyl)","exact_mass":732.323,"inchikey":"SYBLQDYULNRQHI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":733.329041,"smiles":"CC(C)C1NC(=O)CNC(=O)C2CCCN2C(=O)C(CC3=C[NH]C4=CC=CC=C34)NC(=O)CNC(=O)C(NC(=O)CNC1=O)C(O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000855726","spectrum_index":5565},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347713-02_C36H44N8O9_Cyclo(glycyltryptophylprolylglycylvalylglycyl-beta-hydroxytyrosyl)","exact_mass":732.323,"inchikey":"SYBLQDYULNRQHI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":755.310242,"smiles":"CC(C)C1NC(=O)CNC(=O)C2CCCN2C(=O)C(CC3=C[NH]C4=CC=CC=C34)NC(=O)CNC(=O)C(NC(=O)CNC1=O)C(O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00000855727","spectrum_index":5566},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381452-01_C28H36O8_Androsta-11,15-diene-14-carboxylic acid, 3-(acetyloxy)-6,19-epoxy-15-hydroxy-4,4,8,12,16-pentamethyl-17,19-dioxo-, methyl ester, (3alpha,6alpha,9xi,14beta)-","exact_mass":500.241,"inchikey":"JYWRCSAWBUAIFO-DJJVHJNASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":501.249115,"smiles":"COC(=O)[C@]12\\C(=C(C)/C(=O)[C@@]1(C)\\C(=C/C3[C@@]2(C)C[C@@H]4OC(=O)[C@@]35CC[C@@H](OC(C)=O)C(C)(C)C45)C)O","spectrum_id":"CCMSLIB00000855729","spectrum_index":5567},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381453-01_C28H32O8_(2E,4E,2'E,4'E)-1,1'-[(1R,7S,10S)-1,6,8,13-Tetrahydroxy-3,7,10,14-tetramethyl-2,9-dioxapentacyclo[8.4.0.0~3,8~.0~4,14~.0~7,11~]tetradeca-5,12-diene-5,12-diyl]bis(2,4-hexadien-1-one)","exact_mass":496.21,"inchikey":"VATYWOIGKMMCMM-QHQUPYHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":497.218628,"smiles":"C/C=C/C=C/C(=O)C/1=C(O)/[C@]2(C)C3C(=C(O)C4(C)C1[C@]5(C)O[C@@]4(O)[C@@]3(C)O[C@]25O)C(=O)\\C=C\\C=C\\C","spectrum_id":"CCMSLIB00000855732","spectrum_index":5568},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381453-01_C28H32O8_(2E,4E,2'E,4'E)-1,1'-[(1R,7S,10S)-1,6,8,13-Tetrahydroxy-3,7,10,14-tetramethyl-2,9-dioxapentacyclo[8.4.0.0~3,8~.0~4,14~.0~7,11~]tetradeca-5,12-diene-5,12-diyl]bis(2,4-hexadien-1-one)","exact_mass":496.21,"inchikey":"VATYWOIGKMMCMM-QHQUPYHQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":538.241333,"smiles":"C/C=C/C=C/C(=O)C/1=C(O)/[C@]2(C)C3C(=C(O)C4(C)C1[C@]5(C)O[C@@]4(O)[C@@]3(C)O[C@]25O)C(=O)\\C=C\\C=C\\C","spectrum_id":"CCMSLIB00000855733","spectrum_index":5569},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169850-02_C24H30O12_2H-Pyran-4-acetic acid, 5-carboxy-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-, alpha-[2-(4-hydroxyphenyl)ethyl] ester, (2S,3Z,4S)-","exact_mass":510.174,"inchikey":"BSUNYCAAALCBNU-MONCMAELSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":533.162781,"smiles":"C\\C=C\\1[C@@H](O\\C=C(/[C@H]1CC(=O)OCCC2=CC=C(O)C=C2)C(O)=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000855735","spectrum_index":5570},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179912-02_C45H73NO15_beta-D-Glucopyranoside, spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-","exact_mass":867.498,"inchikey":"MBWUSSKCCUMJHO-PLAVSGCFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":868.502197,"smiles":"CC1CCC2(NC1)OC3CC4C5C\\C=C6\\CC(CCC6(C)C5CCC4(C)C3C2C)O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O","spectrum_id":"CCMSLIB00000855738","spectrum_index":5571},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347665-02_C31H40O12_Butanoic acid, 2-methyl-, 9-(3-furanyl)decahydro-2,6,8,9,14-pentahydroxy-3,8a-dimethyl-7-oxo-12H,13aH-3,6a,11b-[1,1,3]propanetriyl-2H,8H-oxireno[3',3a']indeno[5',4':4,5]pyrano[2,3-b]oxocin-4-yl ester","exact_mass":604.252,"inchikey":"GSAWBDXYMSQMRT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":605.258667,"smiles":"CCC(C)C(=O)OC1CC(O)C23C4OCC5(C(O)CC2C1(C)C(O)O4)C3C(=O)C(O)C6(C)C(O)(CC7OC567)C8=COC=C8","spectrum_id":"CCMSLIB00000855739","spectrum_index":5572},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347665-02_C31H40O12_Butanoic acid, 2-methyl-, 9-(3-furanyl)decahydro-2,6,8,9,14-pentahydroxy-3,8a-dimethyl-7-oxo-12H,13aH-3,6a,11b-[1,1,3]propanetriyl-2H,8H-oxireno[3',3a']indeno[5',4':4,5]pyrano[2,3-b]oxocin-4-yl ester","exact_mass":604.252,"inchikey":"GSAWBDXYMSQMRT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":587.247986,"smiles":"CCC(C)C(=O)OC1CC(O)C23C4OCC5(C(O)CC2C1(C)C(O)O4)C3C(=O)C(O)C6(C)C(O)(CC7OC567)C8=COC=C8","spectrum_id":"CCMSLIB00000855742","spectrum_index":5573},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347665-02_C31H40O12_Butanoic acid, 2-methyl-, 9-(3-furanyl)decahydro-2,6,8,9,14-pentahydroxy-3,8a-dimethyl-7-oxo-12H,13aH-3,6a,11b-[1,1,3]propanetriyl-2H,8H-oxireno[3',3a']indeno[5',4':4,5]pyrano[2,3-b]oxocin-4-yl ester","exact_mass":604.252,"inchikey":"GSAWBDXYMSQMRT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":627.23999,"smiles":"CCC(C)C(=O)OC1CC(O)C23C4OCC5(C(O)CC2C1(C)C(O)O4)C3C(=O)C(O)C6(C)C(O)(CC7OC567)C8=COC=C8","spectrum_id":"CCMSLIB00000855743","spectrum_index":5574},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380106-01_C31H48O16_alpha-D-Glucopyranoside, 4-O-acetyl-6-O-(2-methyl-1-oxobutyl)-1-O-(3-methyl-1-oxobutyl)-beta-D-fructofuranosyl 2-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-, 6-acetate","exact_mass":676.294,"inchikey":"LPCRSLMVMNEPGT-RMDLPFQISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":694.327026,"smiles":"CCC(C)C(=O)OC[C@H]1O[C@@](COC(=O)CC(C)C)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(=O)\\C(C)=C\\C)[C@@H](O)[C@@H]1OC(C)=O","spectrum_id":"CCMSLIB00000855746","spectrum_index":5575},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380106-01_C31H48O16_alpha-D-Glucopyranoside, 4-O-acetyl-6-O-(2-methyl-1-oxobutyl)-1-O-(3-methyl-1-oxobutyl)-beta-D-fructofuranosyl 2-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-, 6-acetate","exact_mass":676.294,"inchikey":"LPCRSLMVMNEPGT-RMDLPFQISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":699.28186,"smiles":"CCC(C)C(=O)OC[C@H]1O[C@@](COC(=O)CC(C)C)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(=O)\\C(C)=C\\C)[C@@H](O)[C@@H]1OC(C)=O","spectrum_id":"CCMSLIB00000855748","spectrum_index":5576},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380106-01_C31H48O16_alpha-D-Glucopyranoside, 4-O-acetyl-6-O-(2-methyl-1-oxobutyl)-1-O-(3-methyl-1-oxobutyl)-beta-D-fructofuranosyl 2-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-, 6-acetate","exact_mass":676.294,"inchikey":"LPCRSLMVMNEPGT-RMDLPFQISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":715.261841,"smiles":"CCC(C)C(=O)OC[C@H]1O[C@@](COC(=O)CC(C)C)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(=O)\\C(C)=C\\C)[C@@H](O)[C@@H]1OC(C)=O","spectrum_id":"CCMSLIB00000855750","spectrum_index":5577},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380110-01_C16H26O3_1-Propanone, 3-hydroxy-1-[(1R,2R,4aR,6S,8aS)-1,2,4a,5,6,7,8,8a-octahydro-2-hydroxy-1,2,6-trimethyl-1-naphthalenyl]-","exact_mass":266.188,"inchikey":"RYBXJAJHOPCXHS-RDUHTLEXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.185181,"smiles":"C[C@H]1CC[C@H]2[C@H](C1)\\C=C/[C@@](C)(O)[C@]2(C)C(=O)CCO","spectrum_id":"CCMSLIB00000855752","spectrum_index":5578},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380110-01_C16H26O3_1-Propanone, 3-hydroxy-1-[(1R,2R,4aR,6S,8aS)-1,2,4a,5,6,7,8,8a-octahydro-2-hydroxy-1,2,6-trimethyl-1-naphthalenyl]-","exact_mass":266.188,"inchikey":"RYBXJAJHOPCXHS-RDUHTLEXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.177795,"smiles":"C[C@H]1CC[C@H]2[C@H](C1)\\C=C/[C@@](C)(O)[C@]2(C)C(=O)CCO","spectrum_id":"CCMSLIB00000855754","spectrum_index":5579},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380115-01_C15H14O5_2-Hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoic acid","exact_mass":274.084,"inchikey":"ZJEIMBOWRAUNAN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.091827,"smiles":"CC1=CC(=CC(=C1)OC2=CC(=C(C(O)=O)C(=C2)O)C)O","spectrum_id":"CCMSLIB00000855756","spectrum_index":5580},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380117-01_C27H41NO4_(7E)-3-Isobutyl-4,5,8,12,12-pentamethyl-3,3a,4,6a,9,10,10a,13a,14,15-decahydro-1H-[1,3]dioxolo[7,8]cycloundeca[1,2-d]isoindole-1,16(2H)-dione","exact_mass":443.304,"inchikey":"LSWAGZSQKSSVQE-DTQAZKPQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.311127,"smiles":"CC(C)CC1NC(=O)C23C(\\C=C(C)\\CCC4OC(C)(C)OC4CCC2=O)/C=C(C)\\C(C)C13","spectrum_id":"CCMSLIB00000855758","spectrum_index":5581},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380117-01_C27H41NO4_(7E)-3-Isobutyl-4,5,8,12,12-pentamethyl-3,3a,4,6a,9,10,10a,13a,14,15-decahydro-1H-[1,3]dioxolo[7,8]cycloundeca[1,2-d]isoindole-1,16(2H)-dione","exact_mass":443.304,"inchikey":"LSWAGZSQKSSVQE-DTQAZKPQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":426.300476,"smiles":"CC(C)CC1NC(=O)C23C(\\C=C(C)\\CCC4OC(C)(C)OC4CCC2=O)/C=C(C)\\C(C)C13","spectrum_id":"CCMSLIB00000855760","spectrum_index":5582},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380117-01_C27H41NO4_(7E)-3-Isobutyl-4,5,8,12,12-pentamethyl-3,3a,4,6a,9,10,10a,13a,14,15-decahydro-1H-[1,3]dioxolo[7,8]cycloundeca[1,2-d]isoindole-1,16(2H)-dione","exact_mass":443.304,"inchikey":"LSWAGZSQKSSVQE-DTQAZKPQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":466.293091,"smiles":"CC(C)CC1NC(=O)C23C(\\C=C(C)\\CCC4OC(C)(C)OC4CCC2=O)/C=C(C)\\C(C)C13","spectrum_id":"CCMSLIB00000855761","spectrum_index":5583},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00162403-05_C20H18ClNO6_L-Phenylalanine, N-[[(3R)-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-","exact_mass":403.082,"inchikey":"RWQKHEORZBHNRI-BMIGLBTASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.087189,"smiles":"C[C@@H]1CC2=C(C(=C(C=C2Cl)C(=O)N[C@@H](CC3=CC=CC=C3)C(O)=O)O)C(=O)O1","spectrum_id":"CCMSLIB00000855764","spectrum_index":5584},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00162403-05_C20H18ClNO6_L-Phenylalanine, N-[[(3R)-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-","exact_mass":403.082,"inchikey":"RWQKHEORZBHNRI-BMIGLBTASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":426.069397,"smiles":"C[C@@H]1CC2=C(C(=C(C=C2Cl)C(=O)N[C@@H](CC3=CC=CC=C3)C(O)=O)O)C(=O)O1","spectrum_id":"CCMSLIB00000855766","spectrum_index":5585},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180418-02_C20H22O6_(1R,2S,3S,5S,11R,12R)-5-(3-Furyl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0~2,11~.0~3,8~]hexadec-15-ene-7,13-dione","exact_mass":358.142,"inchikey":"AALLCALQGXXWNA-LZDJLBIOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.146576,"smiles":"C[C@@]12C[C@H](OC(=O)C1CC[C@]3(C)[C@H]2[C@@H]\\4OC(=O)[C@@]3(O)\\C=C4)C5=COC=C5","spectrum_id":"CCMSLIB00000855768","spectrum_index":5586},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380982-01_C22H25NO8_8-Benzoyl-2-[(3E)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione","exact_mass":431.158,"inchikey":"SLYDIPAXCVVRNY-VZUCSPMQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":454.143738,"smiles":"CC/C=C/C(O)C(O)C/1=C(C)/C(=O)C2(O1)C(O)C(NC2=O)(OC)C(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00000855770","spectrum_index":5587},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380984-01_C33H34N4O6_","exact_mass":582.248,"inchikey":"VIKRIYAAOWJXCT-ZLMSUABPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":583.250183,"smiles":"CO[C@@H]1[C@@]2(O)N(C(=O)\\C3=C\\C4=C([NH]C5=C4C=CC=C5)C(C)(C)\\C=C/N3C2=O)[C@]67[C@H](CO)C(C)(C)N6C8=CC=CC=C8[C@]17O","spectrum_id":"CCMSLIB00000855772","spectrum_index":5588},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380984-01_C33H34N4O6_","exact_mass":582.248,"inchikey":"VIKRIYAAOWJXCT-ZLMSUABPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.240234,"smiles":"CO[C@@H]1[C@@]2(O)N(C(=O)\\C3=C\\C4=C([NH]C5=C4C=CC=C5)C(C)(C)\\C=C/N3C2=O)[C@]67[C@H](CO)C(C)(C)N6C8=CC=CC=C8[C@]17O","spectrum_id":"CCMSLIB00000855773","spectrum_index":5589},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380985-01_C18H20N2O4_","exact_mass":328.142,"inchikey":"CCDXRMSTRMQFCG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.147583,"smiles":"CC(C)CC(=O)N/1\\C=C(C(N)=O)/C(=O)/C=C1C(O)C2=CC=CC=C2","spectrum_id":"CCMSLIB00000855775","spectrum_index":5590},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380986-01_C15H17NO4_","exact_mass":275.116,"inchikey":"ZSSDQYBHZQJKGP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.121521,"smiles":"COC1=C2C(=O)NC(=O)C2=CC(=C1C)OCC=C(C)C","spectrum_id":"CCMSLIB00000855777","spectrum_index":5591},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380986-01_C15H17NO4_","exact_mass":275.116,"inchikey":"ZSSDQYBHZQJKGP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.147888,"smiles":"COC1=C2C(=O)NC(=O)C2=CC(=C1C)OCC=C(C)C","spectrum_id":"CCMSLIB00000855780","spectrum_index":5592},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380989-01_C21H22O7_3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 1,6b,7,8,9a,10,11,11b-octahydro-11-hydroxy-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9aS,11R,11bR)-","exact_mass":386.137,"inchikey":"SIROZWFVILRLGG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.141022,"smiles":"COCC1OC(=O)C2=COC3=C2C1(C)\\C4=C(C5CCC(=O)C5(C)CC4O)/C3=O","spectrum_id":"CCMSLIB00000855782","spectrum_index":5593},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380991-01_C15H20O4_Spiro[4.5]dec-6-ene-1-carboxylic acid, 6-ethyl-7,9-dimethyl-4,8-dioxo-","exact_mass":264.136,"inchikey":"LFDLVXYMKUPPOT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.141479,"smiles":"CCC/1=C(C)/C(=O)C(C)CC12C(CCC2=O)C(O)=O","spectrum_id":"CCMSLIB00000855784","spectrum_index":5594},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380228-01_C19H26O10_beta-D-Glucopyranoside, 4-hydroxy-5-methyl-2-(1-methylethyl)phenyl, 6-(2-carboxyacetate)","exact_mass":414.153,"inchikey":"VJVGTGQETNCOEX-LQDZTQBFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.185761,"smiles":"CC(C)C1=CC(=C(C)C=C1O[C@@H]2O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]2O)O","spectrum_id":"CCMSLIB00000855786","spectrum_index":5595},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380228-01_C19H26O10_beta-D-Glucopyranoside, 4-hydroxy-5-methyl-2-(1-methylethyl)phenyl, 6-(2-carboxyacetate)","exact_mass":414.153,"inchikey":"VJVGTGQETNCOEX-LQDZTQBFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.142517,"smiles":"CC(C)C1=CC(=C(C)C=C1O[C@@H]2O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]2O)O","spectrum_id":"CCMSLIB00000855788","spectrum_index":5596},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380229-01_C14H15N3O2_2,5-Piperazinedione, 3-(1H-indol-3-ylmethyl)-6-methyl-","exact_mass":257.116,"inchikey":"VDMMFAOUINDEGC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":258.123718,"smiles":"CC1NC(=O)C(CC2=C[NH]C3=C2C=CC=C3)NC1=O","spectrum_id":"CCMSLIB00000855790","spectrum_index":5597},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380230-01_C26H40O9_2,4a,6-Trihydroxy-8-isopropyl-1,1-dimethyl-2,3,4,4a,5,10,11,11a-octahydro-1H-dibenzo[a,d][7]annulen-7-yl beta-D-glucopyranoside","exact_mass":496.267,"inchikey":"XQWLUDAZDUBMCD-AVRSQHCNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.263702,"smiles":"CC(C)C1=CC2=C(CC3(O)CCC(O)C(C)(C)C3CC2)C(=C1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O","spectrum_id":"CCMSLIB00000855791","spectrum_index":5598},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380230-01_C26H40O9_2,4a,6-Trihydroxy-8-isopropyl-1,1-dimethyl-2,3,4,4a,5,10,11,11a-octahydro-1H-dibenzo[a,d][7]annulen-7-yl beta-D-glucopyranoside","exact_mass":496.267,"inchikey":"XQWLUDAZDUBMCD-AVRSQHCNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.255249,"smiles":"CC(C)C1=CC2=C(CC3(O)CCC(O)C(C)(C)C3CC2)C(=C1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O","spectrum_id":"CCMSLIB00000855794","spectrum_index":5599},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380235-01_C32H48O9_beta-D-Xylopyranoside, 3,17-dihydroxyspirosta-5,25(27)-dien-1-yl","exact_mass":576.33,"inchikey":"BQMMJUNULXYYFA-GIZWBJRMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.33606,"smiles":"CC1C2(CCC(=C)CO2)OC3CC4C5C/C=C6/CC(O)CC(O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C6(C)C5CCC4(C)C13O","spectrum_id":"CCMSLIB00000855796","spectrum_index":5600},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380235-01_C32H48O9_beta-D-Xylopyranoside, 3,17-dihydroxyspirosta-5,25(27)-dien-1-yl","exact_mass":576.33,"inchikey":"BQMMJUNULXYYFA-GIZWBJRMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.325928,"smiles":"CC1C2(CCC(=C)CO2)OC3CC4C5C/C=C6/CC(O)CC(O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C6(C)C5CCC4(C)C13O","spectrum_id":"CCMSLIB00000855798","spectrum_index":5601},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380240-01_C20H30O4_(5beta,8alpha,10alpha,16xi)-16,17-Dihydroxykaur-9(11)-en-18-oic acid","exact_mass":334.214,"inchikey":"QSJIZGQGHYROGD-BMDRNQJUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.211151,"smiles":"C[C@]1(CCC[C@]\\2(C)[C@@H]1CC[C@@]34C[C@H](C/C=C23)C(O)(CO)C4)C(O)=O","spectrum_id":"CCMSLIB00000855800","spectrum_index":5602},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380242-01_C30H42O9_Card-20(22)-enolide, 1,3-bis(acetyloxy)-14,15-epoxy-7,21-dihydroxy-4,4,8-trimethyl-, (1alpha,3alpha,7alpha,9xi,13alpha,15beta,17alpha)-","exact_mass":546.283,"inchikey":"VODAHSRZQBCHLA-KCMDGGSUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":547.28894,"smiles":"CC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@]2(C)C3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45[C@]3(C)[C@H](O)CC2C1(C)C)\\C6=C\\C(=O)OC6O","spectrum_id":"CCMSLIB00000855802","spectrum_index":5603},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180384-03_C22H32O6_(1S,2R,4aR,8aR)-1-Acetoxy-7-isopropylidene-1,4a-dimethyl-6-oxodecahydro-2-naphthalenyl 2,3-dimethyl-2-oxiranecarboxylate","exact_mass":392.22,"inchikey":"APZBLWQCTHVAMR-XRZTVBGOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":410.255524,"smiles":"CC1OC1(C)C(=O)O[C@@H]2CC[C@]3(C)CC(=O)C(C[C@H]3[C@]2(C)OC(C)=O)=C(C)C","spectrum_id":"CCMSLIB00000855803","spectrum_index":5604},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180384-03_C22H32O6_(1S,2R,4aR,8aR)-1-Acetoxy-7-isopropylidene-1,4a-dimethyl-6-oxodecahydro-2-naphthalenyl 2,3-dimethyl-2-oxiranecarboxylate","exact_mass":392.22,"inchikey":"APZBLWQCTHVAMR-XRZTVBGOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.211884,"smiles":"CC1OC1(C)C(=O)O[C@@H]2CC[C@]3(C)CC(=O)C(C[C@H]3[C@]2(C)OC(C)=O)=C(C)C","spectrum_id":"CCMSLIB00000855806","spectrum_index":5605},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180384-03_C22H32O6_(1S,2R,4aR,8aR)-1-Acetoxy-7-isopropylidene-1,4a-dimethyl-6-oxodecahydro-2-naphthalenyl 2,3-dimethyl-2-oxiranecarboxylate","exact_mass":392.22,"inchikey":"APZBLWQCTHVAMR-XRZTVBGOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.180237,"smiles":"CC1OC1(C)C(=O)O[C@@H]2CC[C@]3(C)CC(=O)C(C[C@H]3[C@]2(C)OC(C)=O)=C(C)C","spectrum_id":"CCMSLIB00000855808","spectrum_index":5606},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347812-02_C26H34O12_beta-D-Glucopyranoside, 2-methoxy-4-[(1S,2S,3S)-1,2,3,4-tetrahydro-3,7-dihydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1-naphthalenyl]phenyl","exact_mass":538.205,"inchikey":"CBHWSKLIWKFSRU-MNAFQOMLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":556.238159,"smiles":"COC1=CC2=C(C=C1O)[C@@H]([C@@H](CO)[C@](O)(CO)C2)C3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=C3)OC","spectrum_id":"CCMSLIB00000855810","spectrum_index":5607},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347812-02_C26H34O12_beta-D-Glucopyranoside, 2-methoxy-4-[(1S,2S,3S)-1,2,3,4-tetrahydro-3,7-dihydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1-naphthalenyl]phenyl","exact_mass":538.205,"inchikey":"CBHWSKLIWKFSRU-MNAFQOMLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.19342,"smiles":"COC1=CC2=C(C=C1O)[C@@H]([C@@H](CO)[C@](O)(CO)C2)C3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=C3)OC","spectrum_id":"CCMSLIB00000855812","spectrum_index":5608},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384703-01_C48H77NO17_Olean-12-en-28-oic acid, 16-hydroxy-3-[[O-beta-D-xylopyranosyl-(1->2)-O-alpha-L-arabinopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy]-, (3beta,5xi,9xi,16alpha,18xi)-","exact_mass":939.519,"inchikey":"MLRZPRGBFKQPOT-NYOMKSETSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":940.520447,"smiles":"CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)O[C@H]1O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7C8CC(C)(C)CC[C@@]8([C@H](O)C[C@@]67C)C(O)=O)C4(C)C","spectrum_id":"CCMSLIB00000855814","spectrum_index":5609},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384703-01_C48H77NO17_Olean-12-en-28-oic acid, 16-hydroxy-3-[[O-beta-D-xylopyranosyl-(1->2)-O-alpha-L-arabinopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy]-, (3beta,5xi,9xi,16alpha,18xi)-","exact_mass":939.519,"inchikey":"MLRZPRGBFKQPOT-NYOMKSETSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":962.50116,"smiles":"CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)O[C@H]1O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7C8CC(C)(C)CC[C@@]8([C@H](O)C[C@@]67C)C(O)=O)C4(C)C","spectrum_id":"CCMSLIB00000855816","spectrum_index":5610},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384705-01_C89H138O45_Hexopyranose, O-pentopyranosyl-(1->3)-O-pentopyranosyl-(1->4)-O-pentopyranosyl-(1->2)-1-O-[3-[[O--2,6-di-O-acetylhexopyranosyl-(1->2)-O--4-O-acetylpentopyranosyl-(1->6)-O-[pentopyranosyl-(1->2)]hexopyranosyl]oxy]-15,16-dihydroxy-28-oxoolean-12-en-28-yl]-3-O-[(2E)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadien-1-yl]-","exact_mass":1926.85,"inchikey":"XDSAOPQKLCNCGB-QNVXDBMFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1927.842773,"smiles":"CC(=O)OCC1OC(OC2C(O)C(COC2OCC3OC(OC4CCC5(C)C(CCC6(C)C5C\\C=C/7C8CC(C)(C)CCC8(C(O)C(O)C67C)C(=O)OC9OC(CO)C(O)C(OC(=O)\\C(C)=C\\CCC(C)(O)C=C)C9OC%10OCC(OC%11OCC(O)C(OC%12OCC(O)C(O)C%12O)C%11O)C(O)C%10O)C4(C)C)C(OC%13OCC(O)C(O)C%13O)C(O)C3O)OC(C)=O)C(OC(C)=O)C(O)C1O","spectrum_id":"CCMSLIB00000855818","spectrum_index":5611},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384706-01_C49H78O19_(3beta,5xi,9xi,13xi,16beta,17xi,22R,23R,24R)-3-{[alpha-L-Arabinofuranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-alpha-L-arabinopyranosyl]oxy}-20-hydroxy-24-methyl-16,23:16,30-diepoxydammar-25-en-22-yl acetate","exact_mass":970.514,"inchikey":"ZAWVKTOAAOBPLL-OGUSUOMGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":971.515015,"smiles":"C[C@@H]([C@H]1O[C@]23C[C@]4(CO2)C(CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@@H](CO)[C@H](O)[C@H]9O)C(C)(C)C6CC[C@@]45C)C3[C@@](C)(O)[C@@H]1OC(C)=O)C(C)=C","spectrum_id":"CCMSLIB00000855819","spectrum_index":5612},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384706-01_C49H78O19_(3beta,5xi,9xi,13xi,16beta,17xi,22R,23R,24R)-3-{[alpha-L-Arabinofuranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-alpha-L-arabinopyranosyl]oxy}-20-hydroxy-24-methyl-16,23:16,30-diepoxydammar-25-en-22-yl acetate","exact_mass":970.514,"inchikey":"ZAWVKTOAAOBPLL-OGUSUOMGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":993.497009,"smiles":"C[C@@H]([C@H]1O[C@]23C[C@]4(CO2)C(CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@@H](CO)[C@H](O)[C@H]9O)C(C)(C)C6CC[C@@]45C)C3[C@@](C)(O)[C@@H]1OC(C)=O)C(C)=C","spectrum_id":"CCMSLIB00000855821","spectrum_index":5613},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384707-01_C54H88O22_beta-D-Glucopyranoside, (3beta,5xi,9xi,16beta)-16-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-13,28-epoxy-23-hydroxyolean-11-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-","exact_mass":1088.58,"inchikey":"FCWFCYFJTWKGBL-BZKCATFTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1089.574585,"smiles":"C[C@@H]1O[C@@H](O[C@H]2C[C@@]3(C)[C@]4(C)CCC5[C@](C)(CO)[C@H](CC[C@]5(C)C4\\C=C/[C@@]36OC[C@@]27CCC(C)(C)C[C@@H]67)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855824","spectrum_index":5614},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384707-01_C54H88O22_beta-D-Glucopyranoside, (3beta,5xi,9xi,16beta)-16-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-13,28-epoxy-23-hydroxyolean-11-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-","exact_mass":1088.58,"inchikey":"FCWFCYFJTWKGBL-BZKCATFTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1111.556763,"smiles":"C[C@@H]1O[C@@H](O[C@H]2C[C@@]3(C)[C@]4(C)CCC5[C@](C)(CO)[C@H](CC[C@]5(C)C4\\C=C/[C@@]36OC[C@@]27CCC(C)(C)C[C@@H]67)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855826","spectrum_index":5615},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384709-01_C34H38O14_Methyl (3Z)-2-(beta-D-glucopyranosyloxy)-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3-(2-{[(2E)-3-phenyl-2-propenoyl]oxy}ethylidene)-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":670.226,"inchikey":"SPPYHEUQJYKKII-DSEXEKQXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":688.258362,"smiles":"COC(=O)C/1=C/OC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=C/COC(=O)/C=C/C3=CC=CC=C3)\\C1CC(=O)OCCC4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000855828","spectrum_index":5616},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384709-01_C34H38O14_Methyl (3Z)-2-(beta-D-glucopyranosyloxy)-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3-(2-{[(2E)-3-phenyl-2-propenoyl]oxy}ethylidene)-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":670.226,"inchikey":"SPPYHEUQJYKKII-DSEXEKQXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":693.213623,"smiles":"COC(=O)C/1=C/OC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=C/COC(=O)/C=C/C3=CC=CC=C3)\\C1CC(=O)OCCC4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00000855829","spectrum_index":5617},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384710-01_C45H70O16_beta-D-Galactopyranoside, (1beta,3beta,8xi,9xi,14xi)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]spirosta-5,25(27)-dien-1-yl 6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-","exact_mass":866.466,"inchikey":"QNYOCAYOHKMFCQ-OLPWHGRMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":867.469604,"smiles":"C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@]5(C)C6CC[C@@]7(C)C(C[C@@H]8O[C@]9(CCC(=C)CO9)[C@@H](C)[C@H]78)C6C/C=C5/C2)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855831","spectrum_index":5618},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384710-01_C45H70O16_beta-D-Galactopyranoside, (1beta,3beta,8xi,9xi,14xi)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]spirosta-5,25(27)-dien-1-yl 6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-","exact_mass":866.466,"inchikey":"QNYOCAYOHKMFCQ-OLPWHGRMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":884.496155,"smiles":"C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@]5(C)C6CC[C@@]7(C)C(C[C@@H]8O[C@]9(CCC(=C)CO9)[C@@H](C)[C@H]78)C6C/C=C5/C2)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855833","spectrum_index":5619},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384710-01_C45H70O16_beta-D-Galactopyranoside, (1beta,3beta,8xi,9xi,14xi)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]spirosta-5,25(27)-dien-1-yl 6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-","exact_mass":866.466,"inchikey":"QNYOCAYOHKMFCQ-OLPWHGRMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":889.45105,"smiles":"C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@]5(C)C6CC[C@@]7(C)C(C[C@@H]8O[C@]9(CCC(=C)CO9)[C@@H](C)[C@H]78)C6C/C=C5/C2)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855835","spectrum_index":5620},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168975-03_C16H22O10_1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-4a-hydroxy-, (4aR,5R,6S)-","exact_mass":374.121,"inchikey":"HEYZWPRKKUGDCR-QBXMEVCASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.131287,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C3\\C(=O)OCC[C@@]3(O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855837","spectrum_index":5621},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169534-02_C14H18O9_Ethanone, 1-[4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl]-","exact_mass":330.095,"inchikey":"ARYSAKCPIBLSDO-RGCYKPLRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.105255,"smiles":"CC(=O)C1=C(O)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O","spectrum_id":"CCMSLIB00000855840","spectrum_index":5622},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386018-01_C49H79NO17_Olean-12-en-28-oic acid, 16-hydroxy-3-[[O-beta-D-xylopyranosyl-(1->2)-O-6-deoxy-beta-D-galactopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy]-, (3beta,5xi,9xi,18xi)-","exact_mass":953.535,"inchikey":"MIPXDZVPQOJPHM-RGYKTBPFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":954.541077,"smiles":"C[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4C\\C=C/6C7CC(C)(C)CC[C@@]7(C(O)C[C@@]56C)C(O)=O)C3(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855841","spectrum_index":5623},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386018-01_C49H79NO17_Olean-12-en-28-oic acid, 16-hydroxy-3-[[O-beta-D-xylopyranosyl-(1->2)-O-6-deoxy-beta-D-galactopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy]-, (3beta,5xi,9xi,18xi)-","exact_mass":953.535,"inchikey":"MIPXDZVPQOJPHM-RGYKTBPFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":976.522217,"smiles":"C[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4C\\C=C/6C7CC(C)(C)CC[C@@]7(C(O)C[C@@]56C)C(O)=O)C3(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855844","spectrum_index":5624},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386019-01_C58H92O26_2-Butenoic acid, 2-methyl-, 3-[[O-beta-D-glucopyranosyl-(1->2)-O-alpha-L-arabinopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranuronosyl]oxy]-15,16,28-trihydroxyolean-12-en-22-yl ester, (2Z)-","exact_mass":1204.59,"inchikey":"HOYCWYFKKSOZBH-KJCXDNIYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1205.588379,"smiles":"C\\C=C(C)/C(=O)OC1CC(C)(C)CC2C/3=C/CC4C5(C)CCC(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]7O)C(O)=O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C12CO","spectrum_id":"CCMSLIB00000855846","spectrum_index":5625},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386019-01_C58H92O26_2-Butenoic acid, 2-methyl-, 3-[[O-beta-D-glucopyranosyl-(1->2)-O-alpha-L-arabinopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranuronosyl]oxy]-15,16,28-trihydroxyolean-12-en-22-yl ester, (2Z)-","exact_mass":1204.59,"inchikey":"HOYCWYFKKSOZBH-KJCXDNIYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1227.570679,"smiles":"C\\C=C(C)/C(=O)OC1CC(C)(C)CC2C/3=C/CC4C5(C)CCC(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]7O)C(O)=O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C12CO","spectrum_id":"CCMSLIB00000855848","spectrum_index":5626},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386020-01_C18H28O3_8-{(1S,5R)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octanoic acid","exact_mass":292.204,"inchikey":"PMTMAFAPLCGXGK-TTXFDSJOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.213287,"smiles":"CC\\C=C/C[C@@H]1[C@@H](CCCCCCCC(O)=O)\\C=C/C1=O","spectrum_id":"CCMSLIB00000855849","spectrum_index":5627},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386020-01_C18H28O3_8-{(1S,5R)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octanoic acid","exact_mass":292.204,"inchikey":"PMTMAFAPLCGXGK-TTXFDSJOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.202667,"smiles":"CC\\C=C/C[C@@H]1[C@@H](CCCCCCCC(O)=O)\\C=C/C1=O","spectrum_id":"CCMSLIB00000855852","spectrum_index":5628},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386020-01_C18H28O3_8-{(1S,5R)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octanoic acid","exact_mass":292.204,"inchikey":"PMTMAFAPLCGXGK-TTXFDSJOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.237549,"smiles":"CC\\C=C/C[C@@H]1[C@@H](CCCCCCCC(O)=O)\\C=C/C1=O","spectrum_id":"CCMSLIB00000855854","spectrum_index":5629},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386020-01_C18H28O3_8-{(1S,5R)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octanoic acid","exact_mass":292.204,"inchikey":"PMTMAFAPLCGXGK-TTXFDSJOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.195374,"smiles":"CC\\C=C/C[C@@H]1[C@@H](CCCCCCCC(O)=O)\\C=C/C1=O","spectrum_id":"CCMSLIB00000855855","spectrum_index":5630},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386023-01_C19H22O8_2-Propenoic acid, 2-(hydroxymethyl)-, (1aR,5aR,8aR,9S,10aR,11R)-1a,2,5a,7,8,8a,9,10-octahydro-11-hydroxy-8-methylene-7-oxo-3H-4,10a-(methanooxymethano)oxireno[5,6]cyclodeca[1,2-b]furan-9-yl ester","exact_mass":378.131,"inchikey":"VPZCNCFYAPSUAL-LQLHESBKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":396.16803,"smiles":"OCC(=C)C(=O)O[C@H]1C[C@@]23O[C@@H]2CC\\C(=C\\[C@H]4OC(=O)C(=C)[C@H]14)CO[C@H]3O","spectrum_id":"CCMSLIB00000855865","spectrum_index":5631},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386023-01_C19H22O8_2-Propenoic acid, 2-(hydroxymethyl)-, (1aR,5aR,8aR,9S,10aR,11R)-1a,2,5a,7,8,8a,9,10-octahydro-11-hydroxy-8-methylene-7-oxo-3H-4,10a-(methanooxymethano)oxireno[5,6]cyclodeca[1,2-b]furan-9-yl ester","exact_mass":378.131,"inchikey":"VPZCNCFYAPSUAL-LQLHESBKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.123474,"smiles":"OCC(=C)C(=O)O[C@H]1C[C@@]23O[C@@H]2CC\\C(=C\\[C@H]4OC(=O)C(=C)[C@H]14)CO[C@H]3O","spectrum_id":"CCMSLIB00000855868","spectrum_index":5632},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169069-02_C28H37NO8_2-{2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-3,5-dihydroxy-2-methyl-7-oxo-3,4,7,9-tetrahydropyrano[2,3-e]isoindol-8(2H)-yl}pentanedioic acid","exact_mass":515.252,"inchikey":"VNVWHMGDHZPSCD-RQZCQDPDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":516.258179,"smiles":"CC(C)=CCC\\C(C)=C\\CCC1(C)OC2=C(CC1O)C(=CC3=C2CN(C(CCC(O)=O)C(O)=O)C3=O)O","spectrum_id":"CCMSLIB00000855869","spectrum_index":5633},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169069-02_C28H37NO8_2-{2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-3,5-dihydroxy-2-methyl-7-oxo-3,4,7,9-tetrahydropyrano[2,3-e]isoindol-8(2H)-yl}pentanedioic acid","exact_mass":515.252,"inchikey":"VNVWHMGDHZPSCD-RQZCQDPDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":538.239807,"smiles":"CC(C)=CCC\\C(C)=C\\CCC1(C)OC2=C(CC1O)C(=CC3=C2CN(C(CCC(O)=O)C(O)=O)C3=O)O","spectrum_id":"CCMSLIB00000855872","spectrum_index":5634},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169138-03_C19H20O7_Benz[a]anthracene-1,12-dione, 2,3,4,5,6,6a,7,12a-octahydro-5,6,6a,7,8-pentahydroxy-3-methyl-, (3R,6aR,7S,12aS)-","exact_mass":360.121,"inchikey":"NFQFDMJGZPLWGI-ADWAJRLUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.128235,"smiles":"C[C@H]1CC(=O)\\C2=C(/C1)C(O)C(O)[C@]3(O)[C@@H](O)C4=C(C=CC=C4O)C(=O)[C@@H]23","spectrum_id":"CCMSLIB00000855874","spectrum_index":5635},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169138-03_C19H20O7_Benz[a]anthracene-1,12-dione, 2,3,4,5,6,6a,7,12a-octahydro-5,6,6a,7,8-pentahydroxy-3-methyl-, (3R,6aR,7S,12aS)-","exact_mass":360.121,"inchikey":"NFQFDMJGZPLWGI-ADWAJRLUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.110138,"smiles":"C[C@H]1CC(=O)\\C2=C(/C1)C(O)C(O)[C@]3(O)[C@@H](O)C4=C(C=CC=C4O)C(=O)[C@@H]23","spectrum_id":"CCMSLIB00000855876","spectrum_index":5636},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169210-02_C21H26O8_2-Propenoic acid, 2-methyl-, (3aS,4S,5R,6R,8Z,10R,11aR)-5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester","exact_mass":406.163,"inchikey":"COWWBPRRBQOULA-NABHEWRGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.169769,"smiles":"C[C@@H]\\1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=C)[C@@H](OC(C)=O)[C@@](C)(O)C(=O)\\C=C1","spectrum_id":"CCMSLIB00000855878","spectrum_index":5637},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169210-02_C21H26O8_2-Propenoic acid, 2-methyl-, (3aS,4S,5R,6R,8Z,10R,11aR)-5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester","exact_mass":406.163,"inchikey":"COWWBPRRBQOULA-NABHEWRGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":424.196289,"smiles":"C[C@@H]\\1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=C)[C@@H](OC(C)=O)[C@@](C)(O)C(=O)\\C=C1","spectrum_id":"CCMSLIB00000855879","spectrum_index":5638},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169406-02_C15H18O8_2-Propenoic acid, 3-[4-(beta-D-glucopyranosyloxy)phenyl]-, (2E)-","exact_mass":326.1,"inchikey":"LJFYQZQUAULRDF-FDGSXQGBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.106934,"smiles":"OC[C@H]1O[C@@H](OC2=CC=C(\\C=C\\C(O)=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855882","spectrum_index":5639},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169506-02_C30H48O4_(2alpha,3beta,5xi,9xi,13xi,18xi)-2,3-Dihydroxylup-20(29)-en-28-oic acid","exact_mass":472.355,"inchikey":"PFCVZKFJHRCLCC-GOZMLZBVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.351654,"smiles":"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O","spectrum_id":"CCMSLIB00000855884","spectrum_index":5640},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381220-02_C29H49N5O9_Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, 16-(2,3-dihydroxypropyl)dodecahydro-5,8,9-trimethyl-6-(1-methylethyl)-3-(1-methylpropyl)-","exact_mass":611.353,"inchikey":"DJYDCIUMNXZSBH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":612.358459,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(O)CO)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000855886","spectrum_index":5641},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381220-02_C29H49N5O9_Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, 16-(2,3-dihydroxypropyl)dodecahydro-5,8,9-trimethyl-6-(1-methylethyl)-3-(1-methylpropyl)-","exact_mass":611.353,"inchikey":"DJYDCIUMNXZSBH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":634.3396,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(O)CO)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000855887","spectrum_index":5642},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384904-01_C20H26O6_(3R,3'R,3a'R,5S,6a'S,8'R,10'R,10a'R)-5-(3-Furyl)-3',10'-dihydroxy-8'-methyldecahydro-8'H-spiro[furan-3,7'-naphtho[1,8a-c]furan]-2-one","exact_mass":362.173,"inchikey":"FPNYZEUDIBOJQA-GUYDQXOLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.180298,"smiles":"C[C@@H]1C[C@@H](O)[C@@]23CO[C@@H](O)[C@@H]2CCC[C@@H]3[C@@]14C[C@H](OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000855890","spectrum_index":5643},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384904-01_C20H26O6_(3R,3'R,3a'R,5S,6a'S,8'R,10'R,10a'R)-5-(3-Furyl)-3',10'-dihydroxy-8'-methyldecahydro-8'H-spiro[furan-3,7'-naphtho[1,8a-c]furan]-2-one","exact_mass":362.173,"inchikey":"FPNYZEUDIBOJQA-GUYDQXOLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.169678,"smiles":"C[C@@H]1C[C@@H](O)[C@@]23CO[C@@H](O)[C@@H]2CCC[C@@H]3[C@@]14C[C@H](OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000855892","spectrum_index":5644},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384905-01_C24H40O12_(2R,3E)-4-[(1S,6R)-1-Hydroxy-2,2,6-trimethyl-4-oxocyclohexyl]-3-buten-2-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside","exact_mass":520.252,"inchikey":"IXQBRUSHWUDFSM-RJGCIVIHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.239929,"smiles":"C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)/C=C/[C@@]3(O)[C@H](C)CC(=O)CC3(C)C","spectrum_id":"CCMSLIB00000855894","spectrum_index":5645},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381155-01_C20H18O8_2-Furanacetic acid, 3-(3,4'-dihydroxy-2,5-dimethoxy[1,1'-biphenyl]-4-yl)-2,5-dihydro-5-oxo-","exact_mass":386.1,"inchikey":"LZDLOICWXKFSMI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.106415,"smiles":"COC1=CC(=C(OC)C(=C1/C2=C/C(=O)OC2CC(O)=O)O)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00000855896","spectrum_index":5646},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381156-01_C24H30O6_Methyl 3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-8-hydroxy-6a,8-dimethyl-6-oxo-6a,8,9,9a-tetrahydro-6H-furo[2,3-h]isochromene-9-carboxylate","exact_mass":414.204,"inchikey":"VYXBNIDRQOAAHX-RQADFKIXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.210083,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=C\\C/2=C/C(=O)C3(C)OC(C)(O)C(C3C2=C\\O1)C(=O)OC","spectrum_id":"CCMSLIB00000855898","spectrum_index":5647},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381156-01_C24H30O6_Methyl 3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-8-hydroxy-6a,8-dimethyl-6-oxo-6a,8,9,9a-tetrahydro-6H-furo[2,3-h]isochromene-9-carboxylate","exact_mass":414.204,"inchikey":"VYXBNIDRQOAAHX-RQADFKIXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.199646,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=C\\C/2=C/C(=O)C3(C)OC(C)(O)C(C3C2=C\\O1)C(=O)OC","spectrum_id":"CCMSLIB00000855900","spectrum_index":5648},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381156-01_C24H30O6_Methyl 3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-8-hydroxy-6a,8-dimethyl-6-oxo-6a,8,9,9a-tetrahydro-6H-furo[2,3-h]isochromene-9-carboxylate","exact_mass":414.204,"inchikey":"VYXBNIDRQOAAHX-RQADFKIXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.191742,"smiles":"CCC(C)\\C=C(C)\\C=C\\C1=C\\C/2=C/C(=O)C3(C)OC(C)(O)C(C3C2=C\\O1)C(=O)OC","spectrum_id":"CCMSLIB00000855902","spectrum_index":5649},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381157-01_C19H27NO8_2-(4,5-Dihydroxy-7,7a-dimethyl-2-oxo-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-1a(2H)-yl)-2-propen-1-yl 4-amino-2,3-dihydroxybutanoate","exact_mass":397.174,"inchikey":"HUOHZWBSCYBQDH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":398.179474,"smiles":"CC1CC(O)C(O)\\C2=C\\C(=O)C3(OC3C12C)C(=C)COC(=O)C(O)C(O)CN","spectrum_id":"CCMSLIB00000855904","spectrum_index":5650},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381160-01_C14H12O6_Spiro[cyclopent-4-ene-1,1'(3'H)-isobenzofuran]-3,3'-dione, 2,4'-dihydroxy-6'-methoxy-5-methyl-","exact_mass":276.063,"inchikey":"ISNKGHIHBITAEG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.069519,"smiles":"COC1=CC(=C2C(=O)OC\\3(C(O)C(=O)\\C=C3C)C2=C1)O","spectrum_id":"CCMSLIB00000855908","spectrum_index":5651},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381162-01_C11H18O5_(4S,5S,10R)-4-Hydroxy-5-methoxy-10-methyl-2,7-oxecanedione","exact_mass":230.115,"inchikey":"RKWVKFFFOYCNSI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":213.111145,"smiles":"COC1CC(=O)CCC(C)OC(=O)CC1O","spectrum_id":"CCMSLIB00000855910","spectrum_index":5652},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381162-01_C11H18O5_(4S,5S,10R)-4-Hydroxy-5-methoxy-10-methyl-2,7-oxecanedione","exact_mass":230.115,"inchikey":"RKWVKFFFOYCNSI-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.103439,"smiles":"COC1CC(=O)CCC(C)OC(=O)CC1O","spectrum_id":"CCMSLIB00000855912","spectrum_index":5653},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381166-01_C15H26O3_","exact_mass":254.188,"inchikey":"FUVVLIGUEPFKDK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.194443,"smiles":"CC/1=C/CC2C(C)(CO)CCCC2(CO)C1CO","spectrum_id":"CCMSLIB00000855914","spectrum_index":5654},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381166-01_C15H26O3_","exact_mass":254.188,"inchikey":"FUVVLIGUEPFKDK-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.183838,"smiles":"CC/1=C/CC2C(C)(CO)CCCC2(CO)C1CO","spectrum_id":"CCMSLIB00000855916","spectrum_index":5655},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381170-01_C23H32O6_2,4-Octadienoic acid, 7-hydroxy-, 1,3,5,5a,6,7,8,9,9a,9b-decahydro-9b-hydroxy-6,6,9a-trimethyl-1-oxonaphtho[1,2-c]furan-5-yl ester, (2E,4E)-","exact_mass":404.22,"inchikey":"GWQSYRUODDDVOT-WEYXYWBQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.215057,"smiles":"CC(O)C/C=C/C=C/C(=O)OC1\\C=C/2COC(=O)C2(O)C3(C)CCCC(C)(C)C13","spectrum_id":"CCMSLIB00000855918","spectrum_index":5656},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163403-03_C37H44ClNO6_(2R,3S,3aR,4aS,4bS,6aR,7S,7dR,8S,9aR,14bS,14cR,16aS)-12-Chloro-2-isopropenyl-14b,14c,17,17-tetramethyl-10-methylene-3,3a,6,6a,7,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadecahydro-2H,4bH-7,8-(epoxymethano)cyclobuta[5,6]benzo[1,2-e]oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3,4b,7d(5H)-triol","exact_mass":633.286,"inchikey":"JDUWHZOLEDOQSR-JKPSMKLGSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":634.299255,"smiles":"CC(=C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4[C@@H]5OC(C)(C)[C@H]6C[C@@H]7C(=C)CC8=C(Cl)C=C9[NH]C(=C5C9=C8[C@]67O)[C@]34C)[C@]2%10O[C@@H]%10[C@H]1O","spectrum_id":"CCMSLIB00000855920","spectrum_index":5657},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385549-01_C44H64O18_Olean-12-en-29-oic acid, 22-(acetyloxy)-3-[(2-O-hexopyranuronosylhexopyranuronosyl)oxy]-11-oxo-","exact_mass":880.409,"inchikey":"OBFDSOYVKVRFGY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":881.42157,"smiles":"CC(=O)OC1CC(C)(CC2C/3=C/C(=O)C4C5(C)CCC(OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)C(O)=O)C(O)=O)C(C)(C)C5CCC4(C)C3(C)CCC12C)C(O)=O","spectrum_id":"CCMSLIB00000855922","spectrum_index":5658},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385549-01_C44H64O18_Olean-12-en-29-oic acid, 22-(acetyloxy)-3-[(2-O-hexopyranuronosylhexopyranuronosyl)oxy]-11-oxo-","exact_mass":880.409,"inchikey":"OBFDSOYVKVRFGY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":903.403259,"smiles":"CC(=O)OC1CC(C)(CC2C/3=C/C(=O)C4C5(C)CCC(OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)C(O)=O)C(O)=O)C(C)(C)C5CCC4(C)C3(C)CCC12C)C(O)=O","spectrum_id":"CCMSLIB00000855924","spectrum_index":5659},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385557-01_C48H76O18_","exact_mass":940.503,"inchikey":"CROUPKILZUPLQA-SXXIBTJASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":941.515686,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7[C@@H]8CC(C)(C)CC(=O)[C@]8(C)CC[C@@]67C)[C@@]4(C)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855926","spectrum_index":5660},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385557-01_C48H76O18_","exact_mass":940.503,"inchikey":"CROUPKILZUPLQA-SXXIBTJASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":963.497009,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C\\C=C/7[C@@H]8CC(C)(C)CC(=O)[C@]8(C)CC[C@@]67C)[C@@]4(C)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000855928","spectrum_index":5661},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163699-03_C26H34O7_2,4,6,8-Decatetraenedioic acid, mono[5-methoxy-4-[2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl] ester, (2E,4E,6E,8E)-","exact_mass":458.23,"inchikey":"NGGMYCMLYOUNGM-HCNIIHBUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":459.234772,"smiles":"COC1C(CCC2(CO2)C1C3(C)OC3CC=C(C)C)OC(=O)\\C=C\\C=C\\C=C\\C=C\\C(O)=O","spectrum_id":"CCMSLIB00000855930","spectrum_index":5662},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163699-03_C26H34O7_2,4,6,8-Decatetraenedioic acid, mono[5-methoxy-4-[2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl] ester, (2E,4E,6E,8E)-","exact_mass":458.23,"inchikey":"NGGMYCMLYOUNGM-HCNIIHBUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.216492,"smiles":"COC1C(CCC2(CO2)C1C3(C)OC3CC=C(C)C)OC(=O)\\C=C\\C=C\\C=C\\C=C\\C(O)=O","spectrum_id":"CCMSLIB00000855932","spectrum_index":5663},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168836-03_C20H30O4_6,18,19-Trihydroxytrachyloban-2-one","exact_mass":334.214,"inchikey":"WTOYNGQRGOLPNU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.21936,"smiles":"CC12CC34CC(O)C5C(C)(CC(=O)CC5(CO)CO)C3CC1C2C4","spectrum_id":"CCMSLIB00000855934","spectrum_index":5664},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168836-03_C20H30O4_6,18,19-Trihydroxytrachyloban-2-one","exact_mass":334.214,"inchikey":"WTOYNGQRGOLPNU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.209259,"smiles":"CC12CC34CC(O)C5C(C)(CC(=O)CC5(CO)CO)C3CC1C2C4","spectrum_id":"CCMSLIB00000855935","spectrum_index":5665},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168836-03_C20H30O4_6,18,19-Trihydroxytrachyloban-2-one","exact_mass":334.214,"inchikey":"WTOYNGQRGOLPNU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":352.245941,"smiles":"CC12CC34CC(O)C5C(C)(CC(=O)CC5(CO)CO)C3CC1C2C4","spectrum_id":"CCMSLIB00000855938","spectrum_index":5666},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169010-02_C18H18O9_Naphtho[2,3-c]furan-1(3H)-one, 8-(beta-D-glucopyranosyloxy)-9-hydroxy-","exact_mass":378.095,"inchikey":"SGQJDTLFQCDZGS-UQEKQVNISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.099792,"smiles":"OC[C@H]1O[C@@H](OC2=C3C(=C4C(=O)OCC4=CC3=CC=C2)O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855940","spectrum_index":5667},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169156-03_C24H28O9_[(2'R,3R,4a'S,5S,5'R,6'S,8a'S)-6'-Acetoxy-5-(3-furyl)-2'-methyl-2,4'-dioxooctahydrodispiro[furan-3,1'-naphthalene-5',2''-oxiran]-4a'(2'H)-yl]methyl acetate","exact_mass":460.173,"inchikey":"UWRDCNVTKORVMI-QSQWZJICSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.177582,"smiles":"C[C@@H]1CC(=O)[C@]2(COC(C)=O)[C@H](CC[C@H](OC(C)=O)[C@]23CO3)[C@@]14C[C@H](OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000855942","spectrum_index":5668},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169156-03_C24H28O9_[(2'R,3R,4a'S,5S,5'R,6'S,8a'S)-6'-Acetoxy-5-(3-furyl)-2'-methyl-2,4'-dioxooctahydrodispiro[furan-3,1'-naphthalene-5',2''-oxiran]-4a'(2'H)-yl]methyl acetate","exact_mass":460.173,"inchikey":"UWRDCNVTKORVMI-QSQWZJICSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":478.204102,"smiles":"C[C@@H]1CC(=O)[C@]2(COC(C)=O)[C@H](CC[C@H](OC(C)=O)[C@]23CO3)[C@@]14C[C@H](OC4=O)C5=COC=C5","spectrum_id":"CCMSLIB00000855944","spectrum_index":5669},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169595-03_C20H32O3_[(2R,5R,8a'S)-2',5,5',5',8a'-Pentamethyl-4,4a',5,5',6',7',8',8a'-octahydro-3H,4'H-spiro[furan-2,1'-naphthalen]-5-yl]acetic acid","exact_mass":320.235,"inchikey":"XLWWERNKTLITEF-FOUFQHLJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.240356,"smiles":"C\\C1=C\\CC2C(C)(C)CCC[C@]2(C)[C@@]13CC[C@](C)(CC(O)=O)O3","spectrum_id":"CCMSLIB00000855946","spectrum_index":5670},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169595-03_C20H32O3_[(2R,5R,8a'S)-2',5,5',5',8a'-Pentamethyl-4,4a',5,5',6',7',8',8a'-octahydro-3H,4'H-spiro[furan-2,1'-naphthalen]-5-yl]acetic acid","exact_mass":320.235,"inchikey":"XLWWERNKTLITEF-FOUFQHLJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.229858,"smiles":"C\\C1=C\\CC2C(C)(C)CCC[C@]2(C)[C@@]13CC[C@](C)(CC(O)=O)O3","spectrum_id":"CCMSLIB00000855948","spectrum_index":5671},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169595-03_C20H32O3_[(2R,5R,8a'S)-2',5,5',5',8a'-Pentamethyl-4,4a',5,5',6',7',8',8a'-octahydro-3H,4'H-spiro[furan-2,1'-naphthalen]-5-yl]acetic acid","exact_mass":320.235,"inchikey":"XLWWERNKTLITEF-FOUFQHLJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.222046,"smiles":"C\\C1=C\\CC2C(C)(C)CCC[C@]2(C)[C@@]13CC[C@](C)(CC(O)=O)O3","spectrum_id":"CCMSLIB00000855950","spectrum_index":5672},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380850-01_C19H24O6_Propanoic acid, 2-methyl-, (3aR,4R,6R,7E,10E,11aR)-2,3,3a,4,5,6,9,11a-octahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,9-dioxocyclodeca[b]furan-4-yl ester","exact_mass":348.157,"inchikey":"DUQSSEQKLJQACA-QPQUHBLXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.151917,"smiles":"CC(C)C(=O)O[C@@H]1C[C@@](C)(O)\\C=C\\C(=O)\\C(=C\\[C@H]2OC(=O)C(=C)[C@H]12)C","spectrum_id":"CCMSLIB00000855952","spectrum_index":5673},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380850-01_C19H24O6_Propanoic acid, 2-methyl-, (3aR,4R,6R,7E,10E,11aR)-2,3,3a,4,5,6,9,11a-octahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,9-dioxocyclodeca[b]furan-4-yl ester","exact_mass":348.157,"inchikey":"DUQSSEQKLJQACA-QPQUHBLXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.188782,"smiles":"CC(C)C(=O)O[C@@H]1C[C@@](C)(O)\\C=C\\C(=O)\\C(=C\\[C@H]2OC(=O)C(=C)[C@H]12)C","spectrum_id":"CCMSLIB00000855954","spectrum_index":5674},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00160181-03_C23H25NO_Pyrano[3,2-a]carbazole, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-penten-1-yl)-","exact_mass":331.194,"inchikey":"HTNVFUBCWIYPJN-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":332.202393,"smiles":"CC(C)=CCCC\\1(C)OC2=C(\\C=C1)C3=C(C=C2C)C4=C([NH]3)C=CC=C4","spectrum_id":"CCMSLIB00000855956","spectrum_index":5675},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169097-03_C27H35NO12_Methyl (2S,3R,4S)-4-{[(1R)-2-acetyl-6,7-dihydroxy-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-(beta-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":565.216,"inchikey":"QISXROCIXKXUPS-OWVLCBNUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":566.224426,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1C[C@H]3N(CCC4=C3C=C(O)C(=C4)O)C(C)=O","spectrum_id":"CCMSLIB00000855957","spectrum_index":5676},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169097-03_C27H35NO12_Methyl (2S,3R,4S)-4-{[(1R)-2-acetyl-6,7-dihydroxy-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-(beta-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate","exact_mass":565.216,"inchikey":"QISXROCIXKXUPS-OWVLCBNUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":588.205444,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1C[C@H]3N(CCC4=C3C=C(O)C(=C4)O)C(C)=O","spectrum_id":"CCMSLIB00000855960","spectrum_index":5677},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169833-02_C15H22O9_(1S,4aR,5S,7aS)-5-Hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside","exact_mass":346.126,"inchikey":"RJWJHRPNHPHBRN-FKVJWERZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.120544,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3[C@H](O)\\C=C(\\CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855961","spectrum_index":5678},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169833-02_C15H22O9_(1S,4aR,5S,7aS)-5-Hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside","exact_mass":346.126,"inchikey":"RJWJHRPNHPHBRN-FKVJWERZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.162079,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3[C@H](O)\\C=C(\\CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855964","spectrum_index":5679},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169833-02_C15H22O9_(1S,4aR,5S,7aS)-5-Hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside","exact_mass":346.126,"inchikey":"RJWJHRPNHPHBRN-FKVJWERZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.117157,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3[C@H](O)\\C=C(\\CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000855966","spectrum_index":5680},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384532-01_C35H52O14_Carda-5,17-dienolide, 3-[(3-O-hexopyranosylhexopyranosyl)oxy]-14-hydroxy-, (17E)-","exact_mass":696.336,"inchikey":"KCTBPFMPBFTHKQ-KNTRCKAVSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":719.324402,"smiles":"CC12CCC(C\\C1=C\\CC3C2CCC4(C)\\C(CCC34O)=C5\\COC(=O)C5)OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O","spectrum_id":"CCMSLIB00000855968","spectrum_index":5681},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384533-01_C68H106O33_2-Butenoic acid, 2-methyl-, 16,22-bis(acetyloxy)-13,28-epoxy-3-[[O-hexopyranosyl-(1->2)-O-[O-pentopyranosyl-(1->2)-O--6-deoxyhexopyranosyl-(1->2)hexopyranosyl-(1->3)]hexopyranuronosyl]oxy]-28-hydroxyoleanan-21-yl ester, (2Z)-","exact_mass":1450.66,"inchikey":"OZHHCUMXMKJHSM-MXAYSNPKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1433.644531,"smiles":"C\\C=C(C)/C(=O)OC1C(OC(C)=O)C23C(O)OC4(CCC5C6(C)CCC(OC7OC(C(O)C(OC8OC(CO)C(O)C(O)C8OC9OC(C)C(O)C(O)C9OC%10OCC(O)C(O)C%10O)C7OC%11OC(CO)C(O)C(O)C%11O)C(O)=O)C(C)(C)C6CCC5(C)C4(C)CC2OC(C)=O)C3CC1(C)C","spectrum_id":"CCMSLIB00000855969","spectrum_index":5682},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00167959-05_C20H19NO5_[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5bR,6S,12bS)-","exact_mass":353.126,"inchikey":"GHKISGDRQRSCII-ZOCIIQOWSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":354.136749,"smiles":"CN1CC2=C(C=CC3=C2OCO3)[C@H]4[C@@H](O)CC5=CC6=C(OCO6)C=C5[C@@H]14","spectrum_id":"CCMSLIB00000855972","spectrum_index":5683},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347407-02_C16H23NO6_2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione, 4,5,8,10,12,13,13a,13b-octahydro-3,4-dihydroxy-3,4,5-trimethyl-","exact_mass":325.153,"inchikey":"WOPYGCANEAIOEM-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":326.162445,"smiles":"CC1C(=O)OC\\C2=C\\CN3CCC(OC(=O)C(C)(O)C1(C)O)C23","spectrum_id":"CCMSLIB00000855973","spectrum_index":5684},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385794-01_C30H46O9_(3beta,5beta)-3-[(2,6-Dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide","exact_mass":550.314,"inchikey":"WPKQVDYSPWCVGM-ZNDDOCHDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.324402,"smiles":"CO[C@H]1C[C@@H](O[C@H](C)[C@H]1O)O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)/C6=C/C(=O)OC6","spectrum_id":"CCMSLIB00000855976","spectrum_index":5685},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385795-01_C18H28O3_2H-Pyran-2-one, tetrahydro-4-hydroxy-6-[2-(1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl)ethyl]-","exact_mass":292.204,"inchikey":"XQUGJIFOYBNDBQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.213501,"smiles":"CC1\\C=C/C2CCCCC2C1CCC3CC(O)CC(=O)O3","spectrum_id":"CCMSLIB00000855978","spectrum_index":5686},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385795-01_C18H28O3_2H-Pyran-2-one, tetrahydro-4-hydroxy-6-[2-(1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl)ethyl]-","exact_mass":292.204,"inchikey":"XQUGJIFOYBNDBQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.202667,"smiles":"CC1\\C=C/C2CCCCC2C1CCC3CC(O)CC(=O)O3","spectrum_id":"CCMSLIB00000855980","spectrum_index":5687},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385797-01_C13H16O4_{4-[(2-Hydroxy-3-methyl-3-buten-1-yl)oxy]phenyl}acetic acid","exact_mass":236.105,"inchikey":"NTVKQXXUTNSBBQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":254.140488,"smiles":"CC(=C)C(O)COC1=CC=C(CC(O)=O)C=C1","spectrum_id":"CCMSLIB00000855981","spectrum_index":5688},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385797-01_C13H16O4_{4-[(2-Hydroxy-3-methyl-3-buten-1-yl)oxy]phenyl}acetic acid","exact_mass":236.105,"inchikey":"NTVKQXXUTNSBBQ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.095764,"smiles":"CC(=C)C(O)COC1=CC=C(CC(O)=O)C=C1","spectrum_id":"CCMSLIB00000855983","spectrum_index":5689},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385798-01_C31H43N7O6_","exact_mass":609.327,"inchikey":"RXOMDRQVYULRRU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":610.337708,"smiles":"CC(C)C1NC(=O)C2CCCN2C(=O)C(NC(=O)C(CC3=C[NH]C4=C3C=CC=C4)NC(=O)C(C)NC(=O)CNC1=O)C(C)C","spectrum_id":"CCMSLIB00000855985","spectrum_index":5690},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385798-01_C31H43N7O6_","exact_mass":609.327,"inchikey":"RXOMDRQVYULRRU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":632.319702,"smiles":"CC(C)C1NC(=O)C2CCCN2C(=O)C(NC(=O)C(CC3=C[NH]C4=C3C=CC=C4)NC(=O)C(C)NC(=O)CNC1=O)C(C)C","spectrum_id":"CCMSLIB00000855987","spectrum_index":5691},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385799-01_C28H36O10_2-Hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.0~1,17~.0~4,16~.0~6,14~.0~8,12~]tricosa-6(14),7,12-trien-18-yl acetate","exact_mass":532.231,"inchikey":"WDGSJYYXVXQQHP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":533.241394,"smiles":"COC1=C2C(=O)OCC2=C(C)C3=C1CC4C(C)(CC(O)C56OC(CC(OC(C)=O)C45C)(OC)OC6(C)C)O3","spectrum_id":"CCMSLIB00000855989","spectrum_index":5692},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385799-01_C28H36O10_2-Hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.0~1,17~.0~4,16~.0~6,14~.0~8,12~]tricosa-6(14),7,12-trien-18-yl acetate","exact_mass":532.231,"inchikey":"WDGSJYYXVXQQHP-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":555.223389,"smiles":"COC1=C2C(=O)OCC2=C(C)C3=C1CC4C(C)(CC(O)C56OC(CC(OC(C)=O)C45C)(OC)OC6(C)C)O3","spectrum_id":"CCMSLIB00000855991","spectrum_index":5693},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384825-01_C29H42O8_Stigmast-7-ene-6,22,26-trione, 26,28-epoxy-2,3,14,20-tetrahydroxy-, (2beta,3beta,5beta,24S,25S,28R)-","exact_mass":518.288,"inchikey":"RTGDGVVYWQUBLM-NLCATNSESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":501.282806,"smiles":"C[C@H]1OC(=O)[C@@H](C)[C@@H]1CC(=O)[C@](C)(O)[C@H]2CC[C@@]3(O)C/4=C/C(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)C4CC[C@]23C","spectrum_id":"CCMSLIB00000855993","spectrum_index":5694},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384826-01_C46H58N6O14_(1S,4R,7S,10S,13S,16S)-10-(4-Methoxybenzyl)-4,7,9,13,15,29-hexamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2~18,21~.1~23,27~]tritriaconta-18,20,23(31),24,26,32-hexaen-24-yl beta-D-glucopyranoside","exact_mass":918.401,"inchikey":"UYXWCWJRGWWTGU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":919.399231,"smiles":"COC1=CC=C(CC2N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C3CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(=C4)OC6=CC=C(CC(N(C)C(=O)C(C)NC2=O)C(=O)N3C)C=C6)C=C1","spectrum_id":"CCMSLIB00000855995","spectrum_index":5695},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384826-01_C46H58N6O14_(1S,4R,7S,10S,13S,16S)-10-(4-Methoxybenzyl)-4,7,9,13,15,29-hexamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2~18,21~.1~23,27~]tritriaconta-18,20,23(31),24,26,32-hexaen-24-yl beta-D-glucopyranoside","exact_mass":918.401,"inchikey":"UYXWCWJRGWWTGU-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":941.381226,"smiles":"COC1=CC=C(CC2N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C3CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(=C4)OC6=CC=C(CC(N(C)C(=O)C(C)NC2=O)C(=O)N3C)C=C6)C=C1","spectrum_id":"CCMSLIB00000855997","spectrum_index":5696},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384831-01_C20H16N4O2_4-(1H-Indol-3-ylmethyl)-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione","exact_mass":344.127,"inchikey":"YFNRNQBGKNOAPT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.134033,"smiles":"O=C1NC\\C2=N\\C3=C(C=CC=C3)C(=O)N2C1CC4=C[NH]C5=C4C=CC=C5","spectrum_id":"CCMSLIB00000855999","spectrum_index":5697},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384834-01_C24H36O15_Benzyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-3-O-beta-D-glucopyranosyl-beta-D-glucopyranoside","exact_mass":564.205,"inchikey":"XRUAMQHLDNCEHM-IEMCRNCHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.210693,"smiles":"OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OCC3=CC=CC=C3)[C@@H]2O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000856001","spectrum_index":5698},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384834-01_C24H36O15_Benzyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-3-O-beta-D-glucopyranosyl-beta-D-glucopyranoside","exact_mass":564.205,"inchikey":"XRUAMQHLDNCEHM-IEMCRNCHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":587.191895,"smiles":"OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OCC3=CC=CC=C3)[C@@H]2O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000856003","spectrum_index":5699},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384843-01_C26H34O9_","exact_mass":490.22,"inchikey":"UHBMKIHOBUKYRH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":491.2258,"smiles":"COC1=C2C(=O)OCC2=C(C)C3=C1CC4C(C)(CC(O)C56OC(CC(O)C45C)(OC)OC6(C)C)O3","spectrum_id":"CCMSLIB00000856005","spectrum_index":5700},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384843-01_C26H34O9_","exact_mass":490.22,"inchikey":"UHBMKIHOBUKYRH-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":473.215179,"smiles":"COC1=C2C(=O)OCC2=C(C)C3=C1CC4C(C)(CC(O)C56OC(CC(O)C45C)(OC)OC6(C)C)O3","spectrum_id":"CCMSLIB00000856007","spectrum_index":5701},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384845-01_C44H62N2O12_(2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3E)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide","exact_mass":810.43,"inchikey":"NTAHMPNXQOYXSX-KACLEDLJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":811.430298,"smiles":"CC[C@H](C(=O)NC/C=C/C=C(C)/[C@@H](OC)[C@@H](C)[C@@H]1O[C@H](/C=C/C=C/C=C(C)/C(=O)C/2=C(O)/C=C\\N(C)C2=O)[C@H](O)[C@@H]1O)[C@@]3(O)O[C@@H](\\C=C\\C=C\\C)C(C)(C)[C@@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000856009","spectrum_index":5702},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384845-01_C44H62N2O12_(2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3E)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide","exact_mass":810.43,"inchikey":"NTAHMPNXQOYXSX-KACLEDLJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":793.420532,"smiles":"CC[C@H](C(=O)NC/C=C/C=C(C)/[C@@H](OC)[C@@H](C)[C@@H]1O[C@H](/C=C/C=C/C=C(C)/C(=O)C/2=C(O)/C=C\\N(C)C2=O)[C@H](O)[C@@H]1O)[C@@]3(O)O[C@@H](\\C=C\\C=C\\C)C(C)(C)[C@@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000856011","spectrum_index":5703},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384845-01_C44H62N2O12_(2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3E)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide","exact_mass":810.43,"inchikey":"NTAHMPNXQOYXSX-KACLEDLJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":833.412476,"smiles":"CC[C@H](C(=O)NC/C=C/C=C(C)/[C@@H](OC)[C@@H](C)[C@@H]1O[C@H](/C=C/C=C/C=C(C)/C(=O)C/2=C(O)/C=C\\N(C)C2=O)[C@H](O)[C@@H]1O)[C@@]3(O)O[C@@H](\\C=C\\C=C\\C)C(C)(C)[C@@H](O)[C@H]3O","spectrum_id":"CCMSLIB00000856013","spectrum_index":5704},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168940-03_C26H34O12_4-{[(3S,4R,5S)-3-Hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methyl}-2-methoxyphenyl beta-D-glucopyranoside","exact_mass":538.205,"inchikey":"SXGSYHDLSPXCMU-CTQTXEDXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":556.239441,"smiles":"COC1=C(O)C=CC(=C1)[C@H]2OC[C@](O)(CC3=CC(=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)OC)[C@@H]2CO","spectrum_id":"CCMSLIB00000856015","spectrum_index":5705},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180769-03_C17H24O6_2-Butenoic acid, 2-methyl-, (1S,5R,6S)-5-(acetyloxy)-3-(hydroxymethyl)-6-(1-methylethyl)-4-oxo-2-cyclohexen-1-yl ester, (2E)-","exact_mass":324.157,"inchikey":"RCCXCTSYJHNSRE-KOPIJTNESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.165833,"smiles":"C\\C=C(/C)C(=O)O[C@H]1\\C=C(\\CO)C(=O)[C@H](OC(C)=O)[C@H]1C(C)C","spectrum_id":"CCMSLIB00000856017","spectrum_index":5706},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380700-01_C27H32O10_Methyl (2S)-[(5S,6S,10S,12S,13R,15S,19S)-6-(3-furyl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.0~2,12~.0~5,10~.0~10,12~.0~13,18~]nonadec-19-yl](hydroxy)acetate","exact_mass":516.2,"inchikey":"SZIDPCXTWHHMAY-WRFOTCILSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.207825,"smiles":"COC(=O)[C@@H](O)[C@H]1[C@@]2(C)CC3(O)[C@@H](C(=O)[C@H]2O)[C@]45O[C@]46CC(=O)O[C@@H](C7=COC=C7)[C@]6(C)CCC5[C@]13C","spectrum_id":"CCMSLIB00000856019","spectrum_index":5707},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380700-01_C27H32O10_Methyl (2S)-[(5S,6S,10S,12S,13R,15S,19S)-6-(3-furyl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.0~2,12~.0~5,10~.0~10,12~.0~13,18~]nonadec-19-yl](hydroxy)acetate","exact_mass":516.2,"inchikey":"SZIDPCXTWHHMAY-WRFOTCILSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":534.233459,"smiles":"COC(=O)[C@@H](O)[C@H]1[C@@]2(C)CC3(O)[C@@H](C(=O)[C@H]2O)[C@]45O[C@]46CC(=O)O[C@@H](C7=COC=C7)[C@]6(C)CCC5[C@]13C","spectrum_id":"CCMSLIB00000856022","spectrum_index":5708},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380700-01_C27H32O10_Methyl (2S)-[(5S,6S,10S,12S,13R,15S,19S)-6-(3-furyl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.0~2,12~.0~5,10~.0~10,12~.0~13,18~]nonadec-19-yl](hydroxy)acetate","exact_mass":516.2,"inchikey":"SZIDPCXTWHHMAY-WRFOTCILSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":539.189575,"smiles":"COC(=O)[C@@H](O)[C@H]1[C@@]2(C)CC3(O)[C@@H](C(=O)[C@H]2O)[C@]45O[C@]46CC(=O)O[C@@H](C7=COC=C7)[C@]6(C)CCC5[C@]13C","spectrum_id":"CCMSLIB00000856024","spectrum_index":5709},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380701-01_C24H32O11_2-Propenoic acid, 2-methyl-, (4S,6R,6aS,9R,10S,10aR)-6,10-bis(acetyloxy)-4,5,6,6a,7,8,9,10-octahydro-6a,9-dihydroxy-3-(methoxymethyl)-6,9-dimethyl-2-oxo-2H-naphtho[8a,1-b]furan-4-yl ester","exact_mass":496.194,"inchikey":"HOMCMRVLJZABGH-IRUQYQAUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":497.202362,"smiles":"COCC\\1=C2/[C@H](C[C@@](C)(OC(C)=O)[C@@]3(O)CC[C@@](C)(O)[C@H](OC(C)=O)[C@]23OC1=O)OC(=O)C(C)=C","spectrum_id":"CCMSLIB00000856025","spectrum_index":5710},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380701-01_C24H32O11_2-Propenoic acid, 2-methyl-, (4S,6R,6aS,9R,10S,10aR)-6,10-bis(acetyloxy)-4,5,6,6a,7,8,9,10-octahydro-6a,9-dihydroxy-3-(methoxymethyl)-6,9-dimethyl-2-oxo-2H-naphtho[8a,1-b]furan-4-yl ester","exact_mass":496.194,"inchikey":"HOMCMRVLJZABGH-IRUQYQAUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":514.228882,"smiles":"COCC\\1=C2/[C@H](C[C@@](C)(OC(C)=O)[C@@]3(O)CC[C@@](C)(O)[C@H](OC(C)=O)[C@]23OC1=O)OC(=O)C(C)=C","spectrum_id":"CCMSLIB00000856028","spectrum_index":5711},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380702-01_C20H22O6_2-Butenoic acid, 2-methyl-, (3aR,4R,5R,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-4-hydroxy-6,9-dimethyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-5-yl ester, (2Z)-","exact_mass":358.142,"inchikey":"PHMGTWLYHMQYHV-KCUVMBNASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.150482,"smiles":"C\\C=C(C)/C(=O)O[C@H]\\1[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@H]3\\C(=C/C(=O)/C3=C1C)C","spectrum_id":"CCMSLIB00000856030","spectrum_index":5712},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380702-01_C20H22O6_2-Butenoic acid, 2-methyl-, (3aR,4R,5R,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-4-hydroxy-6,9-dimethyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-5-yl ester, (2Z)-","exact_mass":358.142,"inchikey":"PHMGTWLYHMQYHV-KCUVMBNASA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.139465,"smiles":"C\\C=C(C)/C(=O)O[C@H]\\1[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@H]3\\C(=C/C(=O)/C3=C1C)C","spectrum_id":"CCMSLIB00000856031","spectrum_index":5713},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380703-01_C29H48ClN5O8_Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, 16-(3-chloro-2-hydroxypropyl)dodecahydro-5,8,9-trimethyl-6-(1-methylethyl)-3-(1-methylpropyl)-","exact_mass":629.319,"inchikey":"WUTLOXOGFQPKLT-TURBSJQQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":630.32666,"smiles":"CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)CCl)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000856034","spectrum_index":5714},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380703-01_C29H48ClN5O8_Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, 16-(3-chloro-2-hydroxypropyl)dodecahydro-5,8,9-trimethyl-6-(1-methylethyl)-3-(1-methylpropyl)-","exact_mass":629.319,"inchikey":"WUTLOXOGFQPKLT-TURBSJQQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":652.308166,"smiles":"CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)CCl)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00000856035","spectrum_index":5715},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380704-01_C18H18O2_Phenol, 4-[(2R,3R)-2,3-dihydro-3-methyl-5-[(1E)-1-propen-1-yl]-2-benzofuranyl]-","exact_mass":266.131,"inchikey":"GXJSAHXNLJFDPO-CGBXWHSCSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.138916,"smiles":"C/C=C/C1=CC2=C(O[C@H]([C@@H]2C)C3=CC=C(O)C=C3)C=C1","spectrum_id":"CCMSLIB00000856038","spectrum_index":5716},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179944-04_C42H70O14_(24Z)-26-(Hexopyranosyloxy)-1,21-dihydroxy-9,19-cyclolanost-24-en-3-yl hexopyranoside","exact_mass":798.477,"inchikey":"ZTYDPVHKIPHQAR-YXSASFKJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":799.478699,"smiles":"C\\C(COC1OC(CO)C(O)C(O)C1O)=C\\CCC(CO)C2CCC3(C)C4CCC5C(C)(C)C(CC(O)C56CC46CCC23C)OC7OC(CO)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000856042","spectrum_index":5717},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179944-04_C42H70O14_(24Z)-26-(Hexopyranosyloxy)-1,21-dihydroxy-9,19-cyclolanost-24-en-3-yl hexopyranoside","exact_mass":798.477,"inchikey":"ZTYDPVHKIPHQAR-YXSASFKJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":781.468872,"smiles":"C\\C(COC1OC(CO)C(O)C(O)C1O)=C\\CCC(CO)C2CCC3(C)C4CCC5C(C)(C)C(CC(O)C56CC46CCC23C)OC7OC(CO)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000856044","spectrum_index":5718},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347822-02_C24H28O12_2-Propenoic acid, 3-(4-hydroxyphenyl)-, (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, (2E)-","exact_mass":508.158,"inchikey":"SKNVKBJSSSJNCI-UIBFFPKISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":509.164307,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3[C@H](OC(=O)\\C=C\\C4=CC=C(O)C=C4)[C@@H]5O[C@]5(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000856045","spectrum_index":5719},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347822-02_C24H28O12_2-Propenoic acid, 3-(4-hydroxyphenyl)-, (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, (2E)-","exact_mass":508.158,"inchikey":"SKNVKBJSSSJNCI-UIBFFPKISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":531.146423,"smiles":"OC[C@H]1O[C@@H](O[C@@H]2O\\C=C/[C@H]3[C@H](OC(=O)\\C=C\\C4=CC=C(O)C=C4)[C@@H]5O[C@]5(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000856047","spectrum_index":5720},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385168-01_C48H76O19_Hexopyranose, 1-O-[(3beta,5xi,9xi,18xi)-3-[(3-O-hexopyranosylhexopyranuronosyl)oxy]-28-oxoolean-12-en-28-yl]-","exact_mass":956.498,"inchikey":"QZMAEZWZCGBZFK-UOWPQPKISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":979.480347,"smiles":"CC1(C)CC[C@@]2(CC[C@]3(C)\\C(=C/CC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)OC8OC(CO)C(O)C(O)C8O","spectrum_id":"CCMSLIB00000856050","spectrum_index":5721},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385169-01_C24H24O9_6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-1-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-glucopyranose","exact_mass":456.142,"inchikey":"BRXADWYLMDAXBU-FLXITYBYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.138641,"smiles":"O[C@H]1[C@H](O)[C@@H](COC(=O)\\C=C\\C2=CC=C(O)C=C2)O[C@@H](OC(=O)\\C=C\\C3=CC=CC=C3)[C@@H]1O","spectrum_id":"CCMSLIB00000856052","spectrum_index":5722},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347495-02_C23H32O6_Spiro[benzofuran-2(3H),1'(2'H)-naphthalene]-7-carboxaldehyde, 3',4',4'a,5',6',7',8',8'a-octahydro-4,6',7'-trihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethyl-","exact_mass":404.22,"inchikey":"NZIVCAVTGFEAJT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.229218,"smiles":"CC1CCC2C(C)(C)C(O)C(O)CC2(C)C13CC4=C(O3)C(=C(CO)C=C4O)C=O","spectrum_id":"CCMSLIB00000856054","spectrum_index":5723},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347495-02_C23H32O6_Spiro[benzofuran-2(3H),1'(2'H)-naphthalene]-7-carboxaldehyde, 3',4',4'a,5',6',7',8',8'a-octahydro-4,6',7'-trihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethyl-","exact_mass":404.22,"inchikey":"NZIVCAVTGFEAJT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.218567,"smiles":"CC1CCC2C(C)(C)C(O)C(O)CC2(C)C13CC4=C(O3)C(=C(CO)C=C4O)C=O","spectrum_id":"CCMSLIB00000856056","spectrum_index":5724},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347495-02_C23H32O6_Spiro[benzofuran-2(3H),1'(2'H)-naphthalene]-7-carboxaldehyde, 3',4',4'a,5',6',7',8',8'a-octahydro-4,6',7'-trihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethyl-","exact_mass":404.22,"inchikey":"NZIVCAVTGFEAJT-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.210815,"smiles":"CC1CCC2C(C)(C)C(O)C(O)CC2(C)C13CC4=C(O3)C(=C(CO)C=C4O)C=O","spectrum_id":"CCMSLIB00000856057","spectrum_index":5725},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347599-02_C32H40O17_Methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(6-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}-beta-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":696.227,"inchikey":"QIWWLKDHHMGRQL-QJIBEZHESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":697.234436,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](COC(=O)\\C=C\\C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]\\5[C@@H]1C\\C=C5CO","spectrum_id":"CCMSLIB00000856060","spectrum_index":5726},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347599-02_C32H40O17_Methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(6-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}-beta-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":696.227,"inchikey":"QIWWLKDHHMGRQL-QJIBEZHESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":714.260071,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](COC(=O)\\C=C\\C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]\\5[C@@H]1C\\C=C5CO","spectrum_id":"CCMSLIB00000856062","spectrum_index":5727},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347599-02_C32H40O17_Methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(6-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}-beta-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":696.227,"inchikey":"QIWWLKDHHMGRQL-QJIBEZHESA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":719.216553,"smiles":"COC(=O)\\C1=C\\O[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](COC(=O)\\C=C\\C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]\\5[C@@H]1C\\C=C5CO","spectrum_id":"CCMSLIB00000856064","spectrum_index":5728},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384727-01_C48H78O18_","exact_mass":942.519,"inchikey":"ABTNALLHJFCFRZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":943.520142,"smiles":"CC1OC(OCC2OC(OC3CCC4(C)C(CCC5(C)C4C\\C=C/6C7CC(C)(C)CCC7(CCC56C)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)CO)C(O)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000856066","spectrum_index":5729},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384727-01_C48H78O18_","exact_mass":942.519,"inchikey":"ABTNALLHJFCFRZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":960.549622,"smiles":"CC1OC(OCC2OC(OC3CCC4(C)C(CCC5(C)C4C\\C=C/6C7CC(C)(C)CCC7(CCC56C)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)CO)C(O)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000856068","spectrum_index":5730},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384727-01_C48H78O18_","exact_mass":942.519,"inchikey":"ABTNALLHJFCFRZ-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":965.504883,"smiles":"CC1OC(OCC2OC(OC3CCC4(C)C(CCC5(C)C4C\\C=C/6C7CC(C)(C)CCC7(CCC56C)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)CO)C(O)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00000856069","spectrum_index":5731},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384728-01_C52H84O21_","exact_mass":1044.55,"inchikey":"WBBCTOKMKWQACG-AUEPDCJTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1062.579102,"smiles":"COC1CC(OC(C)C1OC2OC(C)C(OC(=O)\\C(C)=C\\C)C(OC)C2O)OC3CCC4(C)C5CCC6(C)C(CCC6(O)C5C/C=C4/C3)C(C)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000856072","spectrum_index":5732},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384728-01_C52H84O21_","exact_mass":1044.55,"inchikey":"WBBCTOKMKWQACG-AUEPDCJTSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1067.534424,"smiles":"COC1CC(OC(C)C1OC2OC(C)C(OC(=O)\\C(C)=C\\C)C(OC)C2O)OC3CCC4(C)C5CCC6(C)C(CCC6(O)C5C/C=C4/C3)C(C)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00000856073","spectrum_index":5733},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dinactin (NCGC00384729-01_C42H68O12)","exact_mass":764.471,"inchikey":"ZBDGIMZKOJALMU-HXUSMMTHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":765.478027,"smiles":"CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](CC)C[C@H]4CC[C@H](O4)[C@H](C)C(=O)O[C@@H](C)C[C@@H]5CC[C@@H](O5)[C@@H](C)C(=O)O1","spectrum_id":"CCMSLIB00000856076","spectrum_index":5734},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384729-01_C42H68O12_(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,23-Diethyl-2,11,14,20,29,32-hexamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.1~7,10~.1~16,19~.1~25,28~]tetracontane-3,12,21,30-tetrone","exact_mass":764.471,"inchikey":"ZBDGIMZKOJALMU-HXUSMMTHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":787.460022,"smiles":"CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](CC)C[C@H]4CC[C@H](O4)[C@H](C)C(=O)O[C@@H](C)C[C@@H]5CC[C@@H](O5)[C@@H](C)C(=O)O1","spectrum_id":"CCMSLIB00000856077","spectrum_index":5735},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384729-01_C42H68O12_(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,23-Diethyl-2,11,14,20,29,32-hexamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.1~7,10~.1~16,19~.1~25,28~]tetracontane-3,12,21,30-tetrone","exact_mass":764.471,"inchikey":"ZBDGIMZKOJALMU-HXUSMMTHSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":803.432373,"smiles":"CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](CC)C[C@H]4CC[C@H](O4)[C@H](C)C(=O)O[C@@H](C)C[C@@H]5CC[C@@H](O5)[C@@H](C)C(=O)O1","spectrum_id":"CCMSLIB00000856080","spectrum_index":5736},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384732-01_C54H86O23_Pentopyranoside, 22-(acetyloxy)-16,23:16,30-diepoxy-20-hydroxy-24-methyldammar-25-en-3-yl O-pentofuranosyl-(1->2)-O-[O-pentopyranosyl-(1->3)hexopyranosyl-(1->3)]-","exact_mass":1102.56,"inchikey":"XYSDDXJJEFZTEY-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1103.556641,"smiles":"CC(C1OC23CC4(CO2)C(CCC5C6(C)CCC(OC7OCC(O)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8O)C7OC%10OC(CO)C(O)C%10O)C(C)(C)C6CCC45C)C3C(C)(O)C1OC(C)=O)C(C)=C","spectrum_id":"CCMSLIB00000856082","spectrum_index":5737},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384736-01_C30H44O5_(24E)-3-Oxolanosta-8,24-diene-21,26-dioic acid","exact_mass":484.319,"inchikey":"JHTCFCGNHFWDBQ-QGMBQPNBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.327789,"smiles":"CC(=C/CCC(C1CCC2(C)C/3=C(CCC12C)/C4(C)CCC(=O)C(C)(C)C4CC3)C(O)=O)\\C(O)=O","spectrum_id":"CCMSLIB00000856084","spectrum_index":5738},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384736-01_C30H44O5_(24E)-3-Oxolanosta-8,24-diene-21,26-dioic acid","exact_mass":484.319,"inchikey":"JHTCFCGNHFWDBQ-QGMBQPNBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":467.318054,"smiles":"CC(=C/CCC(C1CCC2(C)C/3=C(CCC12C)/C4(C)CCC(=O)C(C)(C)C4CC3)C(O)=O)\\C(O)=O","spectrum_id":"CCMSLIB00000856085","spectrum_index":5739},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178621-04_C30H46O4_Olean-12-en-30-oic acid, 3-hydroxy-11-oxo-, (3beta,5xi,9xi,18alpha)-","exact_mass":470.34,"inchikey":"MPDGHEJMBKOTSU-IYTIXWHISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.348511,"smiles":"CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]3(C)C2C(=O)\\C=C4\\[C@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O","spectrum_id":"CCMSLIB00000856088","spectrum_index":5740},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179722-03_C26H30N2O8_Oxayohimban-21-one, 19,20-didehydro-16-ethenyl-17-(beta-D-glucopyranosyloxy)-, (16alpha)-","exact_mass":498.2,"inchikey":"LBRPLJCNRZUXLS-WVGNTDMYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.209625,"smiles":"OC[C@H]1O[C@@H](OC2O\\C=C3/C(CC4N(CCC5=C4[NH]C6=C5C=CC=C6)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00000856089","spectrum_index":5741},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179809-02_C15H22O3_2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-6-(3-hydroxybutyl)-7-methyl-3-methylene-","exact_mass":250.157,"inchikey":"KQEADOUDJYBGFC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.165649,"smiles":"CC(O)CC\\C1=C\\CC2C(CC1C)OC(=O)C2=C","spectrum_id":"CCMSLIB00000856091","spectrum_index":5742},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179809-02_C15H22O3_2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-6-(3-hydroxybutyl)-7-methyl-3-methylene-","exact_mass":250.157,"inchikey":"KQEADOUDJYBGFC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.154755,"smiles":"CC(O)CC\\C1=C\\CC2C(CC1C)OC(=O)C2=C","spectrum_id":"CCMSLIB00000856093","spectrum_index":5743},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179809-02_C15H22O3_2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-6-(3-hydroxybutyl)-7-methyl-3-methylene-","exact_mass":250.157,"inchikey":"KQEADOUDJYBGFC-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.147919,"smiles":"CC(O)CC\\C1=C\\CC2C(CC1C)OC(=O)C2=C","spectrum_id":"CCMSLIB00000856095","spectrum_index":5744},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384506-01_C15H20O6_(2S,3S)-2-[(1E,3S,4R)-3,4-Dihydroxy-1-penten-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E)-2-methyl-2-butenoate","exact_mass":296.126,"inchikey":"JTHHOHSDOJJNFN-BNSHKVPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.135101,"smiles":"C/C=C(C)/C(=O)O[C@H]1\\C=C/C(=O)O[C@H]1/C=C/[C@H](O)[C@@H](C)O","spectrum_id":"CCMSLIB00000856099","spectrum_index":5745},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384506-01_C15H20O6_(2S,3S)-2-[(1E,3S,4R)-3,4-Dihydroxy-1-penten-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E)-2-methyl-2-butenoate","exact_mass":296.126,"inchikey":"JTHHOHSDOJJNFN-BNSHKVPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.124695,"smiles":"C/C=C(C)/C(=O)O[C@H]1\\C=C/C(=O)O[C@H]1/C=C/[C@H](O)[C@@H](C)O","spectrum_id":"CCMSLIB00000856102","spectrum_index":5746},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384506-01_C15H20O6_(2S,3S)-2-[(1E,3S,4R)-3,4-Dihydroxy-1-penten-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E)-2-methyl-2-butenoate","exact_mass":296.126,"inchikey":"JTHHOHSDOJJNFN-BNSHKVPBSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.117432,"smiles":"C/C=C(C)/C(=O)O[C@H]1\\C=C/C(=O)O[C@H]1/C=C/[C@H](O)[C@@H](C)O","spectrum_id":"CCMSLIB00000856103","spectrum_index":5747},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384509-01_C23H30N2O2_Ergolin-9-ol, 2-(1,1-dimethyl-2-propen-1-yl)-6,8-dimethyl-, acetate (ester), (8alpha,9beta)-","exact_mass":366.231,"inchikey":"OSICWVVWEXKSBD-NDKINLCJSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.240265,"smiles":"C[C@@H]1CN(C)[C@@H]2CC3=C([NH]C4=CC=CC(=C34)[C@H]2[C@H]1OC(C)=O)C(C)(C)C=C","spectrum_id":"CCMSLIB00000856106","spectrum_index":5748},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384511-01_C45H72O12_(1S,4E,5'R,6R,6'R,7S,8R,10S,12R,14S,16S,18E,20E,22S,25R,27R,28R,29S)-22-Ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-5',6'-dihydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,3',9,13(4'H)-tetrone","exact_mass":804.502,"inchikey":"QPRQJOHKNJIMGN-XXUZYDRNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":805.508301,"smiles":"CC[C@H]/1CC[C@H]2O[C@]3(O[C@H](C[C@H](C)O)[C@H](C)CC3=O)[C@H](C)[C@@H](OC(=O)\\C=C\\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)C(O)[C@@H](C)C(=O)[C@@](C)(O)C(O)[C@@H](C)C\\C=C\\C=C1)[C@H]2C","spectrum_id":"CCMSLIB00000856107","spectrum_index":5749},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384511-01_C45H72O12_(1S,4E,5'R,6R,6'R,7S,8R,10S,12R,14S,16S,18E,20E,22S,25R,27R,28R,29S)-22-Ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-5',6'-dihydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,3',9,13(4'H)-tetrone","exact_mass":804.502,"inchikey":"QPRQJOHKNJIMGN-XXUZYDRNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":787.498352,"smiles":"CC[C@H]/1CC[C@H]2O[C@]3(O[C@H](C[C@H](C)O)[C@H](C)CC3=O)[C@H](C)[C@@H](OC(=O)\\C=C\\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)C(O)[C@@H](C)C(=O)[C@@](C)(O)C(O)[C@@H](C)C\\C=C\\C=C1)[C@H]2C","spectrum_id":"CCMSLIB00000856109","spectrum_index":5750},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384511-01_C45H72O12_(1S,4E,5'R,6R,6'R,7S,8R,10S,12R,14S,16S,18E,20E,22S,25R,27R,28R,29S)-22-Ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-5',6'-dihydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,3',9,13(4'H)-tetrone","exact_mass":804.502,"inchikey":"QPRQJOHKNJIMGN-XXUZYDRNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":822.534302,"smiles":"CC[C@H]/1CC[C@H]2O[C@]3(O[C@H](C[C@H](C)O)[C@H](C)CC3=O)[C@H](C)[C@@H](OC(=O)\\C=C\\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)C(O)[C@@H](C)C(=O)[C@@](C)(O)C(O)[C@@H](C)C\\C=C\\C=C1)[C@H]2C","spectrum_id":"CCMSLIB00000856111","spectrum_index":5751},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384511-01_C45H72O12_(1S,4E,5'R,6R,6'R,7S,8R,10S,12R,14S,16S,18E,20E,22S,25R,27R,28R,29S)-22-Ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-5',6'-dihydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,3',9,13(4'H)-tetrone","exact_mass":804.502,"inchikey":"QPRQJOHKNJIMGN-XXUZYDRNSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":827.48938,"smiles":"CC[C@H]/1CC[C@H]2O[C@]3(O[C@H](C[C@H](C)O)[C@H](C)CC3=O)[C@H](C)[C@@H](OC(=O)\\C=C\\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)C(O)[C@@H](C)C(=O)[C@@](C)(O)C(O)[C@@H](C)C\\C=C\\C=C1)[C@H]2C","spectrum_id":"CCMSLIB00000856114","spectrum_index":5752},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384512-01_C20H24N2O2_6'-Methoxycinchonan-9-ol","exact_mass":324.184,"inchikey":"LOUPRKONTZGTKE-USWSZDBUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.193542,"smiles":"COC1=CC=C2N=CC=C(C(O)[C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)C2=C1","spectrum_id":"CCMSLIB00000856116","spectrum_index":5753},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180527-03_C23H28O11_beta-D-Glucopyranoside, (1aR,2S,5S,5aR)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl","exact_mass":480.163,"inchikey":"YKRGDOXKVOZESV-RMNZJSDUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.17038,"smiles":"C[C@@]12C[C@]3(O)O[C@H](O1)[C@]4(COC(=O)C5=CC=CC=C5)[C@H]3C[C@]24O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000856117","spectrum_index":5754},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180527-03_C23H28O11_beta-D-Glucopyranoside, (1aR,2S,5S,5aR)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl","exact_mass":480.163,"inchikey":"YKRGDOXKVOZESV-RMNZJSDUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.15979,"smiles":"C[C@@]12C[C@]3(O)O[C@H](O1)[C@]4(COC(=O)C5=CC=CC=C5)[C@H]3C[C@]24O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000856119","spectrum_index":5755},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180527-03_C23H28O11_beta-D-Glucopyranoside, (1aR,2S,5S,5aR)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl","exact_mass":480.163,"inchikey":"YKRGDOXKVOZESV-RMNZJSDUSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.152069,"smiles":"C[C@@]12C[C@]3(O)O[C@H](O1)[C@]4(COC(=O)C5=CC=CC=C5)[C@H]3C[C@]24O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O","spectrum_id":"CCMSLIB00000856122","spectrum_index":5756},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385243-01_C12H18O4_{(1R,2R)-2-[(2Z)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}acetic acid","exact_mass":226.121,"inchikey":"RZGFUGXQKMEMOO-BSANDHCLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":227.127792,"smiles":"OCC\\C=C/C[C@@H]1[C@H](CCC1=O)CC(O)=O","spectrum_id":"CCMSLIB00000856124","spectrum_index":5757},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385243-01_C12H18O4_{(1R,2R)-2-[(2Z)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}acetic acid","exact_mass":226.121,"inchikey":"RZGFUGXQKMEMOO-BSANDHCLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":209.117065,"smiles":"OCC\\C=C/C[C@@H]1[C@H](CCC1=O)CC(O)=O","spectrum_id":"CCMSLIB00000856126","spectrum_index":5758},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385243-01_C12H18O4_{(1R,2R)-2-[(2Z)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}acetic acid","exact_mass":226.121,"inchikey":"RZGFUGXQKMEMOO-BSANDHCLSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.110214,"smiles":"OCC\\C=C/C[C@@H]1[C@H](CCC1=O)CC(O)=O","spectrum_id":"CCMSLIB00000856127","spectrum_index":5759},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385246-01_C51H84O22_beta-D-Glucopyranoside, (3beta,22beta,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-","exact_mass":1048.55,"inchikey":"LVTJOONKWUXEFR-NZIBUMTKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1049.546021,"smiles":"CC(CCC1(O)OC2CC3C4C/C=C5/CC(CCC5(C)C4CCC3(C)C2C1C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00000856129","spectrum_index":5760},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385246-01_C51H84O22_beta-D-Glucopyranoside, (3beta,22beta,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-","exact_mass":1048.55,"inchikey":"LVTJOONKWUXEFR-NZIBUMTKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1031.535156,"smiles":"CC(CCC1(O)OC2CC3C4C/C=C5/CC(CCC5(C)C4CCC3(C)C2C1C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00000856131","spectrum_index":5761},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385246-01_C51H84O22_beta-D-Glucopyranoside, (3beta,22beta,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-","exact_mass":1048.55,"inchikey":"LVTJOONKWUXEFR-NZIBUMTKSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1071.526855,"smiles":"CC(CCC1(O)OC2CC3C4C/C=C5/CC(CCC5(C)C4CCC3(C)C2C1C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00000856134","spectrum_index":5762},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385247-01_C21H32O8_(3S,3aS,6E,9S,10E,11aS)-3,6,10-Trimethyl-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-9-yl beta-D-glucopyranoside","exact_mass":412.21,"inchikey":"OWPORVMZZJAHEF-HGAYJYCDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":430.243591,"smiles":"C[C@@H]1[C@@H]2CC\\C(=C\\C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)\\C(=C\\[C@H]2OC1=O)C)C","spectrum_id":"CCMSLIB00000856136","spectrum_index":5763},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385247-01_C21H32O8_(3S,3aS,6E,9S,10E,11aS)-3,6,10-Trimethyl-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-9-yl beta-D-glucopyranoside","exact_mass":412.21,"inchikey":"OWPORVMZZJAHEF-HGAYJYCDSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.199463,"smiles":"C[C@@H]1[C@@H]2CC\\C(=C\\C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)\\C(=C\\[C@H]2OC1=O)C)C","spectrum_id":"CCMSLIB00000856138","spectrum_index":5764},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385252-01_C57H92O28_alpha-L-Arabinopyranose, O-3-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-beta-D-xylopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,5xi,6beta,9xi,16alpha)-3-(beta-D-glucopyranosyloxy)-2,6,16,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-","exact_mass":1224.58,"inchikey":"KGASGDAHIPOLIY-LLQCQRHPSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1207.562256,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@]34CCC(C)(C)C[C@H]3C/5=C/CC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)C7[C@H](O)C[C@@]6(C)[C@]5(C)C[C@H]4O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O[C@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]9O","spectrum_id":"CCMSLIB00000856139","spectrum_index":5765},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385253-01_C30H44O7_(2S,4R,9beta,16alpha,23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-1,11,22-trione","exact_mass":516.309,"inchikey":"SRPHMISUTWFFKJ-QJNWWGCFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.315613,"smiles":"CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C/C=C/4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000856142","spectrum_index":5766},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385253-01_C30H44O7_(2S,4R,9beta,16alpha,23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-1,11,22-trione","exact_mass":516.309,"inchikey":"SRPHMISUTWFFKJ-QJNWWGCFSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.305145,"smiles":"CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C/C=C/4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00000856144","spectrum_index":5767},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169504-02_C17H24O11_Methyl 1-(hexopyranosyloxy)-7-hydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate","exact_mass":404.132,"inchikey":"XJMPAUZQVRGFRE-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.125244,"smiles":"COC(=O)\\C1=C\\OC(OC2OC(CO)C(O)C(O)C2O)C3C1\\C=C/C3(O)CO","spectrum_id":"CCMSLIB00000856145","spectrum_index":5768},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385331-01_C31H44O12_(2E)-3,7-Dimethyl-2,6-octadien-1-yl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside","exact_mass":608.283,"inchikey":"SWJOMZRFHWDJCX-FNGLMVHISA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":631.276123,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OC/C=C(C)/CCC=C(C)C)O[C@H](CO)[C@H]2OC(=O)\\C=C\\C3=CC=C(O)C=C3)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00000856147","spectrum_index":5769},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385334-01_C30H48O3_3-Hydroxyurs-12-en-23-oic acid","exact_mass":456.36,"inchikey":"NBGQZFQREPIKMG-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.354126,"smiles":"CC1CCC2(C)CCC3(C)\\C(=C/CC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C","spectrum_id":"CCMSLIB00000856150","spectrum_index":5770},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385335-01_C32H50O5_(3alpha,5xi,9xi,18xi)-3-Acetoxy-11-hydroxyurs-12-en-24-oic acid","exact_mass":514.366,"inchikey":"GKZSILIAFXNPRA-VKVWGUCZSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":537.359741,"smiles":"C[C@@H]1CC[C@]2(C)CC[C@]3(C)\\C(=C/[C@@H](O)C4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)(C5CC[C@@]34C)C(O)=O)[C@H]2[C@H]1C","spectrum_id":"CCMSLIB00000856151","spectrum_index":5771},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180697-02_C17H22O3_1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, 2-benzoate, (1S,2S,4R)-","exact_mass":274.157,"inchikey":"KGTUUJMNKKRNKR-VYDXJSESSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.166168,"smiles":"CC(=C)[C@@H]1CC[C@](C)(O)[C@H](C1)OC(=O)C2=CC=CC=C2","spectrum_id":"CCMSLIB00000856154","spectrum_index":5772},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180697-02_C17H22O3_1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, 2-benzoate, (1S,2S,4R)-","exact_mass":274.157,"inchikey":"KGTUUJMNKKRNKR-VYDXJSESSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":257.155243,"smiles":"CC(=C)[C@@H]1CC[C@](C)(O)[C@H](C1)OC(=O)C2=CC=CC=C2","spectrum_id":"CCMSLIB00000856155","spectrum_index":5773},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00186010-03_C11H14O5_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl ester, (1R,4aS,7aS)-","exact_mass":226.084,"inchikey":"AZKVWQKMDGGDSV-BCMRRPTOSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.075348,"smiles":"COC(=O)C/1=C/O[C@@H](O)[C@H]\\2[C@@H]1C\\C=C2CO","spectrum_id":"CCMSLIB00000856158","spectrum_index":5774},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385897-01_C13H22O4_6-Oxabicyclo[3.2.1]octane-3,8-diol, 8-[(1E)-3-hydroxy-1-buten-1-yl]-1,5-dimethyl-","exact_mass":242.152,"inchikey":"KCLMUIFNZXEZFL-SNAWJCMRSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":225.149734,"smiles":"CC(O)/C=C/C1(O)C2(C)COC1(C)CC(O)C2","spectrum_id":"CCMSLIB00000856160","spectrum_index":5775},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385898-01_C20H32O4_1-Naphthalenepentanoic acid, 5-carboxydecahydro-beta,5,8a-trimethyl-2-methylene-","exact_mass":336.23,"inchikey":"HPQKNJHVWUWAOR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.239746,"smiles":"CC(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)CC(O)=O","spectrum_id":"CCMSLIB00000856162","spectrum_index":5776},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385898-01_C20H32O4_1-Naphthalenepentanoic acid, 5-carboxydecahydro-beta,5,8a-trimethyl-2-methylene-","exact_mass":336.23,"inchikey":"HPQKNJHVWUWAOR-UHFFFAOYSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.222198,"smiles":"CC(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)CC(O)=O","spectrum_id":"CCMSLIB00000856163","spectrum_index":5777},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385908-01_C17H22O5_(3R,3aR,4aR,7aR,8R,9aR)-3,4a,8-Trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate","exact_mass":306.147,"inchikey":"NEIIKBWBBCJSQU-JNTDTDGQSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.138519,"smiles":"C[C@@H]1C[C@H]2OC(=O)[C@H](C)[C@H]2C(OC(C)=O)[C@@]3(C)[C@H]1\\C=C/C3=O","spectrum_id":"CCMSLIB00000856165","spectrum_index":5778},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385909-01_C15H18O4_(3aR,4aS,5R,8S,9aR)-5-Hydroxy-4a,8-dimethyl-3-methylene-3a,4a,5,8,9,9a-hexahydroazuleno[6,5-b]furan-2,6(3H,4H)-dione","exact_mass":262.121,"inchikey":"DYBGVZNCIXACSP-XZOKFZFXSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.130219,"smiles":"C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]\\3(C)[C@@H](O)C(=O)\\C=C13","spectrum_id":"CCMSLIB00000856167","spectrum_index":5779},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385910-01_C15H20O4_1H-3a,6-Epoxyazulene-7-acetic acid, octahydro-4,8a-dimethyl-alpha-methylene-1-oxo-, (3aR,4S,6S,7R,8aS)-","exact_mass":264.136,"inchikey":"ZONXEWIGPLHXNT-ULEBWITMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.145081,"smiles":"C[C@H]1C[C@@H]2O[C@]13CCC(=O)[C@@]3(C)C[C@@H]2C(=C)C(O)=O","spectrum_id":"CCMSLIB00000856170","spectrum_index":5780},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385910-01_C15H20O4_1H-3a,6-Epoxyazulene-7-acetic acid, octahydro-4,8a-dimethyl-alpha-methylene-1-oxo-, (3aR,4S,6S,7R,8aS)-","exact_mass":264.136,"inchikey":"ZONXEWIGPLHXNT-ULEBWITMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.134598,"smiles":"C[C@H]1C[C@@H]2O[C@]13CCC(=O)[C@@]3(C)C[C@@H]2C(=C)C(O)=O","spectrum_id":"CCMSLIB00000856172","spectrum_index":5781},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385910-01_C15H20O4_1H-3a,6-Epoxyazulene-7-acetic acid, octahydro-4,8a-dimethyl-alpha-methylene-1-oxo-, (3aR,4S,6S,7R,8aS)-","exact_mass":264.136,"inchikey":"ZONXEWIGPLHXNT-ULEBWITMSA-N","instrument":"Maxis II HD Q-TOF Bruker","instrument_model":null,"instrument_vendor":null,"ion_mode":"positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.17218,"smiles":"C[C@H]1C[C@@H]2O[C@]13CCC(=O)[C@@]3(C)C[C@@H]2C(=C)C(O)=O","spectrum_id":"CCMSLIB00000856174","spectrum_index":5782},{"adduct":"[2M-H+Ca]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179731-03!4-[5-[acetyl(hydroxy)amino]pentylamino]-2-[2-[5-[acetyl(hydroxy)amino]pentylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid [IIN-based on: CCMSLIB00000847088]","exact_mass":476.249,"inchikey":"BPEXJHGGARTCIR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":991.4495,"smiles":"CC(=O)N(O)CCCCCNC(=O)CC(O)(CC(=O)NCCCCCN(O)C(C)=O)C(O)=O","spectrum_id":"CCMSLIB00005721093","spectrum_index":5783},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179731-03!4-[5-[acetyl(hydroxy)amino]pentylamino]-2-[2-[5-[acetyl(hydroxy)amino]pentylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid [IIN-based: Match]","exact_mass":476.249,"inchikey":"BPEXJHGGARTCIR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.2402,"smiles":"CC(=O)N(O)CCCCCNC(=O)CC(O)(CC(=O)NCCCCCN(O)C(C)=O)C(O)=O","spectrum_id":"CCMSLIB00005721094","spectrum_index":5784},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00179731-03!4-[5-[acetyl(hydroxy)amino]pentylamino]-2-[2-[5-[acetyl(hydroxy)amino]pentylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid [IIN-based on: CCMSLIB00000847088]","exact_mass":476.249,"inchikey":"BPEXJHGGARTCIR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":496.2325,"smiles":"CC(=O)N(O)CCCCCNC(=O)CC(O)(CC(=O)NCCCCCN(O)C(C)=O)C(O)=O","spectrum_id":"CCMSLIB00005721095","spectrum_index":5785},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179731-03!4-[5-[acetyl(hydroxy)amino]pentylamino]-2-[2-[5-[acetyl(hydroxy)amino]pentylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid [IIN-based on: CCMSLIB00000847088]","exact_mass":476.249,"inchikey":"BPEXJHGGARTCIR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":953.5022,"smiles":"CC(=O)N(O)CCCCCNC(=O)CC(O)(CC(=O)NCCCCCN(O)C(C)=O)C(O)=O","spectrum_id":"CCMSLIB00005721096","spectrum_index":5786},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169510-03!3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol [IIN-based: Match]","exact_mass":402.17,"inchikey":"MEIWPHMJWJAVIY-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":420.2035,"smiles":"COC1=C(OC)C=C(C=C1)C2OCC3(O)C2COC3C4=CC(OC)=C(OC)C=C4","spectrum_id":"CCMSLIB00005721097","spectrum_index":5787},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169510-03!3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol [IIN-based on: CCMSLIB00000847080]","exact_mass":402.17,"inchikey":"MEIWPHMJWJAVIY-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":822.3749,"smiles":"COC1=C(OC)C=C(C=C1)C2OCC3(O)C2COC3C4=CC(OC)=C(OC)C=C4","spectrum_id":"CCMSLIB00005721098","spectrum_index":5788},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380680-01!5-hydroxy-3-[(2S,3R,4R,5S)-3-hydroxy-5-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one [IIN-based: Match]","exact_mass":726.201,"inchikey":"LKVIDBLGZHMPCV-HLAATANNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":727.2094,"smiles":"C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)=C(OC3=C2)C6=CC=C(O)C=C6)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721099","spectrum_index":5789},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380135-01!(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione [IIN-based on: CCMSLIB00000846769]","exact_mass":280.132,"inchikey":"IRPFOXRBPHCCTG-CZLFTNFUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":578.2958,"smiles":"C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(C)(O)[C@@]13CCC(=O)O3","spectrum_id":"CCMSLIB00005721100","spectrum_index":5790},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380135-01!(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione [IIN-based: Match]","exact_mass":280.132,"inchikey":"IRPFOXRBPHCCTG-CZLFTNFUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.1657,"smiles":"C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(C)(O)[C@@]13CCC(=O)O3","spectrum_id":"CCMSLIB00005721101","spectrum_index":5791},{"adduct":"[3M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380135-01!(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione [IIN-based on: CCMSLIB00000846769]","exact_mass":280.132,"inchikey":"IRPFOXRBPHCCTG-CZLFTNFUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":440.1786,"smiles":"C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(C)(O)[C@@]13CCC(=O)O3","spectrum_id":"CCMSLIB00005721102","spectrum_index":5792},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380136-01!1-(2,3-dihydropyrrol-1-yl)-8,9-dihydroxy-2-methyldecane-1,3-dione [IIN-based: Match]","exact_mass":283.179,"inchikey":"JOWVGZMGFFSVRV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.1863,"smiles":"CC(O)C(O)CCCCC(=O)C(C)C(=O)N1CCC=C1","spectrum_id":"CCMSLIB00005721103","spectrum_index":5793},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380136-01!1-(2,3-dihydropyrrol-1-yl)-8,9-dihydroxy-2-methyldecane-1,3-dione [IIN-based on: CCMSLIB00000846771]","exact_mass":283.179,"inchikey":"JOWVGZMGFFSVRV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.2133,"smiles":"CC(O)C(O)CCCCC(=O)C(C)C(=O)N1CCC=C1","spectrum_id":"CCMSLIB00005721104","spectrum_index":5794},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169117-02!3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid [IIN-based: Match]","exact_mass":422.174,"inchikey":"CEJSYHIZUAMEQV-RFOFMGPBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.1703,"smiles":"C[C@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005721105","spectrum_index":5795},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380476-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000845758]","exact_mass":434.123,"inchikey":"QKPKGDDHOGIEOO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":869.2536,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C=C3OC(CC(=O)C3=C2O)C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00005721106","spectrum_index":5796},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380476-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":434.123,"inchikey":"QKPKGDDHOGIEOO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.1298,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C=C3OC(CC(=O)C3=C2O)C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00005721107","spectrum_index":5797},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180659-03![1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate [IIN-based on: CCMSLIB00000845212]","exact_mass":414.17,"inchikey":"NUYFKDBCHFKOBT-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":846.3732,"smiles":"COC1=C2C(OC3=C(COC2=O)C=C(C)C=C3O)=CC=C1C(CC(C)C)OC(C)=O","spectrum_id":"CCMSLIB00005721108","spectrum_index":5798},{"adduct":"[3M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00180659-03![1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate [IIN-based on: CCMSLIB00000845212]","exact_mass":414.17,"inchikey":"NUYFKDBCHFKOBT-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":641.2392,"smiles":"COC1=C2C(OC3=C(COC2=O)C=C(C)C=C3O)=CC=C1C(CC(C)C)OC(C)=O","spectrum_id":"CCMSLIB00005721109","spectrum_index":5799},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180659-03![1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate [IIN-based: Match]","exact_mass":414.17,"inchikey":"NUYFKDBCHFKOBT-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.2034,"smiles":"COC1=C2C(OC3=C(COC2=O)C=C(C)C=C3O)=CC=C1C(CC(C)C)OC(C)=O","spectrum_id":"CCMSLIB00005721110","spectrum_index":5800},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384662-01!(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":450.117,"inchikey":"SPSWAOUJDYQZHR-OIKOUPSRSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.1256,"smiles":"OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C=C3O[C@@H]([C@@H](O)C(=O)C3=C2O)C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00005721111","spectrum_index":5801},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347542-02!4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol [IIN-based on: CCMSLIB00000848920]","exact_mass":328.168,"inchikey":"XCRBJSLPMIXFOO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.1645,"smiles":"COC1=CC=C(C=C1OC)C2OC(C(C)C2C)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00005721112","spectrum_index":5802},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347542-02!4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol [IIN-based on: CCMSLIB00000848920]","exact_mass":328.168,"inchikey":"XCRBJSLPMIXFOO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.1751,"smiles":"COC1=CC=C(C=C1OC)C2OC(C(C)C2C)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00005721113","spectrum_index":5803},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347542-02!4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol [IIN-based: Match]","exact_mass":328.168,"inchikey":"XCRBJSLPMIXFOO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.2014,"smiles":"COC1=CC=C(C=C1OC)C2OC(C(C)C2C)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00005721114","spectrum_index":5804},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347542-02!4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol [IIN-based on: CCMSLIB00000848920]","exact_mass":328.168,"inchikey":"XCRBJSLPMIXFOO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":674.3694,"smiles":"COC1=CC=C(C=C1OC)C2OC(C(C)C2C)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00005721115","spectrum_index":5805},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179902-03!2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid [IIN-based: Match]","exact_mass":358.217,"inchikey":"GZLIPAFSJXROEC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.2142,"smiles":"CC(C)=CCCC(C)(O)C1CC2=C(O1)C(CC=C(C)C)=CC(=C2)C(O)=O","spectrum_id":"CCMSLIB00005721116","spectrum_index":5806},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179902-03!2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid [IIN-based on: CCMSLIB00000848922]","exact_mass":358.217,"inchikey":"GZLIPAFSJXROEC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.2241,"smiles":"CC(C)=CCCC(C)(O)C1CC2=C(O1)C(CC=C(C)C)=CC(=C2)C(O)=O","spectrum_id":"CCMSLIB00005721117","spectrum_index":5807},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179902-03!2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid [IIN-based on: CCMSLIB00000848922]","exact_mass":358.217,"inchikey":"GZLIPAFSJXROEC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.2512,"smiles":"CC(C)=CCCC(C)(O)C1CC2=C(O1)C(CC=C(C)C)=CC(=C2)C(O)=O","spectrum_id":"CCMSLIB00005721118","spectrum_index":5808},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane [IIN-based: Match]","exact_mass":432.217,"inchikey":"ZPINJJOPURFFNV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.2509,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C(OC)=C3","spectrum_id":"CCMSLIB00005721119","spectrum_index":5809},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane [IIN-based on: CCMSLIB00000846229]","exact_mass":432.217,"inchikey":"ZPINJJOPURFFNV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":882.466,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C(OC)=C3","spectrum_id":"CCMSLIB00005721120","spectrum_index":5810},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane [IIN-based on: CCMSLIB00000846229]","exact_mass":432.217,"inchikey":"ZPINJJOPURFFNV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":865.4392,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C(OC)=C3","spectrum_id":"CCMSLIB00005721121","spectrum_index":5811},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380140-01!2-[2-[5-[4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-5-hydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol [IIN-based on: CCMSLIB00000846239]","exact_mass":1036.54,"inchikey":"CEERFMUHIRRAPN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1037.5495,"smiles":"CC1OC(OC2C(O)C(O)C(C)OC2OC3CC(C)C(C)(CCC(C)(OC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4OC6OC(C)C(O)C(O)C6O)C=C)C7CCC=C(C)C37C)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005721122","spectrum_index":5812},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380140-01!2-[2-[5-[4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-5-hydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol [IIN-based: Match]","exact_mass":1036.54,"inchikey":"CEERFMUHIRRAPN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1019.5375,"smiles":"CC1OC(OC2C(O)C(O)C(C)OC2OC3CC(C)C(C)(CCC(C)(OC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4OC6OC(C)C(O)C(O)C6O)C=C)C7CCC=C(C)C37C)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005721123","spectrum_index":5813},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380551-01!(5Z)-4-(carboxymethyl)-5-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethylidene]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid [IIN-based: Match]","exact_mass":552.149,"inchikey":"DIRWTXHNLLFBAL-PJTBNZIESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.1561,"smiles":"OCC1OC(OC2OC=C(C(CC(O)=O)\\\\C2=C\\\\COC(=O)\\\\C=C\\\\C3=CC=C(O)C=C3)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005721124","spectrum_index":5814},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845803]","exact_mass":398.23,"inchikey":"XFNIQDLOQLIJTQ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":814.4951,"smiles":"CCC(CC1CCC(O1)C(C)C(O)=O)OC(=O)C(C)C2CCC(CC(C)=O)O2","spectrum_id":"CCMSLIB00005721125","spectrum_index":5815},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid [IIN-based: Match]","exact_mass":398.23,"inchikey":"XFNIQDLOQLIJTQ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.2193,"smiles":"CCC(CC1CCC(O1)C(C)C(O)=O)OC(=O)C(C)C2CCC(CC(C)=O)O2","spectrum_id":"CCMSLIB00005721126","spectrum_index":5816},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845803]","exact_mass":398.23,"inchikey":"XFNIQDLOQLIJTQ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":819.4497,"smiles":"CCC(CC1CCC(O1)C(C)C(O)=O)OC(=O)C(C)C2CCC(CC(C)=O)O2","spectrum_id":"CCMSLIB00005721127","spectrum_index":5817},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385954-01!3-(2,4,5-trimethoxyphenyl)propanoic acid [IIN-based: Match]","exact_mass":240.099,"inchikey":"UGHPWKLKDZLPNM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":258.1325,"smiles":"COC1=CC(OC)=C(OC)C=C1CCC(O)=O","spectrum_id":"CCMSLIB00005721128","spectrum_index":5818},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385954-01!3-(2,4,5-trimethoxyphenyl)propanoic acid [IIN-based on: CCMSLIB00000846847]","exact_mass":240.099,"inchikey":"UGHPWKLKDZLPNM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":498.232,"smiles":"COC1=CC(OC)=C(OC)C=C1CCC(O)=O","spectrum_id":"CCMSLIB00005721129","spectrum_index":5819},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385985-01![3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate [IIN-based on: CCMSLIB00000846855]","exact_mass":376.154,"inchikey":"RPWASDJXFDDBFQ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.1614,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C(O)C(O)C(=C)COC(=O)CC(C)C","spectrum_id":"CCMSLIB00005721130","spectrum_index":5820},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385985-01![3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate [IIN-based: Match]","exact_mass":376.154,"inchikey":"RPWASDJXFDDBFQ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.1877,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C(O)C(O)C(=C)COC(=O)CC(C)C","spectrum_id":"CCMSLIB00005721131","spectrum_index":5821},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180529-03!(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone [IIN-based on: CCMSLIB00000846056]","exact_mass":639.41,"inchikey":"MIZMDSVSLSIMSC-VYLWARHZSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1279.824,"smiles":"CC(C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00005721132","spectrum_index":5822},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180529-03!(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone [IIN-based: Match]","exact_mass":639.41,"inchikey":"MIZMDSVSLSIMSC-VYLWARHZSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":662.4002,"smiles":"CC(C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00005721133","spectrum_index":5823},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380723-01!(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":742.268,"inchikey":"FFDULTAFAQRACT-XKBSQSBASA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":760.3028,"smiles":"COC1=CC(=CC(OC)=C1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3OC[C@H]4[C@@H]3CO[C@@H]4C5=CC(OC)=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(OC)=C5","spectrum_id":"CCMSLIB00005721134","spectrum_index":5824},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169170-02!(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[(2E,6E,10E)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol [IIN-based on: CCMSLIB00000846068]","exact_mass":1084.53,"inchikey":"NFBYZSYLZUMCFV-JJRRTKJUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1102.5582,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](OC\\\\C(C)=C\\\\CC\\\\C(C)=C\\\\CC\\\\C(C)=C\\\\CCC(C)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721135","spectrum_index":5825},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169170-02!(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[(2E,6E,10E)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol [IIN-based: Match]","exact_mass":1084.53,"inchikey":"NFBYZSYLZUMCFV-JJRRTKJUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1085.5302,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](OC\\\\C(C)=C\\\\CC\\\\C(C)=C\\\\CC\\\\C(C)=C\\\\CCC(C)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721136","spectrum_index":5826},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169854-03!4,4-bis(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybutanoic acid [IIN-based on: CCMSLIB00000848743]","exact_mass":498.12,"inchikey":"DYFXVIVUWANJGN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1014.276,"smiles":"COC(CC(C1=C(O)C2=C(C=C(C)OC2=O)C=C1O)C3=C(O)C4=C(C=C(C)OC4=O)C=C3O)C(O)=O","spectrum_id":"CCMSLIB00005721137","spectrum_index":5827},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169854-03!4,4-bis(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybutanoic acid [IIN-based on: CCMSLIB00000848743]","exact_mass":498.12,"inchikey":"DYFXVIVUWANJGN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":997.2487,"smiles":"COC(CC(C1=C(O)C2=C(C=C(C)OC2=O)C=C1O)C3=C(O)C4=C(C=C(C)OC4=O)C=C3O)C(O)=O","spectrum_id":"CCMSLIB00005721138","spectrum_index":5828},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169854-03!4,4-bis(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybutanoic acid [IIN-based: Match]","exact_mass":498.12,"inchikey":"DYFXVIVUWANJGN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.1261,"smiles":"COC(CC(C1=C(O)C2=C(C=C(C)OC2=O)C=C1O)C3=C(O)C4=C(C=C(C)OC4=O)C=C3O)C(O)=O","spectrum_id":"CCMSLIB00005721139","spectrum_index":5829},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384809-01!5-[5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid [IIN-based on: CCMSLIB00000847959]","exact_mass":354.242,"inchikey":"VOCJFEUCJDTXSA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":709.4933,"smiles":"CC1CCC2(CO)C(CCC=C2C(O)=O)C1(C)CCC(CO)CCO","spectrum_id":"CCMSLIB00005721140","spectrum_index":5830},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384809-01!5-[5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid [IIN-based: Match]","exact_mass":354.242,"inchikey":"VOCJFEUCJDTXSA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":372.2754,"smiles":"CC1CCC2(CO)C(CCC=C2C(O)=O)C1(C)CCC(CO)CCO","spectrum_id":"CCMSLIB00005721141","spectrum_index":5831},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384810-01! [IIN-based on: CCMSLIB00000847964]","exact_mass":562.352,"inchikey":"JGUYJMIAKPTIAH-CPYUNXKESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1142.7393,"smiles":"CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3(O)C4C=C(C)C(=O)[C@@]4(O)[C@H](O)[C@@]5(CO)O[C@H]5[C@H]3[C@@H]1C2(C)C","spectrum_id":"CCMSLIB00005721142","spectrum_index":5832},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384810-01! [IIN-based on: CCMSLIB00000847964]","exact_mass":562.352,"inchikey":"JGUYJMIAKPTIAH-CPYUNXKESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1125.71,"smiles":"CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3(O)C4C=C(C)C(=O)[C@@]4(O)[C@H](O)[C@@]5(CO)O[C@H]5[C@H]3[C@@H]1C2(C)C","spectrum_id":"CCMSLIB00005721143","spectrum_index":5833},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384810-01! [IIN-based: Match]","exact_mass":562.352,"inchikey":"JGUYJMIAKPTIAH-CPYUNXKESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":585.3421,"smiles":"CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3(O)C4C=C(C)C(=O)[C@@]4(O)[C@H](O)[C@@]5(CO)O[C@H]5[C@H]3[C@@H]1C2(C)C","spectrum_id":"CCMSLIB00005721144","spectrum_index":5834},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347554-02!(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate [IIN-based on: CCMSLIB00000846337]","exact_mass":384.122,"inchikey":"AWCUZBLYCWUTRL-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.1293,"smiles":"OC1C=CC(OC(=O)C2=CC=CC=C2)C(O)C1(O)COC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005721145","spectrum_index":5835},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347554-02!(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate [IIN-based on: CCMSLIB00000846337]","exact_mass":384.122,"inchikey":"AWCUZBLYCWUTRL-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":786.2767,"smiles":"OC1C=CC(OC(=O)C2=CC=CC=C2)C(O)C1(O)COC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005721146","spectrum_index":5836},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347554-02!(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate [IIN-based on: CCMSLIB00000846337]","exact_mass":384.122,"inchikey":"AWCUZBLYCWUTRL-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.1188,"smiles":"OC1C=CC(OC(=O)C2=CC=CC=C2)C(O)C1(O)COC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005721147","spectrum_index":5837},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347554-02!(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate [IIN-based: Match]","exact_mass":384.122,"inchikey":"AWCUZBLYCWUTRL-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.156,"smiles":"OC1C=CC(OC(=O)C2=CC=CC=C2)C(O)C1(O)COC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005721148","spectrum_index":5838},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380570-01![(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-phenylprop-2-enoate [IIN-based: Match]","exact_mass":586.206,"inchikey":"OWWJIYCJJLVSON-DQLSKFBESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":569.2022,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)\\\\C=C\\\\C3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](OC(=O)\\\\C=C\\\\C4=CC=CC=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721149","spectrum_index":5839},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380570-01![(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-phenylprop-2-enoate [IIN-based on: CCMSLIB00000846346]","exact_mass":586.206,"inchikey":"OWWJIYCJJLVSON-DQLSKFBESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":587.2127,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)\\\\C=C\\\\C3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](OC(=O)\\\\C=C\\\\C4=CC=CC=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721150","spectrum_index":5840},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380570-01![(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-phenylprop-2-enoate [IIN-based on: CCMSLIB00000846346]","exact_mass":586.206,"inchikey":"OWWJIYCJJLVSON-DQLSKFBESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":604.2394,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)\\\\C=C\\\\C3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](OC(=O)\\\\C=C\\\\C4=CC=CC=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721151","spectrum_index":5841},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347405-02!(4S,5Z,6S)-5-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethylidene]-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid [IIN-based: Match]","exact_mass":566.165,"inchikey":"MGEVYVDQMTWJNV-HOPHSATRSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":567.1702,"smiles":"COC(=O)C[C@H]1\\\\C(=C\\\\COC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(O)=O","spectrum_id":"CCMSLIB00005721152","spectrum_index":5842},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180821-02!(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one [IIN-based on: CCMSLIB00000846589]","exact_mass":358.141,"inchikey":"TVKGYMYAOVADOP-SOFGYWHQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.1305,"smiles":"COC1=CC(OC)=C(C(=O)\\\\C=C\\\\C2=CC(OC)=C(OC)C=C2)C(OC)=C1","spectrum_id":"CCMSLIB00005721153","spectrum_index":5843},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180821-02!(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one [IIN-based on: CCMSLIB00000846589]","exact_mass":358.141,"inchikey":"TVKGYMYAOVADOP-SOFGYWHQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":739.2714,"smiles":"COC1=CC(OC)=C(C(=O)\\\\C=C\\\\C2=CC(OC)=C(OC)C=C2)C(OC)=C1","spectrum_id":"CCMSLIB00005721154","spectrum_index":5844},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180821-02!(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one [IIN-based: Match]","exact_mass":358.141,"inchikey":"TVKGYMYAOVADOP-SOFGYWHQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.1487,"smiles":"COC1=CC(OC)=C(C(=O)\\\\C=C\\\\C2=CC(OC)=C(OC)C=C2)C(OC)=C1","spectrum_id":"CCMSLIB00005721155","spectrum_index":5845},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347754-02!(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate [IIN-based: Match]","exact_mass":398.139,"inchikey":"HITZIDGSAVZVQH-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":416.1727,"smiles":"COC1C=C(COC(=O)C2=CC=CC=C2)C(O)C(OC(=O)C3=CC=CC=C3)C1O","spectrum_id":"CCMSLIB00005721156","spectrum_index":5846},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380450-01!6-[2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5,7-dimethoxychromen-2-one [IIN-based: Match]","exact_mass":470.177,"inchikey":"YVMUBJPWZKUGBC-NUTNSJPXSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.1845,"smiles":"COC1=C(CC(O)C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(OC)=C3C=CC(=O)OC3=C1","spectrum_id":"CCMSLIB00005721157","spectrum_index":5847},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380523-01![3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based: Match]","exact_mass":416.148,"inchikey":"QUSMURJIBTWAOP-WUXMJOGZSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.1819,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC(OC(=O)C(\\\\C)=C\\\\C)C(C)(C)O)C3=C1C=CO3","spectrum_id":"CCMSLIB00005721158","spectrum_index":5848},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380523-01![3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848266]","exact_mass":416.148,"inchikey":"QUSMURJIBTWAOP-WUXMJOGZSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":833.3024,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC(OC(=O)C(\\\\C)=C\\\\C)C(C)(C)O)C3=C1C=CO3","spectrum_id":"CCMSLIB00005721159","spectrum_index":5849},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380516-01![12-hydroxy-6-(hydroxymethyl)-10-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienyl] acetate [IIN-based: Match]","exact_mass":364.262,"inchikey":"GFDOSVZSTRYXMK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.2697,"smiles":"CC(=O)OCC(CCC=C(C)C)=CCCC(CO)=CCCC(C)=CCO","spectrum_id":"CCMSLIB00005721160","spectrum_index":5850},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347686-02!N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-14-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide [IIN-based: Match]","exact_mass":717.33,"inchikey":"JXJRJDNSPWNZOK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":718.3373,"smiles":"CC(=O)N(O)CCCC1NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CCCN(O)C(C)=O)NC1=O","spectrum_id":"CCMSLIB00005721161","spectrum_index":5851},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380521-01!5-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid [IIN-based: Match]","exact_mass":754.233,"inchikey":"VUXVICJLLYFORC-FQRWNCDPSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":772.2656,"smiles":"COC1=C(O)C=CC(=C1)C2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](COC(=O)CC(C)(O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C3O2","spectrum_id":"CCMSLIB00005721162","spectrum_index":5852},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380521-01!5-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid [IIN-based on: CCMSLIB00000848270]","exact_mass":754.233,"inchikey":"VUXVICJLLYFORC-FQRWNCDPSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1509.474,"smiles":"COC1=C(O)C=CC(=C1)C2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](COC(=O)CC(C)(O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C3O2","spectrum_id":"CCMSLIB00005721163","spectrum_index":5853},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385245-01!(2E,4E,14E)-15-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pentadeca-2,4,14-trienamide [IIN-based: Match]","exact_mass":411.277,"inchikey":"DRMOIHOBUYFDKF-HMZUNPFJSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":412.2842,"smiles":"CC(C)CNC(=O)\\\\C=C\\\\C=C\\\\CCCCCCCC\\\\C=C\\\\C1=CC2=C(OCO2)C=C1","spectrum_id":"CCMSLIB00005721164","spectrum_index":5854},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169650-03!5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one [IIN-based: Match]","exact_mass":564.15,"inchikey":"OVMFOVNOXASTPA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.157,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C3OC(=CC(=O)C3=C(O)C(C4OCC(O)C(O)C4O)=C2O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00005721165","spectrum_index":5855},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169650-03!5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one [IIN-based on: CCMSLIB00000848866]","exact_mass":564.15,"inchikey":"OVMFOVNOXASTPA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1129.3033,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C3OC(=CC(=O)C3=C(O)C(C4OCC(O)C(O)C4O)=C2O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00005721166","spectrum_index":5856},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169514-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one [IIN-based on: CCMSLIB00000848859]","exact_mass":350.248,"inchikey":"AIULWNKTYPZYAN-GOSISDBHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":701.5024,"smiles":"CCCCCCCCC[C@@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00005721167","spectrum_index":5857},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169514-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one [IIN-based on: CCMSLIB00000848859]","exact_mass":350.248,"inchikey":"AIULWNKTYPZYAN-GOSISDBHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":718.5295,"smiles":"CCCCCCCCC[C@@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00005721168","spectrum_index":5858},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169514-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one [IIN-based: Match]","exact_mass":350.248,"inchikey":"AIULWNKTYPZYAN-GOSISDBHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":368.2805,"smiles":"CCCCCCCCC[C@@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00005721169","spectrum_index":5859},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169514-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one [IIN-based on: CCMSLIB00000848859]","exact_mass":350.248,"inchikey":"AIULWNKTYPZYAN-GOSISDBHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.2546,"smiles":"CCCCCCCCC[C@@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00005721170","spectrum_index":5860},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385240-01!9-(4-hydroxy-3,5-dimethoxyphenyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one [IIN-based: Match]","exact_mass":562.172,"inchikey":"HUCNZRPYZDCCEF-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.1776,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)CC4=C(OC5OC(CO)C(O)C(O)C5O)C6=C(OCO6)C=C24","spectrum_id":"CCMSLIB00005721171","spectrum_index":5861},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385240-01!9-(4-hydroxy-3,5-dimethoxyphenyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000848864]","exact_mass":562.172,"inchikey":"HUCNZRPYZDCCEF-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1142.3753,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)CC4=C(OC5OC(CO)C(O)C(O)C5O)C6=C(OCO6)C=C24","spectrum_id":"CCMSLIB00005721172","spectrum_index":5862},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347790-02!2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid [IIN-based: Match]","exact_mass":709.443,"inchikey":"IOMBMOCSWVAYQU-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":692.4392,"smiles":"CC(O)(CC(=O)NCC(O)=O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C4(C)C(CCC34C)C(CO)CCC(O)C(C)(C)O)C1(C)C","spectrum_id":"CCMSLIB00005721173","spectrum_index":5863},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179823-03![14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate [IIN-based: Match]","exact_mass":900.44,"inchikey":"PKZLCDIEFSFXDK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":918.4738,"smiles":"COC1CC(OC2CCC3(C)C(CCC4C3CCC5(C)C(C(CC45O)OC(C)=O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00005721174","spectrum_index":5864},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00179823-03![14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate [IIN-based on: CCMSLIB00000846326]","exact_mass":900.44,"inchikey":"PKZLCDIEFSFXDK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":470.2007,"smiles":"COC1CC(OC2CCC3(C)C(CCC4C3CCC5(C)C(C(CC45O)OC(C)=O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00005721175","spectrum_index":5865},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385836-01!3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid [IIN-based: Match]","exact_mass":550.096,"inchikey":"NBQPHANHNTWDML-UJKBSQBPSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.1025,"smiles":"O[C@H]1[C@H](O)[C@@H](O)[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C=C4)O[C@@H]1COC(=O)CC(O)=O","spectrum_id":"CCMSLIB00005721176","spectrum_index":5866},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385836-01!3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid [IIN-based on: CCMSLIB00000846043]","exact_mass":550.096,"inchikey":"NBQPHANHNTWDML-UJKBSQBPSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1101.1979,"smiles":"O[C@H]1[C@H](O)[C@@H](O)[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C=C4)O[C@@H]1COC(=O)CC(O)=O","spectrum_id":"CCMSLIB00005721177","spectrum_index":5867},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385604-02!5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one [IIN-based: Match]","exact_mass":594.16,"inchikey":"FIAAVMJLAGNUKW-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.1672,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C4OC(=CC(=O)C4=C2O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00005721178","spectrum_index":5868},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386047-01!3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one [IIN-based: Match]","exact_mass":448.102,"inchikey":"YPWHZCPMOQGCDQ-WNZLTNKYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.1089,"smiles":"OC[C@H]1O[C@H](OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721179","spectrum_index":5869},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384698-01![(6R)-6-hydroxy-6-[(2S,8S,9R,10R,13R,14S,16R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxoheptan-2-yl] acetate [IIN-based: Match]","exact_mass":722.391,"inchikey":"KSENPDOZJGRJHR-SSCDAPBNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":740.4255,"smiles":"CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00005721180","spectrum_index":5870},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384697-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate [IIN-based: Match]","exact_mass":624.15,"inchikey":"QZONBCFTKCIUKE-MFSLTXMHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":642.1849,"smiles":"O[C@@H]1[C@@H](COC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)O[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC(=O)\\\\C=C\\\\C4=CC=C(O)C=C4)[C@H]1O","spectrum_id":"CCMSLIB00005721181","spectrum_index":5871},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384704-01![(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [IIN-based: Match]","exact_mass":610.192,"inchikey":"GNDDBOHLMOANGU-TYGLCWKWSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":628.2268,"smiles":"O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](OCCC3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)\\\\C=C\\\\C4=CC(O)=C(O)C=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721182","spectrum_index":5872},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380638-01! [IIN-based: Match]","exact_mass":372.039,"inchikey":"POXKBPUNCDMQMW-YLVJLNSGSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.0472,"smiles":"COC1=C2[C@H]3C=CO[C@H]3OC2=CC4=C1C(=O)C5=C(OC)C(Cl)=CC=C5O4","spectrum_id":"CCMSLIB00005721183","spectrum_index":5873},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380638-01! [IIN-based on: CCMSLIB00000848040]","exact_mass":372.039,"inchikey":"POXKBPUNCDMQMW-YLVJLNSGSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":767.0679,"smiles":"COC1=C2[C@H]3C=CO[C@H]3OC2=CC4=C1C(=O)C5=C(OC)C(Cl)=CC=C5O4","spectrum_id":"CCMSLIB00005721184","spectrum_index":5874},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385715-01! [IIN-based: Match]","exact_mass":844.482,"inchikey":"NUJWBDOJBSCJEG-APIXVDCNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":827.4799,"smiles":"C[C@H](CC[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C)[C@H]2CC[C@@]3(C)[C@@H]4CCC5[C@]6(C[C@@]46CC[C@]23C)[C@@H](O)C[C@H](O)[C@@]5(C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00005721185","spectrum_index":5875},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169461-03![(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000847228]","exact_mass":770.263,"inchikey":"YMWRMAOPKNYHMZ-LLVTZOIGSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":771.2696,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]2OC(=O)\\\\C=C\\\\C5=CC(O)=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721186","spectrum_index":5876},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169461-03![(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [IIN-based: Match]","exact_mass":770.263,"inchikey":"YMWRMAOPKNYHMZ-LLVTZOIGSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":788.296,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]2OC(=O)\\\\C=C\\\\C5=CC(O)=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721187","spectrum_index":5877},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385853-01!4-methoxy-2H-isoquinolin-1-one [IIN-based: Match]","exact_mass":175.063,"inchikey":"ITVVDKFBWYVGPV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":176.0702,"smiles":"COC1=CNC(=O)C2=CC=CC=C12","spectrum_id":"CCMSLIB00005721188","spectrum_index":5878},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179744-02!(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847202]","exact_mass":230.116,"inchikey":"YLHOHANRUSKHKO-YWVKMMECSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.2392,"smiles":"CCC[C@@H](O)[C@H](O)[C@@H]1CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005721189","spectrum_index":5879},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179744-02!(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847202]","exact_mass":230.116,"inchikey":"YLHOHANRUSKHKO-YWVKMMECSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.1049,"smiles":"CCC[C@@H](O)[C@H](O)[C@@H]1CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005721190","spectrum_index":5880},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179744-02!(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]","exact_mass":230.116,"inchikey":"YLHOHANRUSKHKO-YWVKMMECSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":248.1495,"smiles":"CCC[C@@H](O)[C@H](O)[C@@H]1CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005721191","spectrum_index":5881},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180261-02!1,11,21-trihydroxy-1,6,11,16,21,26-hexazacyclohentriacontane-2,5,12,15,22,25-hexone [IIN-based: Match]","exact_mass":572.317,"inchikey":"YEUGMACLLZSLDG-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":573.3255,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00005721192","spectrum_index":5882},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380646-01!(E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid [IIN-based: Match]","exact_mass":266.115,"inchikey":"MPAYQRIVOSEDQH-WEVVVXLNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.1486,"smiles":"COC1=C(C)C(=O)OC(=C1)C(\\\\C)=C\\\\C(C)CC(O)=O","spectrum_id":"CCMSLIB00005721193","spectrum_index":5883},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380646-01!(E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid [IIN-based on: CCMSLIB00000845558]","exact_mass":266.115,"inchikey":"MPAYQRIVOSEDQH-WEVVVXLNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":555.2193,"smiles":"COC1=C(C)C(=O)OC(=C1)C(\\\\C)=C\\\\C(C)CC(O)=O","spectrum_id":"CCMSLIB00005721194","spectrum_index":5884},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380646-01!(E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid [IIN-based on: CCMSLIB00000845558]","exact_mass":266.115,"inchikey":"MPAYQRIVOSEDQH-WEVVVXLNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":550.2639,"smiles":"COC1=C(C)C(=O)OC(=C1)C(\\\\C)=C\\\\C(C)CC(O)=O","spectrum_id":"CCMSLIB00005721195","spectrum_index":5885},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385681-01![2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate [IIN-based on: CCMSLIB00000845895]","exact_mass":378.17,"inchikey":"WPJFTNISWIMPLM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":774.375,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(OC(=O)CC(C)C)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00005721196","spectrum_index":5886},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385681-01![2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate [IIN-based: Match]","exact_mass":378.17,"inchikey":"WPJFTNISWIMPLM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.1775,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(OC(=O)CC(C)C)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00005721197","spectrum_index":5887},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384725-01![(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] acetate [IIN-based: Match]","exact_mass":542.164,"inchikey":"OCZMYDFOSNDPTJ-NOPQWDQOSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.1726,"smiles":"COC1=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](OC(C)=O)[C@H]2O)C=C4OC(=O)C=CC4=C1","spectrum_id":"CCMSLIB00005721198","spectrum_index":5888},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384714-01!(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol [IIN-based: Match]","exact_mass":726.276,"inchikey":"IZSBMDHDBLUZOI-ITDRTIBASA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":744.3111,"smiles":"COC1=CC(=CC(OC)=C1O)C2OCC3C2COC3C4=CC(OC)=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(OC)=C4","spectrum_id":"CCMSLIB00005721199","spectrum_index":5889},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180706-02!(2R,3R,4S,5S,6R)-2-[[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":582.234,"inchikey":"PACBNJFGEWTGCE-OVYNBQGTSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":600.2679,"smiles":"COC1=CC(=CC(OC)=C1O)C2C(CO)C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC4=C2C(OC)=C(O)C(OC)=C4","spectrum_id":"CCMSLIB00005721200","spectrum_index":5890},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385827-01!7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848159]","exact_mass":382.214,"inchikey":"FCWYNTDTQPCVPG-UQWVPHONSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":782.4608,"smiles":"CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H](COC3=CC=C4C=CC(=O)OC4=C3)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00005721201","spectrum_index":5891},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385827-01!7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848159]","exact_mass":382.214,"inchikey":"FCWYNTDTQPCVPG-UQWVPHONSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.2105,"smiles":"CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H](COC3=CC=C4C=CC(=O)OC4=C3)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00005721202","spectrum_index":5892},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385827-01!7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848159]","exact_mass":382.214,"inchikey":"FCWYNTDTQPCVPG-UQWVPHONSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":787.4169,"smiles":"CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H](COC3=CC=C4C=CC(=O)OC4=C3)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00005721203","spectrum_index":5893},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385827-01!7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based: Match]","exact_mass":382.214,"inchikey":"FCWYNTDTQPCVPG-UQWVPHONSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.2478,"smiles":"CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H](COC3=CC=C4C=CC(=O)OC4=C3)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00005721204","spectrum_index":5894},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385827-01!7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848159]","exact_mass":382.214,"inchikey":"FCWYNTDTQPCVPG-UQWVPHONSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.2212,"smiles":"CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H](COC3=CC=C4C=CC(=O)OC4=C3)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00005721205","spectrum_index":5895},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385832-01!5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one [IIN-based: Match]","exact_mass":594.158,"inchikey":"ISNRVVKKHPECQN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.1646,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C4OC=C(C(=O)C4=C2O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00005721206","spectrum_index":5896},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385821-01!(3R,5R)-4-(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid [IIN-based on: CCMSLIB00000848162]","exact_mass":660.167,"inchikey":"OOGPWQHGQYUIAW-KDGFOEJISA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1321.3421,"smiles":"CC(O)(CC(O)=O)CC(=O)O[C@@H]1[C@@H](C[C@](O)(C[C@H]1OC(=O)\\\\C=C\\\\C2=CC=C(O)C(O)=C2)C(O)=O)OC(=O)\\\\C=C\\\\C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00005721207","spectrum_index":5897},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385821-01!(3R,5R)-4-(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid [IIN-based: Match]","exact_mass":660.167,"inchikey":"OOGPWQHGQYUIAW-KDGFOEJISA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":661.1739,"smiles":"CC(O)(CC(O)=O)CC(=O)O[C@@H]1[C@@H](C[C@](O)(C[C@H]1OC(=O)\\\\C=C\\\\C2=CC=C(O)C(O)=C2)C(O)=O)OC(=O)\\\\C=C\\\\C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00005721208","spectrum_index":5898},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380093-01!methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate [IIN-based on: CCMSLIB00000848585]","exact_mass":388.137,"inchikey":"CSKKDSFETGLMSB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":794.3061,"smiles":"COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC=O","spectrum_id":"CCMSLIB00005721209","spectrum_index":5899},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380093-01!methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate [IIN-based: Match]","exact_mass":388.137,"inchikey":"CSKKDSFETGLMSB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.1447,"smiles":"COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC=O","spectrum_id":"CCMSLIB00005721210","spectrum_index":5900},{"adduct":"[2M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380093-01!methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate [IIN-based on: CCMSLIB00000848585]","exact_mass":388.137,"inchikey":"CSKKDSFETGLMSB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":759.2696,"smiles":"COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC=O","spectrum_id":"CCMSLIB00005721211","spectrum_index":5901},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380532-01![4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3-acetyloxy-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanoate [IIN-based on: CCMSLIB00000848587]","exact_mass":536.192,"inchikey":"OCPITUSJSRGORS-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1090.4174,"smiles":"CC(OC(C)=O)C(O)(CC1=CC=C(O)C=C1)C(=O)OCC2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2","spectrum_id":"CCMSLIB00005721212","spectrum_index":5902},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380532-01![4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3-acetyloxy-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanoate [IIN-based: Match]","exact_mass":536.192,"inchikey":"OCPITUSJSRGORS-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.1885,"smiles":"CC(OC(C)=O)C(O)(CC1=CC=C(O)C=C1)C(=O)OCC2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2","spectrum_id":"CCMSLIB00005721213","spectrum_index":5903},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385098-01![8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate [IIN-based: Match]","exact_mass":426.167,"inchikey":"UHWIZIJICYWABA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.2007,"smiles":"CC(C)=CC(=O)OC1C(OC(=O)C=C(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005721214","spectrum_index":5904},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169964-06!4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione [IIN-based: Match]","exact_mass":281.163,"inchikey":"YPHMISFOHDHNIV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.1698,"smiles":"CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2","spectrum_id":"CCMSLIB00005721215","spectrum_index":5905},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381299-01!5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000848891]","exact_mass":380.201,"inchikey":"LMEKIDFKWUPZGE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":761.4098,"smiles":"CC(C)(C=C)C1=CC2=C(OC1=O)C(=C3OC(C)(C)C=CC3=C2O)C(C)(C)C=C","spectrum_id":"CCMSLIB00005721216","spectrum_index":5906},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381299-01!5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based: Match]","exact_mass":380.201,"inchikey":"LMEKIDFKWUPZGE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.2073,"smiles":"CC(C)(C=C)C1=CC2=C(OC1=O)C(=C3OC(C)(C)C=CC3=C2O)C(C)(C)C=C","spectrum_id":"CCMSLIB00005721217","spectrum_index":5907},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381296-01![2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]","exact_mass":398.138,"inchikey":"JLSIEPYLSSNFSK-PWHKKFIBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.1452,"smiles":"COC1=CC=C(\\\\C=C\\\\C(=O)OCC(O)COC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00005721218","spectrum_index":5908},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381296-01![2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000848892]","exact_mass":398.138,"inchikey":"JLSIEPYLSSNFSK-PWHKKFIBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.1349,"smiles":"COC1=CC=C(\\\\C=C\\\\C(=O)OCC(O)COC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00005721219","spectrum_index":5909},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381296-01![2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000848892]","exact_mass":398.138,"inchikey":"JLSIEPYLSSNFSK-PWHKKFIBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":814.3096,"smiles":"COC1=CC=C(\\\\C=C\\\\C(=O)OCC(O)COC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00005721220","spectrum_index":5910},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380102-01!3-hexadecyl-4-methoxy-5-methyloxolan-2-one [IIN-based on: CCMSLIB00000848515]","exact_mass":354.313,"inchikey":"DJNFXUFERDZHCD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":731.6151,"smiles":"CCCCCCCCCCCCCCCCC1C(OC)C(C)OC1=O","spectrum_id":"CCMSLIB00005721221","spectrum_index":5911},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380102-01!3-hexadecyl-4-methoxy-5-methyloxolan-2-one [IIN-based on: CCMSLIB00000848515]","exact_mass":354.313,"inchikey":"DJNFXUFERDZHCD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":726.66,"smiles":"CCCCCCCCCCCCCCCCC1C(OC)C(C)OC1=O","spectrum_id":"CCMSLIB00005721222","spectrum_index":5912},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380102-01!3-hexadecyl-4-methoxy-5-methyloxolan-2-one [IIN-based: Match]","exact_mass":354.313,"inchikey":"DJNFXUFERDZHCD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":372.3474,"smiles":"CCCCCCCCCCCCCCCCC1C(OC)C(C)OC1=O","spectrum_id":"CCMSLIB00005721223","spectrum_index":5913},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347609-02!9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":318.111,"inchikey":"CRAONLIHLOSKGE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.1074,"smiles":"COC1=C2C=COC2=C(CC(O)C(C)(C)O)C3=C1C=CC(=O)O3","spectrum_id":"CCMSLIB00005721224","spectrum_index":5914},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347609-02!9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848055]","exact_mass":318.111,"inchikey":"CRAONLIHLOSKGE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":654.2567,"smiles":"COC1=C2C=COC2=C(CC(O)C(C)(C)O)C3=C1C=CC(=O)O3","spectrum_id":"CCMSLIB00005721225","spectrum_index":5915},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384712-01!9-[(E)-3-hydroxy-3-methylbut-1-enyl]furo[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":270.09,"inchikey":"YCWBXVBPBPUAQF-FNORWQNLSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.1238,"smiles":"CC(C)(O)\\\\C=C\\\\C1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005721226","spectrum_index":5916},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384712-01!9-[(E)-3-hydroxy-3-methylbut-1-enyl]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848051]","exact_mass":270.09,"inchikey":"YCWBXVBPBPUAQF-FNORWQNLSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.0866,"smiles":"CC(C)(O)\\\\C=C\\\\C1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005721227","spectrum_index":5917},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384731-01!(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid [IIN-based: Match]","exact_mass":338.101,"inchikey":"BMRSEYFENKXDIS-OTCYKTEZSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.1079,"smiles":"O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00005721228","spectrum_index":5918},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381301-01![6-acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate [IIN-based: Match]","exact_mass":526.279,"inchikey":"DCZPAFXGNAJXHQ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":544.3139,"smiles":"CC(C)CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1CC(OC(C)=O)C2(O)COC(=O)CC(C)C","spectrum_id":"CCMSLIB00005721229","spectrum_index":5919},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381302-01![5-(3-acetyloxy-4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-[4-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-4-hydroxy-6-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]","exact_mass":1032.35,"inchikey":"ZCDMPZRGEBDHMG-MHWRWJLKSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1033.3542,"smiles":"CC1OC(OC2C(O)C(O)COC2C3=C(O)C(C(=O)CCC4=CC=C(O)C=C4)=C(OC5OC(C)C(OC6OC(C)C(O)C(O)C6OC(C)=O)C(O)C5OC(=O)\\\\C=C\\\\C7=CC=C(O)C=C7)C=C3O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005721230","spectrum_index":5920},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016425-09!6,7-dihydroxychromen-2-one [IIN-based: Match]","exact_mass":178.026,"inchikey":"ILEDWLMCKZNDJK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":179.0334,"smiles":"OC1=C(O)C=C2C=CC(=O)OC2=C1","spectrum_id":"CCMSLIB00005721231","spectrum_index":5921},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016425-09!6,7-dihydroxychromen-2-one [IIN-based on: CCMSLIB00000845335]","exact_mass":178.026,"inchikey":"ILEDWLMCKZNDJK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.0423,"smiles":"OC1=C(O)C=C2C=CC(=O)OC2=C1","spectrum_id":"CCMSLIB00005721232","spectrum_index":5922},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384522-01! [IIN-based: Match]","exact_mass":358.144,"inchikey":"FTPHYXGWMIZVMP-UGZAWPFQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.1506,"smiles":"C\\\\C=C(\\\\C)C(=O)O[C@H]1CC2=CC(C\\\\C(C)=C\\\\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O","spectrum_id":"CCMSLIB00005721233","spectrum_index":5923},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384522-01! [IIN-based on: CCMSLIB00000848853]","exact_mass":358.144,"inchikey":"FTPHYXGWMIZVMP-UGZAWPFQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":734.3196,"smiles":"C\\\\C=C(\\\\C)C(=O)O[C@H]1CC2=CC(C\\\\C(C)=C\\\\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O","spectrum_id":"CCMSLIB00005721234","spectrum_index":5924},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384688-01! [IIN-based: Match]","exact_mass":426.134,"inchikey":"XIEXZMWPZITEKI-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.1307,"smiles":"COC1=CC2=C(C=C1OC)C3(O)C(OC4=C5CC(OC5=CC=C4C3=O)C(C)=C)C(O)O2","spectrum_id":"CCMSLIB00005721235","spectrum_index":5925},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384688-01! [IIN-based on: CCMSLIB00000848856]","exact_mass":426.134,"inchikey":"XIEXZMWPZITEKI-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":870.3013,"smiles":"COC1=CC2=C(C=C1OC)C3(O)C(OC4=C5CC(OC5=CC=C4C3=O)C(C)=C)C(O)O2","spectrum_id":"CCMSLIB00005721236","spectrum_index":5926},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384688-01! [IIN-based on: CCMSLIB00000848856]","exact_mass":426.134,"inchikey":"XIEXZMWPZITEKI-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.1201,"smiles":"COC1=CC2=C(C=C1OC)C3(O)C(OC4=C5CC(OC5=CC=C4C3=O)C(C)=C)C(O)O2","spectrum_id":"CCMSLIB00005721237","spectrum_index":5927},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384747-01!9-methoxy-4-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":284.106,"inchikey":"IFAIUWDLBBYPMZ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.1138,"smiles":"COC1=C2OC(=O)C=CC2=C(C3=C1OC=C3)C(C)(C)C=C","spectrum_id":"CCMSLIB00005721238","spectrum_index":5928},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384747-01!9-methoxy-4-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847577]","exact_mass":284.106,"inchikey":"IFAIUWDLBBYPMZ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":569.2186,"smiles":"COC1=C2OC(=O)C=CC2=C(C3=C1OC=C3)C(C)(C)C=C","spectrum_id":"CCMSLIB00005721239","spectrum_index":5929},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347590-02!9,11,12a-trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one [IIN-based: Match]","exact_mass":428.15,"inchikey":"LAUJMTGOOIBBOB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.1404,"smiles":"COC1=CC2=C(C=C1OC)C3(O)C(CO2)OC4=C(CC=C(C)C)C(O)=CC(O)=C4C3=O","spectrum_id":"CCMSLIB00005721240","spectrum_index":5930},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347590-02!9,11,12a-trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one [IIN-based on: CCMSLIB00000847582]","exact_mass":428.15,"inchikey":"LAUJMTGOOIBBOB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.1451,"smiles":"COC1=CC2=C(C=C1OC)C3(O)C(CO2)OC4=C(CC=C(C)C)C(O)=CC(O)=C4C3=O","spectrum_id":"CCMSLIB00005721241","spectrum_index":5931},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347590-02!9,11,12a-trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one [IIN-based on: CCMSLIB00000847582]","exact_mass":428.15,"inchikey":"LAUJMTGOOIBBOB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":874.3316,"smiles":"COC1=CC2=C(C=C1OC)C3(O)C(CO2)OC4=C(CC=C(C)C)C(O)=CC(O)=C4C3=O","spectrum_id":"CCMSLIB00005721242","spectrum_index":5932},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384721-01!(3aR,6R,7aR)-6-methyl-3-methylidene-6-(4-oxopentyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione [IIN-based: Match]","exact_mass":264.137,"inchikey":"MIRSLSRVCIOISZ-LALPHHSUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.144,"smiles":"CC(=O)CCC[C@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2CC1=O","spectrum_id":"CCMSLIB00005721243","spectrum_index":5933},{"adduct":"[4M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00384721-01!(3aR,6R,7aR)-6-methyl-3-methylidene-6-(4-oxopentyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione [IIN-based on: CCMSLIB00000847575]","exact_mass":264.137,"inchikey":"MIRSLSRVCIOISZ-LALPHHSUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":548.2557,"smiles":"CC(=O)CCC[C@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2CC1=O","spectrum_id":"CCMSLIB00005721244","spectrum_index":5934},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384721-01!(3aR,6R,7aR)-6-methyl-3-methylidene-6-(4-oxopentyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione [IIN-based on: CCMSLIB00000847575]","exact_mass":264.137,"inchikey":"MIRSLSRVCIOISZ-LALPHHSUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.2626,"smiles":"CC(=O)CCC[C@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2CC1=O","spectrum_id":"CCMSLIB00005721245","spectrum_index":5935},{"adduct":"[3M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00384721-01!(3aR,6R,7aR)-6-methyl-3-methylidene-6-(4-oxopentyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione [IIN-based on: CCMSLIB00000847575]","exact_mass":264.137,"inchikey":"MIRSLSRVCIOISZ-LALPHHSUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":416.1859,"smiles":"CC(=O)CCC[C@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2CC1=O","spectrum_id":"CCMSLIB00005721246","spectrum_index":5936},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384749-01!2-[[5-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":582.234,"inchikey":"MLMDACHSXKCQIF-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":600.2673,"smiles":"COC1=CC(=CC(OC)=C1O)C2C(CO)C(CO)CC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O)=C(OC)C=C23","spectrum_id":"CCMSLIB00005721247","spectrum_index":5937},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380504-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one [IIN-based: Match]","exact_mass":456.128,"inchikey":"SXPBJYHKMRWZNA-ZITSYKRSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.1154,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OC3=CC=C4C=CC(=O)OC4=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00005721248","spectrum_index":5938},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380504-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one [IIN-based on: CCMSLIB00000845708]","exact_mass":456.128,"inchikey":"SXPBJYHKMRWZNA-ZITSYKRSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":930.2882,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OC3=CC=C4C=CC(=O)OC4=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00005721249","spectrum_index":5939},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380504-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one [IIN-based on: CCMSLIB00000845708]","exact_mass":456.128,"inchikey":"SXPBJYHKMRWZNA-ZITSYKRSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.1338,"smiles":"OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OC3=CC=C4C=CC(=O)OC4=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O","spectrum_id":"CCMSLIB00005721250","spectrum_index":5940},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380399-01!5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-(1,2,6-trimethyl-5-oxocyclohex-3-en-1-yl)penta-2,4-dienyl]benzaldehyde [IIN-based: Match]","exact_mass":402.159,"inchikey":"ZLAQYJKDQSZARB-OGCXVWDESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":420.1921,"smiles":"CC1C=CC(=O)C(C)C1(C)\\\\C=C\\\\C(C)=C\\\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00005721251","spectrum_index":5941},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380399-01!5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-(1,2,6-trimethyl-5-oxocyclohex-3-en-1-yl)penta-2,4-dienyl]benzaldehyde [IIN-based on: CCMSLIB00000845695]","exact_mass":402.159,"inchikey":"ZLAQYJKDQSZARB-OGCXVWDESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.1662,"smiles":"CC1C=CC(=O)C(C)C1(C)\\\\C=C\\\\C(C)=C\\\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00005721252","spectrum_index":5942},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180394-02!(2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]","exact_mass":214.12,"inchikey":"YFIMUDXPJZVJJO-UWVGGRQHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":232.154,"smiles":"CCCC[C@H](O)[C@@H]1CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005721253","spectrum_index":5943},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180394-02!(2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847722]","exact_mass":214.12,"inchikey":"YFIMUDXPJZVJJO-UWVGGRQHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.2305,"smiles":"CCCC[C@H](O)[C@@H]1CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005721254","spectrum_index":5944},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180394-02!(2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847722]","exact_mass":214.12,"inchikey":"YFIMUDXPJZVJJO-UWVGGRQHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.2485,"smiles":"CCCC[C@H](O)[C@@H]1CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005721255","spectrum_index":5945},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095546-02!2,4-dihydroxyheptadec-16-enyl acetate [IIN-based: Match]","exact_mass":328.264,"inchikey":"NLBYRERHXBTBBR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.2976,"smiles":"CC(=O)OCC(O)CC(O)CCCCCCCCCCCC=C","spectrum_id":"CCMSLIB00005721256","spectrum_index":5946},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095546-02!2,4-dihydroxyheptadec-16-enyl acetate [IIN-based on: CCMSLIB00000848387]","exact_mass":328.264,"inchikey":"NLBYRERHXBTBBR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":679.5178,"smiles":"CC(=O)OCC(O)CC(O)CCCCCCCCCCCC=C","spectrum_id":"CCMSLIB00005721257","spectrum_index":5947},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095546-02!2,4-dihydroxyheptadec-16-enyl acetate [IIN-based on: CCMSLIB00000848387]","exact_mass":328.264,"inchikey":"NLBYRERHXBTBBR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.2604,"smiles":"CC(=O)OCC(O)CC(O)CCCCCCCCCCCC=C","spectrum_id":"CCMSLIB00005721258","spectrum_index":5948},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179985-02![(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate [IIN-based on: CCMSLIB00000848381]","exact_mass":310.107,"inchikey":"CJGRGYBLAHPYOM-HOLMNUNMSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":638.2475,"smiles":"OC[C@H]1O[C@@H](OC(=O)\\\\C=C\\\\C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721259","spectrum_index":5949},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179985-02![(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate [IIN-based: Match]","exact_mass":310.107,"inchikey":"CJGRGYBLAHPYOM-HOLMNUNMSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.1136,"smiles":"OC[C@H]1O[C@@H](OC(=O)\\\\C=C\\\\C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721260","spectrum_index":5950},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179985-02![(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate [IIN-based on: CCMSLIB00000848381]","exact_mass":310.107,"inchikey":"CJGRGYBLAHPYOM-HOLMNUNMSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":643.2024,"smiles":"OC[C@H]1O[C@@H](OC(=O)\\\\C=C\\\\C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721261","spectrum_index":5951},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380108-01!(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid [IIN-based on: CCMSLIB00000847701]","exact_mass":284.163,"inchikey":"PVHUKALHRBPQNM-BSWSSELBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.1704,"smiles":"CCC\\\\C=C\\\\C=C\\\\C(CCC(=O)OC)C(CO)C(O)=O","spectrum_id":"CCMSLIB00005721262","spectrum_index":5952},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380108-01!(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid [IIN-based: Match]","exact_mass":284.163,"inchikey":"PVHUKALHRBPQNM-BSWSSELBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.1974,"smiles":"CCC\\\\C=C\\\\C=C\\\\C(CCC(=O)OC)C(CO)C(O)=O","spectrum_id":"CCMSLIB00005721263","spectrum_index":5953},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380108-01!(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid [IIN-based on: CCMSLIB00000847701]","exact_mass":284.163,"inchikey":"PVHUKALHRBPQNM-BSWSSELBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":591.3149,"smiles":"CCC\\\\C=C\\\\C=C\\\\C(CCC(=O)OC)C(CO)C(O)=O","spectrum_id":"CCMSLIB00005721264","spectrum_index":5954},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385833-01![(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate [IIN-based on: CCMSLIB00000848607]","exact_mass":442.09,"inchikey":"WKIHBIBUCQPPBY-NQIIRXRSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":885.1873,"smiles":"O[C@@H]1CC2=C(O)C=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2O[C@H]1C4=CC=C(O)C(O)=C4","spectrum_id":"CCMSLIB00005721265","spectrum_index":5955},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385833-01![(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate [IIN-based: Match]","exact_mass":442.09,"inchikey":"WKIHBIBUCQPPBY-NQIIRXRSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.0969,"smiles":"O[C@@H]1CC2=C(O)C=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2O[C@H]1C4=CC=C(O)C(O)=C4","spectrum_id":"CCMSLIB00005721266","spectrum_index":5956},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347364-02!4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol [IIN-based: Match]","exact_mass":344.164,"inchikey":"GMXMKSFJQLFOSO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.16,"smiles":"COC1=CC(=CC=C1O)C2OC(C(C)C2C)C3=CC=C(O)C(OC)=C3","spectrum_id":"CCMSLIB00005721267","spectrum_index":5957},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347364-02!4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol [IIN-based on: CCMSLIB00000847448]","exact_mass":344.164,"inchikey":"GMXMKSFJQLFOSO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":706.3628,"smiles":"COC1=CC(=CC=C1O)C2OC(C(C)C2C)C3=CC=C(O)C(OC)=C3","spectrum_id":"CCMSLIB00005721268","spectrum_index":5958},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168846-02!(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxybutanedioic acid [IIN-based: Match]","exact_mass":434.086,"inchikey":"ACYXDIZTQDLTCB-UVIKLTKHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.0935,"smiles":"OC(=O)[C@@H](OC(=O)\\\\C=C\\\\C1=CC(O)=C(O)C=C1)[C@](O)(CC2=CC(O)=C(O)C=C2)C(O)=O","spectrum_id":"CCMSLIB00005721269","spectrum_index":5959},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00096070-07!7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based: Match]","exact_mass":298.157,"inchikey":"RSDDHGSKLOSQFK-RVDMUPIBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.1641,"smiles":"CC(C)=CCC\\\\C(C)=C\\\\COC1=CC2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005721270","spectrum_index":5960},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00096070-07!7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based on: CCMSLIB00000849019]","exact_mass":298.157,"inchikey":"RSDDHGSKLOSQFK-RVDMUPIBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":597.3209,"smiles":"CC(C)=CCC\\\\C(C)=C\\\\COC1=CC2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005721271","spectrum_index":5961},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384759-01!5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methoxychromen-4-one [IIN-based: Match]","exact_mass":478.113,"inchikey":"VUGZODBTVLLVFQ-UKWZQOBBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.1201,"smiles":"COC1=C(OC2=CC(O)=CC(O)=C2C1=O)C3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(O)C=C3","spectrum_id":"CCMSLIB00005721272","spectrum_index":5962},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384841-01!2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":540.222,"inchikey":"NFUHNVZGHNEYRG-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.218,"smiles":"COC1=C(O)C=CC(=C1)C(O)C(CO)OC2=C(OC)C=C(CCCOC3OC(CO)C(O)C(O)C3O)C=C2","spectrum_id":"CCMSLIB00005721273","spectrum_index":5963},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384841-01!2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":540.223,"inchikey":"NFUHNVZGHNEYRG-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":558.2563,"smiles":"COC1=C(O)C=CC(=C1)C(O)C(CO)OC2=C(OC)C=C(CCCOC3OC(CO)C(O)C(O)C3O)C=C2","spectrum_id":"CCMSLIB00005721274","spectrum_index":5964},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384841-01!2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000849029]","exact_mass":540.223,"inchikey":"NFUHNVZGHNEYRG-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.2193,"smiles":"COC1=C(O)C=CC(=C1)C(O)C(CO)OC2=C(OC)C=C(CCCOC3OC(CO)C(O)C(O)C3O)C=C2","spectrum_id":"CCMSLIB00005721275","spectrum_index":5965},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168949-02!(2R,3R,4S,5S,6R)-2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":582.234,"inchikey":"PQQRNPDHSJDAGV-OVYNBQGTSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":600.2664,"smiles":"COC1=CC(=CC(OC)=C1O)C2C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(CO)CC4=C2C(OC)=C(O)C(OC)=C4","spectrum_id":"CCMSLIB00005721276","spectrum_index":5966},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380401-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one [IIN-based on: CCMSLIB00000845273]","exact_mass":418.199,"inchikey":"GPXPJKFETRLRAS-AHUKKWBBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":837.4052,"smiles":"CC[C@H]1O[C@@H]2O[C@H](\\\\C=C\\\\C=C\\\\C=C\\\\C3=C(C)C(OC)=CC(=O)O3)[C@H](O)[C@]2(C)[C@@]1(C)O","spectrum_id":"CCMSLIB00005721277","spectrum_index":5967},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380401-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one [IIN-based: Match]","exact_mass":418.199,"inchikey":"GPXPJKFETRLRAS-AHUKKWBBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":436.2324,"smiles":"CC[C@H]1O[C@@H]2O[C@H](\\\\C=C\\\\C=C\\\\C=C\\\\C3=C(C)C(OC)=CC(=O)O3)[C@H](O)[C@]2(C)[C@@]1(C)O","spectrum_id":"CCMSLIB00005721278","spectrum_index":5968},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380406-01!3-[(2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-5-yl)sulfanyl]-2-acetamidopropanoic acid [IIN-based on: CCMSLIB00000845277]","exact_mass":533.101,"inchikey":"WLQREUAHQSBKHB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":534.1071,"smiles":"CC(=O)NC(CSC1=CC2=C(C(=O)C3=CC=CC(O)=C3C2=O)C4(O)C(=O)C(O)C(C)(O)CC14O)C(O)=O","spectrum_id":"CCMSLIB00005721279","spectrum_index":5969},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380406-01!3-[(2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-5-yl)sulfanyl]-2-acetamidopropanoic acid [IIN-based: Match]","exact_mass":533.101,"inchikey":"WLQREUAHQSBKHB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.1342,"smiles":"CC(=O)NC(CSC1=CC2=C(C(=O)C3=CC=CC(O)=C3C2=O)C4(O)C(=O)C(O)C(C)(O)CC14O)C(O)=O","spectrum_id":"CCMSLIB00005721280","spectrum_index":5970},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384752-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":596.176,"inchikey":"KLDARLGFVGIIIL-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":597.1832,"smiles":"OCC1OC(C(O)C(O)C1O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C4OC(CC(=O)C4=C2O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00005721281","spectrum_index":5971},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169797-03![3,4,5-trihydroxy-6-[4-hydroxy-2-[(1,2,3,6-tetrahydroxycyclohexanecarbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate [IIN-based: Match]","exact_mass":580.178,"inchikey":"JMCVYQUHLKARLD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":598.2125,"smiles":"OC1CCC(O)C(O)(C1O)C(=O)OCC2=C(OC3OC(COC(=O)C4=CC=CC=C4)C(O)C(O)C3O)C=CC(O)=C2","spectrum_id":"CCMSLIB00005721282","spectrum_index":5972},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169797-03![3,4,5-trihydroxy-6-[4-hydroxy-2-[(1,2,3,6-tetrahydroxycyclohexanecarbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate [IIN-based on: CCMSLIB00000847537]","exact_mass":580.178,"inchikey":"JMCVYQUHLKARLD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1161.3603,"smiles":"OC1CCC(O)C(O)(C1O)C(=O)OCC2=C(OC3OC(COC(=O)C4=CC=CC=C4)C(O)C(O)C3O)C=CC(O)=C2","spectrum_id":"CCMSLIB00005721283","spectrum_index":5973},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169797-03![3,4,5-trihydroxy-6-[4-hydroxy-2-[(1,2,3,6-tetrahydroxycyclohexanecarbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate [IIN-based on: CCMSLIB00000847537]","exact_mass":580.178,"inchikey":"JMCVYQUHLKARLD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1178.3871,"smiles":"OC1CCC(O)C(O)(C1O)C(=O)OCC2=C(OC3OC(COC(=O)C4=CC=CC=C4)C(O)C(O)C3O)C=CC(O)=C2","spectrum_id":"CCMSLIB00005721284","spectrum_index":5974},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169797-03![3,4,5-trihydroxy-6-[4-hydroxy-2-[(1,2,3,6-tetrahydroxycyclohexanecarbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate [IIN-based on: CCMSLIB00000847537]","exact_mass":580.178,"inchikey":"JMCVYQUHLKARLD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":581.1859,"smiles":"OC1CCC(O)C(O)(C1O)C(=O)OCC2=C(OC3OC(COC(=O)C4=CC=CC=C4)C(O)C(O)C3O)C=CC(O)=C2","spectrum_id":"CCMSLIB00005721285","spectrum_index":5975},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380926-01![5-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]-2-hydroxyphenyl] 4-hydroxybenzoate [IIN-based on: CCMSLIB00000847534]","exact_mass":422.175,"inchikey":"ORMBYUPZHHWUEM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":862.3822,"smiles":"CC(CC1=CC(O)=C(O)C=C1)C(C)CC2=CC(OC(=O)C3=CC=C(O)C=C3)=C(O)C=C2","spectrum_id":"CCMSLIB00005721286","spectrum_index":5976},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380926-01![5-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]-2-hydroxyphenyl] 4-hydroxybenzoate [IIN-based: Match]","exact_mass":422.175,"inchikey":"ORMBYUPZHHWUEM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.182,"smiles":"CC(CC1=CC(O)=C(O)C=C1)C(C)CC2=CC(OC(=O)C3=CC=C(O)C=C3)=C(O)C=C2","spectrum_id":"CCMSLIB00005721287","spectrum_index":5977},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380119-01!3-(5,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one [IIN-based on: CCMSLIB00000845434]","exact_mass":228.137,"inchikey":"HNNQILZBIHECCU-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.281,"smiles":"CC(O)C(O)CCCCC1=C(C)C(=O)OC1","spectrum_id":"CCMSLIB00005721288","spectrum_index":5978},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380119-01!3-(5,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one [IIN-based: Match]","exact_mass":228.137,"inchikey":"HNNQILZBIHECCU-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":246.1708,"smiles":"CC(O)C(O)CCCCC1=C(C)C(=O)OC1","spectrum_id":"CCMSLIB00005721289","spectrum_index":5979},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380119-01!3-(5,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one [IIN-based on: CCMSLIB00000845434]","exact_mass":228.137,"inchikey":"HNNQILZBIHECCU-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.2623,"smiles":"CC(O)C(O)CCCCC1=C(C)C(=O)OC1","spectrum_id":"CCMSLIB00005721290","spectrum_index":5980},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380119-01!3-(5,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one [IIN-based on: CCMSLIB00000845434]","exact_mass":228.137,"inchikey":"HNNQILZBIHECCU-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.1443,"smiles":"CC(O)C(O)CCCCC1=C(C)C(=O)OC1","spectrum_id":"CCMSLIB00005721291","spectrum_index":5981},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380113-01!2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based on: CCMSLIB00000845447]","exact_mass":510.32,"inchikey":"GGLFMIALTLLMEJ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1021.6468,"smiles":"CC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(O)CO","spectrum_id":"CCMSLIB00005721292","spectrum_index":5982},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380113-01!2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based: Match]","exact_mass":510.32,"inchikey":"GGLFMIALTLLMEJ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":511.3278,"smiles":"CC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(O)CO","spectrum_id":"CCMSLIB00005721293","spectrum_index":5983},{"adduct":"[2M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380113-01!2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based on: CCMSLIB00000845447]","exact_mass":510.32,"inchikey":"GGLFMIALTLLMEJ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1003.6363,"smiles":"CC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(O)CO","spectrum_id":"CCMSLIB00005721294","spectrum_index":5984},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380543-01![(2R,3S,4S,5R,6R)-6-[(5,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based: Match]","exact_mass":508.123,"inchikey":"LWONLPZQFYNCMG-ATSIEDNJSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":526.1571,"smiles":"O[C@H]1[C@H](O)[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H](OC3CCC(=O)C4=C(O)C=CC(O)=C34)[C@@H]1O","spectrum_id":"CCMSLIB00005721295","spectrum_index":5985},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380543-01![(2R,3S,4S,5R,6R)-6-[(5,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based on: CCMSLIB00000845446]","exact_mass":508.123,"inchikey":"LWONLPZQFYNCMG-ATSIEDNJSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1034.278,"smiles":"O[C@H]1[C@H](O)[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H](OC3CCC(=O)C4=C(O)C=CC(O)=C34)[C@@H]1O","spectrum_id":"CCMSLIB00005721296","spectrum_index":5986},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384980-01!5-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid [IIN-based on: CCMSLIB00000849069]","exact_mass":494.275,"inchikey":"VQFBAKAPQDNJNU-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":512.3087,"smiles":"CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(O)=O)C(C)CC)OC1OC(CO)C(O)C1O","spectrum_id":"CCMSLIB00005721297","spectrum_index":5987},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384980-01!5-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid [IIN-based: Match]","exact_mass":494.275,"inchikey":"VQFBAKAPQDNJNU-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":477.2715,"smiles":"CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(O)=O)C(C)CC)OC1OC(CO)C(O)C1O","spectrum_id":"CCMSLIB00005721298","spectrum_index":5988},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385824-01!methyl 2,4,10-triacetyloxy-5,9-dihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate [IIN-based: Match]","exact_mass":520.23,"inchikey":"CDYGRHOHQUXDMN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":538.263,"smiles":"COC(=O)C1(C)C(CC(OC(C)=O)C2(C)C1C(OC(C)=O)C(O)C3=C2C(O)=CC(=C3)C(C)C)OC(C)=O","spectrum_id":"CCMSLIB00005721299","spectrum_index":5989},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169184-02!7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]","exact_mass":370.091,"inchikey":"CRSFLLTWRCYNNX-QBNNUVSCSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":388.1254,"smiles":"COC1=C(O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C3OC(=O)C=CC3=C1","spectrum_id":"CCMSLIB00005721300","spectrum_index":5990},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180516-03!2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol [IIN-based on: CCMSLIB00000847949]","exact_mass":360.157,"inchikey":"DGYASNDHNSXGSL-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":738.3459,"smiles":"COC1=C(O)C=CC(=C1)C2OC(C3=CC(OC)=C(O)C=C3)C(C)(O)C2C","spectrum_id":"CCMSLIB00005721301","spectrum_index":5991},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180516-03!2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol [IIN-based: Match]","exact_mass":360.157,"inchikey":"DGYASNDHNSXGSL-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.1529,"smiles":"COC1=C(O)C=CC(=C1)C2OC(C3=CC(OC)=C(O)C=C3)C(C)(O)C2C","spectrum_id":"CCMSLIB00005721302","spectrum_index":5992},{"adduct":"[3M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180516-03!2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol [IIN-based on: CCMSLIB00000847949]","exact_mass":360.157,"inchikey":"DGYASNDHNSXGSL-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1098.5123,"smiles":"COC1=C(O)C=CC(=C1)C2OC(C3=CC(OC)=C(O)C=C3)C(C)(O)C2C","spectrum_id":"CCMSLIB00005721303","spectrum_index":5993},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380496-01!7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one [IIN-based: Match]","exact_mass":902.272,"inchikey":"UKLPMOHKLUPGON-JEXZMAAQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":903.2791,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)=CC(O)=C4C3=O)C7=CC=C(O)C=C7)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721304","spectrum_index":5994},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384671-01!2-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848134]","exact_mass":550.171,"inchikey":"FTVKHUHJWDMWIR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1101.3444,"smiles":"OCC1OC(OC2=CC=C(C=C2)C3CC(=O)C4=CC=C(O)C=C4O3)C(OC5OCC(O)(CO)C5O)C(O)C1O","spectrum_id":"CCMSLIB00005721305","spectrum_index":5995},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384671-01!2-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":550.171,"inchikey":"FTVKHUHJWDMWIR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.1798,"smiles":"OCC1OC(OC2=CC=C(C=C2)C3CC(=O)C4=CC=C(O)C=C4O3)C(OC5OCC(O)(CO)C5O)C(O)C1O","spectrum_id":"CCMSLIB00005721306","spectrum_index":5996},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384671-01!2-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848134]","exact_mass":550.171,"inchikey":"FTVKHUHJWDMWIR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":568.206,"smiles":"OCC1OC(OC2=CC=C(C=C2)C3CC(=O)C4=CC=C(O)C=C4O3)C(OC5OCC(O)(CO)C5O)C(O)C1O","spectrum_id":"CCMSLIB00005721307","spectrum_index":5997},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00384723-01!3-[15,21-bis(2-amino-2-oxoethyl)-3-(1-hydroxyethyl)-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]propanoic acid [IIN-based on: CCMSLIB00000848827]","exact_mass":1034.52,"inchikey":"GVLISDGZEVBRHD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":537.2454,"smiles":"CC(C)CCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(CCC(O)=O)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)N1","spectrum_id":"CCMSLIB00005721308","spectrum_index":5998},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384723-01!3-[15,21-bis(2-amino-2-oxoethyl)-3-(1-hydroxyethyl)-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]propanoic acid [IIN-based: Match]","exact_mass":1034.52,"inchikey":"GVLISDGZEVBRHD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1035.5312,"smiles":"CC(C)CCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(CCC(O)=O)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)N1","spectrum_id":"CCMSLIB00005721309","spectrum_index":5999},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380669-01!2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol [IIN-based on: CCMSLIB00000846707]","exact_mass":418.198,"inchikey":"KKEKLEUWEJUCRA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":854.429,"smiles":"COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C2=CC(OC)=C(OC)C(OC)=C2","spectrum_id":"CCMSLIB00005721310","spectrum_index":6000},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380669-01!2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol [IIN-based: Match]","exact_mass":418.198,"inchikey":"KKEKLEUWEJUCRA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":436.2315,"smiles":"COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C2=CC(OC)=C(OC)C(OC)=C2","spectrum_id":"CCMSLIB00005721311","spectrum_index":6001},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179920-02![(2S,3R,4R,5S,6S)-2-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-5-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-4-yl] (E)-3-phenylprop-2-enoate [IIN-based: Match]","exact_mass":768.263,"inchikey":"OQXBCMJIIDQITC-PJROZREGSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":769.2721,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)\\\\C=C\\\\C6=CC=CC=C6)[C@H](OC(=O)\\\\C=C\\\\C7=CC=CC=C7)[C@H]1O","spectrum_id":"CCMSLIB00005721312","spectrum_index":6002},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180407-02!7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one [IIN-based on: CCMSLIB00000848089]","exact_mass":394.126,"inchikey":"HKIKAXXIWJHWLY-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":789.2601,"smiles":"CC(=O)CC1=CC(=O)C2=C(O1)C(C3OC(CO)C(O)C(O)C3O)=C(O)C=C2C","spectrum_id":"CCMSLIB00005721313","spectrum_index":6003},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180407-02!7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one [IIN-based: Match]","exact_mass":394.126,"inchikey":"HKIKAXXIWJHWLY-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.1335,"smiles":"CC(=O)CC1=CC(=O)C2=C(O1)C(C3OC(CO)C(O)C(O)C3O)=C(O)C=C2C","spectrum_id":"CCMSLIB00005721314","spectrum_index":6004},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347547-02!methyl 2-(4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl)oxy-4-hydroxy-3,6-dimethylbenzoate [IIN-based on: CCMSLIB00000848087]","exact_mass":380.147,"inchikey":"GJGRGJCMJUMZKN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":783.2827,"smiles":"COC(=O)C1=C(C)C=C(O)C(C)=C1OC2C(=O)C(C)=C(O)C(O)C2(C)OC","spectrum_id":"CCMSLIB00005721315","spectrum_index":6005},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347547-02!methyl 2-(4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl)oxy-4-hydroxy-3,6-dimethylbenzoate [IIN-based: Match]","exact_mass":380.147,"inchikey":"GJGRGJCMJUMZKN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.1359,"smiles":"COC(=O)C1=C(C)C=C(O)C(C)=C1OC2C(=O)C(C)=C(O)C(O)C2(C)OC","spectrum_id":"CCMSLIB00005721316","spectrum_index":6006},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347871-02!(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate [IIN-based: Match]","exact_mass":344.127,"inchikey":"QPLSCFLMIOADPA-YHYXMXQVSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.1344,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1C(O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005721317","spectrum_index":6007},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846570]","exact_mass":794.431,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1606.8983,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005721318","spectrum_index":6008},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846570]","exact_mass":794.431,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1589.8709,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005721319","spectrum_index":6009},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based: Match]","exact_mass":794.431,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":817.4186,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005721320","spectrum_index":6010},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380530-01!3-(1,3-benzodioxol-5-yl)-7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dimethoxychromen-4-one [IIN-based: Match]","exact_mass":636.17,"inchikey":"LXGTXWCOSLFWKC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":659.1589,"smiles":"COC1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C=C4OC=C(C(=O)C4=C1OC)C5=CC=C6OCOC6=C5","spectrum_id":"CCMSLIB00005721321","spectrum_index":6011},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380530-01!3-(1,3-benzodioxol-5-yl)-7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dimethoxychromen-4-one [IIN-based on: CCMSLIB00000846561]","exact_mass":636.17,"inchikey":"LXGTXWCOSLFWKC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1273.3487,"smiles":"COC1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C=C4OC=C(C(=O)C4=C1OC)C5=CC=C6OCOC6=C5","spectrum_id":"CCMSLIB00005721322","spectrum_index":6012},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381317-01!(E)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione [IIN-based: Match]","exact_mass":281.201,"inchikey":"LCDBRGPJMWXDGF-ONEGZZNKSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.207,"smiles":"C\\\\C=C\\\\CCCCC(=O)C(C)C(=O)N1CCCC1CO","spectrum_id":"CCMSLIB00005721323","spectrum_index":6013},{"adduct":"[3M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381317-01!(E)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione [IIN-based on: CCMSLIB00000846613]","exact_mass":281.201,"inchikey":"LCDBRGPJMWXDGF-ONEGZZNKSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.7821,"smiles":"C\\\\C=C\\\\CCCCC(=O)C(C)C(=O)N1CCCC1CO","spectrum_id":"CCMSLIB00005721324","spectrum_index":6014},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based: Match]","exact_mass":680.364,"inchikey":"BENIATCKWZLKMA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":703.355,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005721325","spectrum_index":6015},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846630]","exact_mass":680.364,"inchikey":"BENIATCKWZLKMA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1378.7542,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005721326","spectrum_index":6016},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380415-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":544.137,"inchikey":"YHJDRJVMBSUEDI-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":562.1711,"smiles":"OC1CC2=C(O)C=C(O)C(C3C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C=C5)=C2OC1C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00005721327","spectrum_index":6017},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380415-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000847696]","exact_mass":544.137,"inchikey":"YHJDRJVMBSUEDI-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.1434,"smiles":"OC1CC2=C(O)C=C(O)C(C3C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C=C5)=C2OC1C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00005721328","spectrum_index":6018},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380673-01!4-[1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2-methoxyphenol [IIN-based on: CCMSLIB00000845842]","exact_mass":344.162,"inchikey":"WCFYXOLUODJLKB-AATRIKPKSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":706.3575,"smiles":"COC1=C(O)C=CC(=C1)C(O)C(C)OC2=C(OC)C=C(C=C2)\\\\C=C\\\\C","spectrum_id":"CCMSLIB00005721329","spectrum_index":6019},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380673-01!4-[1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2-methoxyphenol [IIN-based: Match]","exact_mass":344.162,"inchikey":"WCFYXOLUODJLKB-AATRIKPKSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.1959,"smiles":"COC1=C(O)C=CC(=C1)C(O)C(C)OC2=C(OC)C=C(C=C2)\\\\C=C\\\\C","spectrum_id":"CCMSLIB00005721330","spectrum_index":6020},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380672-01!2-[3-(6-acetyloxy-2-hydroxy-6-methyl-3-oxoheptan-2-yl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid [IIN-based: Match]","exact_mass":592.323,"inchikey":"JRWYAESVJOLYCQ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":610.3578,"smiles":"CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C(C(CC(O)=O)C3(C)C(=O)CC12C)C(C)(C)C(O)=O","spectrum_id":"CCMSLIB00005721331","spectrum_index":6021},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380537-01!5-[[4,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid [IIN-based: Match]","exact_mass":752.217,"inchikey":"VGOJYSUPEJWUNN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":753.2235,"smiles":"COC1=CC(O)=C2C(=O)C(OC3OC(COC(=O)CC(C)(O)CC(O)=O)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)=C(OC2=C1)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00005721332","spectrum_index":6022},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380537-01!5-[[4,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid [IIN-based on: CCMSLIB00000848292]","exact_mass":752.217,"inchikey":"VGOJYSUPEJWUNN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1505.4395,"smiles":"COC1=CC(O)=C2C(=O)C(OC3OC(COC(=O)CC(C)(O)CC(O)=O)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)=C(OC2=C1)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00005721333","spectrum_index":6023},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380537-01!5-[[4,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid [IIN-based on: CCMSLIB00000848292]","exact_mass":752.217,"inchikey":"VGOJYSUPEJWUNN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":772.1982,"smiles":"COC1=CC(O)=C2C(=O)C(OC3OC(COC(=O)CC(C)(O)CC(O)=O)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)=C(OC2=C1)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00005721334","spectrum_index":6024},{"adduct":"[2M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179826-02!2-[3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000848288]","exact_mass":504.164,"inchikey":"ZLACPIJRVKLLJM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":991.3231,"smiles":"COC1=C2OC(=CC2=CC(=C1)C(O)CCOC3OC(CO)C(O)C(O)C3O)C4=CC5=C(OCO5)C=C4","spectrum_id":"CCMSLIB00005721335","spectrum_index":6025},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179826-02!2-[3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000848288]","exact_mass":504.164,"inchikey":"ZLACPIJRVKLLJM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.1978,"smiles":"COC1=C2OC(=CC2=CC(=C1)C(O)CCOC3OC(CO)C(O)C(O)C3O)C4=CC5=C(OCO5)C=C4","spectrum_id":"CCMSLIB00005721336","spectrum_index":6026},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179826-02!2-[3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":504.164,"inchikey":"ZLACPIJRVKLLJM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.1609,"smiles":"COC1=C2OC(=CC2=CC(=C1)C(O)CCOC3OC(CO)C(O)C(O)C3O)C4=CC5=C(OCO5)C=C4","spectrum_id":"CCMSLIB00005721337","spectrum_index":6027},{"adduct":"[2M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179826-02!2-[3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000848288]","exact_mass":504.164,"inchikey":"ZLACPIJRVKLLJM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":973.3119,"smiles":"COC1=C2OC(=CC2=CC(=C1)C(O)CCOC3OC(CO)C(O)C(O)C3O)C4=CC5=C(OCO5)C=C4","spectrum_id":"CCMSLIB00005721338","spectrum_index":6028},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169368-02!3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan [IIN-based on: CCMSLIB00000848284]","exact_mass":446.195,"inchikey":"HRLFUIXSXUASEX-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":893.3967,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OCC3C2COC3C4=CC(OC)=C(OC)C(OC)=C4","spectrum_id":"CCMSLIB00005721339","spectrum_index":6029},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169368-02!3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan [IIN-based: Match]","exact_mass":446.195,"inchikey":"HRLFUIXSXUASEX-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":464.2306,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OCC3C2COC3C4=CC(OC)=C(OC)C(OC)=C4","spectrum_id":"CCMSLIB00005721340","spectrum_index":6030},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169368-02!3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan [IIN-based on: CCMSLIB00000848284]","exact_mass":446.195,"inchikey":"HRLFUIXSXUASEX-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.1928,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OCC3C2COC3C4=CC(OC)=C(OC)C(OC)=C4","spectrum_id":"CCMSLIB00005721341","spectrum_index":6031},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169619-02![(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-6-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate [IIN-based on: CCMSLIB00000848296]","exact_mass":948.495,"inchikey":"YGAXNRUXTMXSJA-LDGQGHTNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":966.5285,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H](C)O[C@@H](O[C@@](C)(CC[C@@]3(C)[C@H](C)C[C@H](O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H]4O)[C@]6(C)[C@@H]3CCC=C6C)C=C)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721342","spectrum_index":6032},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169619-02![(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-6-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate [IIN-based: Match]","exact_mass":948.495,"inchikey":"YGAXNRUXTMXSJA-LDGQGHTNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":949.5013,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@@H](C)O[C@@H](O[C@@](C)(CC[C@@]3(C)[C@H](C)C[C@H](O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H]4O)[C@]6(C)[C@@H]3CCC=C6C)C=C)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721343","spectrum_index":6033},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381219-01![3,4-dihydroxy-5-[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxy-2-methylidenebutanoyl)oxymethyl]oxan-2-yl]oxybutanoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate [IIN-based on: CCMSLIB00000845412]","exact_mass":620.23,"inchikey":"JGCNXPIMJMUVKE-OVYOWKQZSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":638.264,"smiles":"OCCC(=C)C(=O)OCC1OCC(OC(=O)C(=C)CCO[C@@H]2O[C@H](COC(=O)C(=C)CCO)[C@@H](O)[C@H](O)[C@H]2O)C(O)C1O","spectrum_id":"CCMSLIB00005721344","spectrum_index":6034},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381219-01![3,4-dihydroxy-5-[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxy-2-methylidenebutanoyl)oxymethyl]oxan-2-yl]oxybutanoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate [IIN-based: Match]","exact_mass":620.23,"inchikey":"JGCNXPIMJMUVKE-OVYOWKQZSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":603.2275,"smiles":"OCCC(=C)C(=O)OCC1OCC(OC(=O)C(=C)CCO[C@@H]2O[C@H](COC(=O)C(=C)CCO)[C@@H](O)[C@H](O)[C@H]2O)C(O)C1O","spectrum_id":"CCMSLIB00005721345","spectrum_index":6035},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381322-01!3',4,5',6,8'-pentahydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-3,4-dihydro-2H-furo[2,3-h]chromene]-3-one [IIN-based: Match]","exact_mass":558.118,"inchikey":"PAUVEHXCLNBAPG-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":541.1169,"smiles":"OC1CC2=C(O)C=C3OC(O)(C4=CC=C(O)C=C4)C5(OC6=C(C5=O)C(O)=CC(O)=C6)C3=C2OC1C7=CC=C(O)C=C7","spectrum_id":"CCMSLIB00005721346","spectrum_index":6036},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385996-01!10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based: Match]","exact_mass":258.09,"inchikey":"XYPWCJWXFYYGPA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.1234,"smiles":"COC1=C2OC(=O)C=CC2=CC3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00005721347","spectrum_index":6037},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385996-01!10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000847475]","exact_mass":258.09,"inchikey":"XYPWCJWXFYYGPA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":539.1685,"smiles":"COC1=C2OC(=O)C=CC2=CC3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00005721348","spectrum_index":6038},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385996-01!10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000847475]","exact_mass":258.09,"inchikey":"XYPWCJWXFYYGPA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.1868,"smiles":"COC1=C2OC(=O)C=CC2=CC3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00005721349","spectrum_index":6039},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385996-01!10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000847475]","exact_mass":258.09,"inchikey":"XYPWCJWXFYYGPA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":534.2133,"smiles":"COC1=C2OC(=O)C=CC2=CC3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00005721350","spectrum_index":6040},{"adduct":"[4M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00170014-03!(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based on: CCMSLIB00000848670]","exact_mass":306.158,"inchikey":"ZVMGKOAHBAIHLO-SOFGYWHQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":632.2973,"smiles":"COC1=C(O)C=CC(\\\\C=C\\\\C(=O)NCCCCNC(C)=O)=C1","spectrum_id":"CCMSLIB00005721351","spectrum_index":6041},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170014-03!(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based on: CCMSLIB00000848670]","exact_mass":306.158,"inchikey":"ZVMGKOAHBAIHLO-SOFGYWHQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":613.3228,"smiles":"COC1=C(O)C=CC(\\\\C=C\\\\C(=O)NCCCCNC(C)=O)=C1","spectrum_id":"CCMSLIB00005721352","spectrum_index":6042},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170014-03!(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based: Match]","exact_mass":306.158,"inchikey":"ZVMGKOAHBAIHLO-SOFGYWHQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.1465,"smiles":"COC1=C(O)C=CC(\\\\C=C\\\\C(=O)NCCCCNC(C)=O)=C1","spectrum_id":"CCMSLIB00005721353","spectrum_index":6043},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170014-03!(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based on: CCMSLIB00000848670]","exact_mass":306.158,"inchikey":"ZVMGKOAHBAIHLO-SOFGYWHQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":635.3047,"smiles":"COC1=C(O)C=CC(\\\\C=C\\\\C(=O)NCCCCNC(C)=O)=C1","spectrum_id":"CCMSLIB00005721354","spectrum_index":6044},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347498-02!4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid [IIN-based on: CCMSLIB00000848675]","exact_mass":369.141,"inchikey":"DNDACVRMGDHDQY-QWRGUYRKSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":739.2895,"smiles":"C[C@H](O)C(O)([C@H](C)O)C(=O)OCC1=CC=CC=C1NC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00005721355","spectrum_index":6045},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347498-02!4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid [IIN-based: Match]","exact_mass":369.141,"inchikey":"DNDACVRMGDHDQY-QWRGUYRKSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":352.1375,"smiles":"C[C@H](O)C(O)([C@H](C)O)C(=O)OCC1=CC=CC=C1NC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00005721356","spectrum_index":6046},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380422-01!4-methoxy-6-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-1,3-benzodioxole [IIN-based: Match]","exact_mass":340.168,"inchikey":"UOUFYEQUUCSLPP-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":358.2025,"smiles":"COC1=CC(CCC2=CC=C(OCC=C(C)C)C=C2)=CC3=C1OCO3","spectrum_id":"CCMSLIB00005721357","spectrum_index":6047},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169448-03!5-(1,2,3,4,5,6-hexahydroxyhexoxy)-6-hydroxy-3-methoxy-9-methyl-4,5-dihydro-3H-pyrano[3,4-h][1]benzoxepine-2,7-dione [IIN-based: Match]","exact_mass":486.137,"inchikey":"NSIUWPVISVFSGF-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":504.1713,"smiles":"COC1CC(OC(O)C(O)C(O)C(O)C(O)CO)C2=C(OC1=O)C=C3C=C(C)OC(=O)C3=C2O","spectrum_id":"CCMSLIB00005721358","spectrum_index":6048},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169448-03!5-(1,2,3,4,5,6-hexahydroxyhexoxy)-6-hydroxy-3-methoxy-9-methyl-4,5-dihydro-3H-pyrano[3,4-h][1]benzoxepine-2,7-dione [IIN-based on: CCMSLIB00000845627]","exact_mass":486.137,"inchikey":"NSIUWPVISVFSGF-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":990.3054,"smiles":"COC1CC(OC(O)C(O)C(O)C(O)C(O)CO)C2=C(OC1=O)C=C3C=C(C)OC(=O)C3=C2O","spectrum_id":"CCMSLIB00005721359","spectrum_index":6049},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169448-03!5-(1,2,3,4,5,6-hexahydroxyhexoxy)-6-hydroxy-3-methoxy-9-methyl-4,5-dihydro-3H-pyrano[3,4-h][1]benzoxepine-2,7-dione [IIN-based on: CCMSLIB00000845627]","exact_mass":486.137,"inchikey":"NSIUWPVISVFSGF-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.1431,"smiles":"COC1CC(OC(O)C(O)C(O)C(O)C(O)CO)C2=C(OC1=O)C=C3C=C(C)OC(=O)C3=C2O","spectrum_id":"CCMSLIB00005721360","spectrum_index":6050},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380866-01!(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":580.182,"inchikey":"HFSJWNXFQYKQNX-GTTIYPEBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":603.1697,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C3=C(O)C=C4O[C@@H](CC(=O)C4=C3O)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721361","spectrum_index":6051},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00321441-02!7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one [IIN-based on: CCMSLIB00000845968]","exact_mass":382.214,"inchikey":"MCTDXPDDZLFJHR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.2215,"smiles":"CC1=CCC2C(C)(C)C(O)CCC2(C)C1COC3=CC=C4C=CC(=O)OC4=C3","spectrum_id":"CCMSLIB00005721362","spectrum_index":6052},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00321441-02!7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one [IIN-based on: CCMSLIB00000845968]","exact_mass":382.214,"inchikey":"MCTDXPDDZLFJHR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":782.4627,"smiles":"CC1=CCC2C(C)(C)C(O)CCC2(C)C1COC3=CC=C4C=CC(=O)OC4=C3","spectrum_id":"CCMSLIB00005721363","spectrum_index":6053},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00321441-02!7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one [IIN-based: Match]","exact_mass":382.214,"inchikey":"MCTDXPDDZLFJHR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.2475,"smiles":"CC1=CCC2C(C)(C)C(O)CCC2(C)C1COC3=CC=C4C=CC(=O)OC4=C3","spectrum_id":"CCMSLIB00005721364","spectrum_index":6054},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00321441-02!7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one [IIN-based on: CCMSLIB00000845968]","exact_mass":382.214,"inchikey":"MCTDXPDDZLFJHR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.2111,"smiles":"CC1=CCC2C(C)(C)C(O)CCC2(C)C1COC3=CC=C4C=CC(=O)OC4=C3","spectrum_id":"CCMSLIB00005721365","spectrum_index":6055},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00321441-02!7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one [IIN-based on: CCMSLIB00000845968]","exact_mass":382.214,"inchikey":"MCTDXPDDZLFJHR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":765.4361,"smiles":"CC1=CCC2C(C)(C)C(O)CCC2(C)C1COC3=CC=C4C=CC(=O)OC4=C3","spectrum_id":"CCMSLIB00005721366","spectrum_index":6056},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179791-03!1,7-bis(4-hydroxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one [IIN-based on: CCMSLIB00000845973]","exact_mass":476.205,"inchikey":"PVPDIJGSCANSAG-SRJJTFDTSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":953.4156,"smiles":"OC[C@H]1O[C@@H](OC(CCC2=CC=C(O)C=C2)CC(=O)CCC3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721367","spectrum_index":6057},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179791-03!1,7-bis(4-hydroxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one [IIN-based: Match]","exact_mass":476.205,"inchikey":"PVPDIJGSCANSAG-SRJJTFDTSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":494.2388,"smiles":"OC[C@H]1O[C@@H](OC(CCC2=CC=C(O)C=C2)CC(=O)CCC3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721368","spectrum_index":6058},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384566-01!8-hydroxy-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one [IIN-based on: CCMSLIB00000846869]","exact_mass":260.106,"inchikey":"KNZZAAGBIUZSNV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":538.2463,"smiles":"COC1=CC=C2C=C(C(=O)OC2=C1O)C(C)(C)C=C","spectrum_id":"CCMSLIB00005721369","spectrum_index":6059},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384566-01!8-hydroxy-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one [IIN-based: Match]","exact_mass":260.106,"inchikey":"KNZZAAGBIUZSNV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":278.1391,"smiles":"COC1=CC=C2C=C(C(=O)OC2=C1O)C(C)(C)C=C","spectrum_id":"CCMSLIB00005721370","spectrum_index":6060},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384563-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one [IIN-based: Match]","exact_mass":534.139,"inchikey":"LDVNKZYMYPZDAI-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.1465,"smiles":"OC1COC(C(O)C1O)C2=C(O)C(C3OCC(O)C(O)C3O)=C4OC(=CC(=O)C4=C2O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00005721371","spectrum_index":6061},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384563-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one [IIN-based on: CCMSLIB00000846878]","exact_mass":534.139,"inchikey":"LDVNKZYMYPZDAI-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1069.2811,"smiles":"OC1COC(C(O)C1O)C2=C(O)C(C3OCC(O)C(O)C3O)=C4OC(=CC(=O)C4=C2O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00005721372","spectrum_index":6062},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384565-01!6-hydroxy-8-(7-hydroxy-2-oxochromen-8-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based on: CCMSLIB00000846875]","exact_mass":500.097,"inchikey":"WTPJPYNIRFDQSR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1018.2252,"smiles":"OCC1OC(OC2=C(C3=C(C=CC(=O)O3)C=C2O)C4=C5OC(=O)C=CC5=CC=C4O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005721373","spectrum_index":6063},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384565-01!6-hydroxy-8-(7-hydroxy-2-oxochromen-8-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]","exact_mass":500.097,"inchikey":"WTPJPYNIRFDQSR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":501.1052,"smiles":"OCC1OC(OC2=C(C3=C(C=CC(=O)O3)C=C2O)C4=C5OC(=O)C=CC5=CC=C4O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005721374","spectrum_index":6064},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384565-01!6-hydroxy-8-(7-hydroxy-2-oxochromen-8-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based on: CCMSLIB00000846875]","exact_mass":500.097,"inchikey":"WTPJPYNIRFDQSR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1001.1968,"smiles":"OCC1OC(OC2=C(C3=C(C=CC(=O)O3)C=C2O)C4=C5OC(=O)C=CC5=CC=C4O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005721375","spectrum_index":6065},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380295-01!2-[2-(3,5-dimethyl-2-oxocyclohexyl)-6-oxooxan-4-yl]acetamide [IIN-based on: CCMSLIB00000845929]","exact_mass":281.164,"inchikey":"SAVFIMRLAWCZGX-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.1973,"smiles":"CC1CC(C)C(=O)C(C1)C2CC(CC(N)=O)CC(=O)O2","spectrum_id":"CCMSLIB00005721376","spectrum_index":6066},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380295-01!2-[2-(3,5-dimethyl-2-oxocyclohexyl)-6-oxooxan-4-yl]acetamide [IIN-based: Match]","exact_mass":281.164,"inchikey":"SAVFIMRLAWCZGX-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.1713,"smiles":"CC1CC(C)C(=O)C(C1)C2CC(CC(N)=O)CC(=O)O2","spectrum_id":"CCMSLIB00005721377","spectrum_index":6067},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380218-01!(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000845933]","exact_mass":308.185,"inchikey":"KSQUXZFVIOCIHF-MXNNCRBYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":617.3765,"smiles":"CC(C)CCC(O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721378","spectrum_index":6068},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380218-01!(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":308.185,"inchikey":"KSQUXZFVIOCIHF-MXNNCRBYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":326.2194,"smiles":"CC(C)CCC(O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721379","spectrum_index":6069},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347700-02!2-[4-[(3S,3aR,6S,6aR)-6-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":682.25,"inchikey":"ZJSJQWDXAYNLNS-XJUVHSKASA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":683.2574,"smiles":"COC1=CC(=CC=C1OC2OC(CO)C(O)C(O)C2O)[C@H]3OC[C@H]4[C@@H]3CO[C@@H]4C5=CC=C(OC6OC(CO)C(O)C(O)C6O)C(OC)=C5","spectrum_id":"CCMSLIB00005721380","spectrum_index":6070},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385782-01!(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":466.111,"inchikey":"OSFCFXQMAHURHU-OIKOUPSRSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":467.1186,"smiles":"OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C=C3O[C@@H]([C@@H](O)C(=O)C3=C2O)C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00005721381","spectrum_index":6071},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385763-01!(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate [IIN-based on: CCMSLIB00000847853]","exact_mass":304.095,"inchikey":"IPUBQCBQSUVXEV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.1018,"smiles":"CC(=O)OC1C(O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005721382","spectrum_index":6072},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385763-01!(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate [IIN-based: Match]","exact_mass":304.095,"inchikey":"IPUBQCBQSUVXEV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.0918,"smiles":"CC(=O)OC1C(O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005721383","spectrum_index":6073},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385763-01!(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate [IIN-based on: CCMSLIB00000847853]","exact_mass":304.095,"inchikey":"IPUBQCBQSUVXEV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":631.1777,"smiles":"CC(=O)OC1C(O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005721384","spectrum_index":6074},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347615-02!methyl 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based: Match]","exact_mass":430.025,"inchikey":"UWTOESDPWKUNBD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":448.0579,"smiles":"COC(=O)C1=CC(O)=CC(OC)=C1OC2=C(Cl)C(C)=C(Cl)C(O)=C2C(=O)OC","spectrum_id":"CCMSLIB00005721385","spectrum_index":6075},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347381-02!(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde [IIN-based on: CCMSLIB00000847504]","exact_mass":578.273,"inchikey":"AXUYMUBJXHVZEL-DBOUUHTQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1157.5476,"smiles":"C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](CC[C@]34C=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@]1(O)CC[C@@H]2C6=COC(=O)C=C6","spectrum_id":"CCMSLIB00005721386","spectrum_index":6076},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347381-02!(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde [IIN-based: Match]","exact_mass":578.273,"inchikey":"AXUYMUBJXHVZEL-DBOUUHTQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":596.3088,"smiles":"C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](CC[C@]34C=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@]1(O)CC[C@@H]2C6=COC(=O)C=C6","spectrum_id":"CCMSLIB00005721387","spectrum_index":6077},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347381-02!(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde [IIN-based on: CCMSLIB00000847504]","exact_mass":578.273,"inchikey":"AXUYMUBJXHVZEL-DBOUUHTQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.2818,"smiles":"C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](CC[C@]34C=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@]1(O)CC[C@@H]2C6=COC(=O)C=C6","spectrum_id":"CCMSLIB00005721388","spectrum_index":6078},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347365-02!5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000846817]","exact_mass":312.137,"inchikey":"WYMMNGQSPNWCIK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":642.3068,"smiles":"CC(C)(C=C)C1=C2OC(C)(C)C=CC2=C(O)C3=C1OC(=O)C=C3","spectrum_id":"CCMSLIB00005721389","spectrum_index":6079},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347365-02!5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000846817]","exact_mass":312.137,"inchikey":"WYMMNGQSPNWCIK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":647.2631,"smiles":"CC(C)(C=C)C1=C2OC(C)(C)C=CC2=C(O)C3=C1OC(=O)C=C3","spectrum_id":"CCMSLIB00005721390","spectrum_index":6080},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347365-02!5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based: Match]","exact_mass":312.137,"inchikey":"WYMMNGQSPNWCIK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.1435,"smiles":"CC(C)(C=C)C1=C2OC(C)(C)C=CC2=C(O)C3=C1OC(=O)C=C3","spectrum_id":"CCMSLIB00005721391","spectrum_index":6081},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347365-02!5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000846817]","exact_mass":312.137,"inchikey":"WYMMNGQSPNWCIK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":625.2815,"smiles":"CC(C)(C=C)C1=C2OC(C)(C)C=CC2=C(O)C3=C1OC(=O)C=C3","spectrum_id":"CCMSLIB00005721392","spectrum_index":6082},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385493-01!methyl 7-(2-methylpropanoyloxy)-2-oxochromene-6-carboxylate [IIN-based: Match]","exact_mass":290.08,"inchikey":"VUVWVGLISBHUCV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.1134,"smiles":"COC(=O)C1=C(OC(=O)C(C)C)C=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00005721393","spectrum_index":6083},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385493-01!methyl 7-(2-methylpropanoyloxy)-2-oxochromene-6-carboxylate [IIN-based on: CCMSLIB00000846815]","exact_mass":290.08,"inchikey":"VUVWVGLISBHUCV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":603.1494,"smiles":"COC(=O)C1=C(OC(=O)C(C)C)C=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00005721394","spectrum_index":6084},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385493-01!methyl 7-(2-methylpropanoyloxy)-2-oxochromene-6-carboxylate [IIN-based on: CCMSLIB00000846815]","exact_mass":290.08,"inchikey":"VUVWVGLISBHUCV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":598.1935,"smiles":"COC(=O)C1=C(OC(=O)C(C)C)C=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00005721395","spectrum_index":6085},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385502-01!1-[2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one [IIN-based: Match]","exact_mass":436.137,"inchikey":"CSATWRZOLKGPRW-KXIDKYMXSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.1445,"smiles":"OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C=CC(C(=O)C(O)CC3=CC=C(O)C=C3)=C2O","spectrum_id":"CCMSLIB00005721396","spectrum_index":6086},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180544-02![(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [IIN-based: Match]","exact_mass":624.204,"inchikey":"DTOUWTJYUCZJQD-UJERWXFOSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":625.2125,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)\\\\C=C\\\\C4=CC(O)=C(O)C=C4)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721397","spectrum_index":6087},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179841-03!3-[(3S,5R,10S,13R,14S,17S)-14-hydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one [IIN-based: Match]","exact_mass":858.427,"inchikey":"GZVMBXDQUQRICT-OZPZHZNKSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":876.4592,"smiles":"CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CCC4C3CC[C@]5(C)[C@@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@@H](C)[C@@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O","spectrum_id":"CCMSLIB00005721398","spectrum_index":6088},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380225-01!3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid [IIN-based on: CCMSLIB00000847815]","exact_mass":376.154,"inchikey":"HOXFNEPVXKQDSO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":753.3127,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(C=C2)C(O)=O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00005721399","spectrum_index":6089},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380225-01!3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid [IIN-based on: CCMSLIB00000847815]","exact_mass":376.154,"inchikey":"HOXFNEPVXKQDSO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.1619,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(C=C2)C(O)=O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00005721400","spectrum_index":6090},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380225-01!3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid [IIN-based: Match]","exact_mass":376.154,"inchikey":"HOXFNEPVXKQDSO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.1882,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(C=C2)C(O)=O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00005721401","spectrum_index":6091},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347880-02!2-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid [IIN-based on: CCMSLIB00000847807]","exact_mass":331.175,"inchikey":"OSDHWYZIXWDLGD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":680.3827,"smiles":"CC(C)CC(NC(C)=O)C(=O)NC(C)C(=O)NC(CO)C(O)=O","spectrum_id":"CCMSLIB00005721402","spectrum_index":6092},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347880-02!2-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid [IIN-based on: CCMSLIB00000847807]","exact_mass":331.175,"inchikey":"OSDHWYZIXWDLGD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":354.1648,"smiles":"CC(C)CC(NC(C)=O)C(=O)NC(C)C(=O)NC(CO)C(O)=O","spectrum_id":"CCMSLIB00005721403","spectrum_index":6093},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347880-02!2-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid [IIN-based on: CCMSLIB00000847807]","exact_mass":331.175,"inchikey":"OSDHWYZIXWDLGD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.1718,"smiles":"CC(C)CC(NC(C)=O)C(=O)NC(C)C(=O)NC(CO)C(O)=O","spectrum_id":"CCMSLIB00005721404","spectrum_index":6094},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347880-02!2-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid [IIN-based: Match]","exact_mass":331.175,"inchikey":"OSDHWYZIXWDLGD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":332.1828,"smiles":"CC(C)CC(NC(C)=O)C(=O)NC(C)C(=O)NC(CO)C(O)=O","spectrum_id":"CCMSLIB00005721405","spectrum_index":6095},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347880-02!2-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid [IIN-based on: CCMSLIB00000847807]","exact_mass":331.175,"inchikey":"OSDHWYZIXWDLGD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":663.356,"smiles":"CC(C)CC(NC(C)=O)C(=O)NC(C)C(=O)NC(CO)C(O)=O","spectrum_id":"CCMSLIB00005721406","spectrum_index":6096},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380220-01!3-[14-hydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one [IIN-based on: CCMSLIB00000847818]","exact_mass":858.426,"inchikey":"GZVMBXDQUQRICT-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":859.4328,"smiles":"COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00005721407","spectrum_index":6097},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380220-01!3-[14-hydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one [IIN-based: Match]","exact_mass":858.426,"inchikey":"GZVMBXDQUQRICT-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":876.4584,"smiles":"COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00005721408","spectrum_index":6098},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380227-01!(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid [IIN-based on: CCMSLIB00000847816]","exact_mass":420.144,"inchikey":"ZWBYHLQWDBQQQU-QPJJXVBHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":863.2757,"smiles":"COC1=CC(=CC=C1O)C(O)C(CO)OC2=C(OC)C=C(\\\\C=C\\\\C(O)=O)C=C2OC","spectrum_id":"CCMSLIB00005721409","spectrum_index":6099},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380227-01!(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid [IIN-based: Match]","exact_mass":420.144,"inchikey":"ZWBYHLQWDBQQQU-QPJJXVBHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.1407,"smiles":"COC1=CC(=CC=C1O)C(O)C(CO)OC2=C(OC)C=C(\\\\C=C\\\\C(O)=O)C=C2OC","spectrum_id":"CCMSLIB00005721410","spectrum_index":6100},{"adduct":"[2M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380227-01!(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid [IIN-based on: CCMSLIB00000847816]","exact_mass":420.144,"inchikey":"ZWBYHLQWDBQQQU-QPJJXVBHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":805.2717,"smiles":"COC1=CC(=CC=C1O)C(O)C(CO)OC2=C(OC)C=C(\\\\C=C\\\\C(O)=O)C=C2OC","spectrum_id":"CCMSLIB00005721411","spectrum_index":6101},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381130-01!methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate [IIN-based on: CCMSLIB00000846920]","exact_mass":449.278,"inchikey":"YUXUTEAAGHFKKH-MKQCFFQWSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":899.5629,"smiles":"COC(=O)\\\\C=C\\\\C(O)C(O)CC\\\\C(C)=C\\\\C1C=C(C)C(C)C2C(CC(C)C)NC(=O)C12O","spectrum_id":"CCMSLIB00005721412","spectrum_index":6102},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381130-01!methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate [IIN-based: Match]","exact_mass":449.278,"inchikey":"YUXUTEAAGHFKKH-MKQCFFQWSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.2748,"smiles":"COC(=O)\\\\C=C\\\\C(O)C(O)CC\\\\C(C)=C\\\\C1C=C(C)C(C)C2C(CC(C)C)NC(=O)C12O","spectrum_id":"CCMSLIB00005721413","spectrum_index":6103},{"adduct":"[M+CH3CN+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381134-01! [IIN-based on: CCMSLIB00000846922]","exact_mass":778.355,"inchikey":"KHWHODOWEXOYIJ-NLGMUCAGSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":837.4096,"smiles":"CCCCCCCC(=O)O[C@H]1C[C@@H](C)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(C)=O)[C@@H](OC(=O)C4=CC=CC=C4)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@H]1OC(=O)C5=CC=CC=C5","spectrum_id":"CCMSLIB00005721414","spectrum_index":6104},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381134-01! [IIN-based: Match]","exact_mass":778.355,"inchikey":"KHWHODOWEXOYIJ-NLGMUCAGSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":779.3636,"smiles":"CCCCCCCC(=O)O[C@H]1C[C@@H](C)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(C)=O)[C@@H](OC(=O)C4=CC=CC=C4)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@H]1OC(=O)C5=CC=CC=C5","spectrum_id":"CCMSLIB00005721415","spectrum_index":6105},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384938-01!4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[g][1]benzofuran-6,9-dione [IIN-based: Match]","exact_mass":370.178,"inchikey":"GDSPWZDWUUGKIM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.1859,"smiles":"COC1=C(C)C(=O)C2=C(C=C(O)C3=C2OC(C)C3(C)CCC=C(C)C)C1=O","spectrum_id":"CCMSLIB00005721416","spectrum_index":6106},{"adduct":"[3M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384938-01!4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[g][1]benzofuran-6,9-dione [IIN-based on: CCMSLIB00000849091]","exact_mass":370.178,"inchikey":"GDSPWZDWUUGKIM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1133.5203,"smiles":"COC1=C(C)C(=O)C2=C(C=C(O)C3=C2OC(C)C3(C)CCC=C(C)C)C1=O","spectrum_id":"CCMSLIB00005721417","spectrum_index":6107},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180643-03!2-[(2S,3S,4S)-3-[(1S)-1-acetyloxyethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid [IIN-based: Match]","exact_mass":464.153,"inchikey":"OPKOYMHTMXJHRG-GUDQPSSMSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":482.1872,"smiles":"COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]([C@H](C)OC(C)=O)[C@@H]1CC(O)=O","spectrum_id":"CCMSLIB00005721418","spectrum_index":6108},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347593-02!2-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one [IIN-based: Match]","exact_mass":344.234,"inchikey":"DKOXVDVXOYHFHV-JTCWOHKRSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.2677,"smiles":"CC(C)=CCC\\\\C(C)=C\\\\CC\\\\C(C)=C\\\\CC12OC1C(O)C(C)=CC2=O","spectrum_id":"CCMSLIB00005721419","spectrum_index":6109},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169702-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one [IIN-based: Match]","exact_mass":294.185,"inchikey":"NLDDIKRKFXEWBK-CQSZACIVSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":312.2188,"smiles":"CCCCC[C@@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00005721420","spectrum_index":6110},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169702-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one [IIN-based on: CCMSLIB00000847635]","exact_mass":294.185,"inchikey":"NLDDIKRKFXEWBK-CQSZACIVSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.3593,"smiles":"CCCCC[C@@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00005721421","spectrum_index":6111},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169702-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one [IIN-based on: CCMSLIB00000847635]","exact_mass":294.185,"inchikey":"NLDDIKRKFXEWBK-CQSZACIVSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.1919,"smiles":"CCCCC[C@@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00005721422","spectrum_index":6112},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380799-01!5-[5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid [IIN-based: Match]","exact_mass":762.517,"inchikey":"PBYPZVMETKFGQR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":763.5244,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(O)=O","spectrum_id":"CCMSLIB00005721423","spectrum_index":6113},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380799-01!5-[5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid [IIN-based on: CCMSLIB00000846498]","exact_mass":762.517,"inchikey":"PBYPZVMETKFGQR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":745.514,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(O)=O","spectrum_id":"CCMSLIB00005721424","spectrum_index":6114},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380872-01!(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-3-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxybutanedioic acid [IIN-based on: CCMSLIB00000846495]","exact_mass":448.101,"inchikey":"YVHLLZXSGPDXOA-ZHBFVYIWSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.1087,"smiles":"COC1=C(O)C=C(\\\\C=C\\\\C(=O)O[C@H](C(O)=O)[C@](O)(CC2=CC(O)=C(O)C=C2)C(O)=O)C=C1","spectrum_id":"CCMSLIB00005721425","spectrum_index":6115},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380872-01!(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-3-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxybutanedioic acid [IIN-based: Match]","exact_mass":448.101,"inchikey":"YVHLLZXSGPDXOA-ZHBFVYIWSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":466.1348,"smiles":"COC1=C(O)C=C(\\\\C=C\\\\C(=O)O[C@H](C(O)=O)[C@](O)(CC2=CC(O)=C(O)C=C2)C(O)=O)C=C1","spectrum_id":"CCMSLIB00005721426","spectrum_index":6116},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381416-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based: Match]","exact_mass":510.27,"inchikey":"NJYYDRBRLSOFNG-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":528.3033,"smiles":"CCC(C)C(O)C(=O)OC(C(C)C)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005721427","spectrum_index":6117},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381139-01!6-benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000845834]","exact_mass":570.341,"inchikey":"RWTAMSAIOGWNBT-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":571.3484,"smiles":"CCC(C)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCCC(=O)C(C)O)NC(=O)C3CCCCN3C1=O","spectrum_id":"CCMSLIB00005721428","spectrum_index":6118},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381139-01!6-benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone [IIN-based: Match]","exact_mass":570.341,"inchikey":"RWTAMSAIOGWNBT-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":588.3738,"smiles":"CCC(C)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCCC(=O)C(C)O)NC(=O)C3CCCCN3C1=O","spectrum_id":"CCMSLIB00005721429","spectrum_index":6119},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381139-01!6-benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000845834]","exact_mass":570.341,"inchikey":"RWTAMSAIOGWNBT-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1141.6891,"smiles":"CCC(C)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCCC(=O)C(C)O)NC(=O)C3CCCCN3C1=O","spectrum_id":"CCMSLIB00005721430","spectrum_index":6120},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385431-01!2-(1,2-dihydroxyethyl)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid [IIN-based on: CCMSLIB00000848522]","exact_mass":382.089,"inchikey":"LYTOSEBVFHNSFK-DUXPYHPUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":782.2136,"smiles":"OCC(O)C1OC(=CC(O)C1OC(=O)\\\\C=C\\\\C2=CC=C(O)C(O)=C2)C(O)=O","spectrum_id":"CCMSLIB00005721431","spectrum_index":6121},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385431-01!2-(1,2-dihydroxyethyl)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid [IIN-based: Match]","exact_mass":382.089,"inchikey":"LYTOSEBVFHNSFK-DUXPYHPUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.0961,"smiles":"OCC(O)C1OC(=CC(O)C1OC(=O)\\\\C=C\\\\C2=CC=C(O)C(O)=C2)C(O)=O","spectrum_id":"CCMSLIB00005721432","spectrum_index":6122},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384646-01!(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one [IIN-based: Match]","exact_mass":310.158,"inchikey":"NJVADEFPOCMONF-LGTGAQBVSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.1651,"smiles":"CC(C)=CC1C[C@](C)(C=C)C2=C(O1)C3=C(C)C=CC=C3OC2=O","spectrum_id":"CCMSLIB00005721433","spectrum_index":6123},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384646-01!(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one [IIN-based on: CCMSLIB00000846008]","exact_mass":310.158,"inchikey":"NJVADEFPOCMONF-LGTGAQBVSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":643.3073,"smiles":"CC(C)=CC1C[C@](C)(C=C)C2=C(O1)C3=C(C)C=CC=C3OC2=O","spectrum_id":"CCMSLIB00005721434","spectrum_index":6124},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384646-01!(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one [IIN-based on: CCMSLIB00000846008]","exact_mass":310.158,"inchikey":"NJVADEFPOCMONF-LGTGAQBVSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.1475,"smiles":"CC(C)=CC1C[C@](C)(C=C)C2=C(O1)C3=C(C)C=CC=C3OC2=O","spectrum_id":"CCMSLIB00005721435","spectrum_index":6125},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247490-02!(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid [IIN-based on: CCMSLIB00000846001]","exact_mass":194.059,"inchikey":"QURCVMIEKCOAJU-HWKANZROSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.1079,"smiles":"COC1=C(O)C=C(\\\\C=C\\\\C(O)=O)C=C1","spectrum_id":"CCMSLIB00005721436","spectrum_index":6126},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247490-02!(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid [IIN-based: Match]","exact_mass":194.059,"inchikey":"QURCVMIEKCOAJU-HWKANZROSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":195.0657,"smiles":"COC1=C(O)C=C(\\\\C=C\\\\C(O)=O)C=C1","spectrum_id":"CCMSLIB00005721437","spectrum_index":6127},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247490-02!(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid [IIN-based on: CCMSLIB00000846001]","exact_mass":194.059,"inchikey":"QURCVMIEKCOAJU-HWKANZROSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":217.048,"smiles":"COC1=C(O)C=C(\\\\C=C\\\\C(O)=O)C=C1","spectrum_id":"CCMSLIB00005721438","spectrum_index":6128},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180087-02!5-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one [IIN-based on: CCMSLIB00000846526]","exact_mass":230.153,"inchikey":"KWEIJKWXQKCOKC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":478.3395,"smiles":"CCC(C)CCC(O)C1CC(CO)OC1=O","spectrum_id":"CCMSLIB00005721439","spectrum_index":6129},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180087-02!5-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one [IIN-based on: CCMSLIB00000846526]","exact_mass":230.153,"inchikey":"KWEIJKWXQKCOKC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":483.2951,"smiles":"CCC(C)CCC(O)C1CC(CO)OC1=O","spectrum_id":"CCMSLIB00005721440","spectrum_index":6130},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180087-02!5-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one [IIN-based on: CCMSLIB00000846526]","exact_mass":230.153,"inchikey":"KWEIJKWXQKCOKC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.3128,"smiles":"CCC(C)CCC(O)C1CC(CO)OC1=O","spectrum_id":"CCMSLIB00005721441","spectrum_index":6131},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180087-02!5-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one [IIN-based: Match]","exact_mass":230.153,"inchikey":"KWEIJKWXQKCOKC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":248.187,"smiles":"CCC(C)CCC(O)C1CC(CO)OC1=O","spectrum_id":"CCMSLIB00005721442","spectrum_index":6132},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380708-01!dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate [IIN-based on: CCMSLIB00000846531]","exact_mass":356.127,"inchikey":"OEWCQSJKSNWJTH-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":730.2896,"smiles":"COC(=O)C1C(C(C1C2=CC=C(O)C=C2)C(=O)OC)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00005721443","spectrum_index":6133},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380708-01!dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate [IIN-based: Match]","exact_mass":356.127,"inchikey":"OEWCQSJKSNWJTH-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.1599,"smiles":"COC(=O)C1C(C(C1C2=CC=C(O)C=C2)C(=O)OC)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00005721444","spectrum_index":6134},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380708-01!dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate [IIN-based on: CCMSLIB00000846531]","exact_mass":356.127,"inchikey":"OEWCQSJKSNWJTH-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.1334,"smiles":"COC(=O)C1C(C(C1C2=CC=C(O)C=C2)C(=O)OC)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00005721445","spectrum_index":6135},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384784-01!5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one [IIN-based on: CCMSLIB00000846659]","exact_mass":314.153,"inchikey":"ZBFSUZGUYFFWGY-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":646.3393,"smiles":"OC(CCC1=CC=C(O)C=C1)CC(=O)CCC2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00005721446","spectrum_index":6136},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384784-01!5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one [IIN-based: Match]","exact_mass":314.153,"inchikey":"ZBFSUZGUYFFWGY-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":332.1865,"smiles":"OC(CCC1=CC=C(O)C=C1)CC(=O)CCC2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00005721447","spectrum_index":6137},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381075-01!3-(2,4-dihydroxypentyl)-6,8-dimethoxyisochromen-1-one [IIN-based on: CCMSLIB00000847759]","exact_mass":308.126,"inchikey":"UGHXSOJROIYABR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":617.2589,"smiles":"COC1=CC(OC)=C2C(=O)OC(CC(O)CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00005721448","spectrum_index":6138},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381075-01!3-(2,4-dihydroxypentyl)-6,8-dimethoxyisochromen-1-one [IIN-based: Match]","exact_mass":308.126,"inchikey":"UGHXSOJROIYABR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.1333,"smiles":"COC1=CC(OC)=C2C(=O)OC(CC(O)CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00005721449","spectrum_index":6139},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381075-01!3-(2,4-dihydroxypentyl)-6,8-dimethoxyisochromen-1-one [IIN-based on: CCMSLIB00000847759]","exact_mass":308.126,"inchikey":"UGHXSOJROIYABR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":634.2856,"smiles":"COC1=CC(OC)=C2C(=O)OC(CC(O)CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00005721450","spectrum_index":6140},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384776-01![6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based: Match]","exact_mass":600.109,"inchikey":"STMNAPXMGWBZSF-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":601.1191,"smiles":"OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C=C5)C(O)C1O","spectrum_id":"CCMSLIB00005721451","spectrum_index":6141},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179757-02![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 4-hydroxybenzoate [IIN-based: Match]","exact_mass":392.112,"inchikey":"FTFZXPBVBBJTHV-OGJJZOIMSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":410.1453,"smiles":"O[C@@H]1[C@@H](COC(=O)C2=CC=C(O)C=C2)O[C@@H](OC3=CC=C(O)C=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721452","spectrum_index":6142},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016327-13!4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one [IIN-based on: CCMSLIB00000849010]","exact_mass":260.069,"inchikey":"HSMPDPBYAYSOBC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.0574,"smiles":"COC1=C2OC(C)=CC(=O)C2=C(OC)C3=C1OC=C3","spectrum_id":"CCMSLIB00005721453","spectrum_index":6143},{"adduct":"[3M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016327-13!4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one [IIN-based on: CCMSLIB00000849010]","exact_mass":260.069,"inchikey":"HSMPDPBYAYSOBC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":803.1961,"smiles":"COC1=C2OC(C)=CC(=O)C2=C(OC)C3=C1OC=C3","spectrum_id":"CCMSLIB00005721454","spectrum_index":6144},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016327-13!4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one [IIN-based: Match]","exact_mass":260.069,"inchikey":"HSMPDPBYAYSOBC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.0755,"smiles":"COC1=C2OC(C)=CC(=O)C2=C(OC)C3=C1OC=C3","spectrum_id":"CCMSLIB00005721455","spectrum_index":6145},{"adduct":"[4M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00016327-13!4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one [IIN-based on: CCMSLIB00000849010]","exact_mass":260.069,"inchikey":"HSMPDPBYAYSOBC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.1197,"smiles":"COC1=C2OC(C)=CC(=O)C2=C(OC)C3=C1OC=C3","spectrum_id":"CCMSLIB00005721456","spectrum_index":6146},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384529-01!5,7-dihydroxy-2-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one [IIN-based: Match]","exact_mass":354.096,"inchikey":"UDTUCCXZNVRBEJ-PBVFJORSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.1038,"smiles":"CC1=CC(=O)C2=C(O)C=C(O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2O1","spectrum_id":"CCMSLIB00005721457","spectrum_index":6147},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384660-01!8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one [IIN-based: Match]","exact_mass":246.09,"inchikey":"YRAQEMCYCSSHJG-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.0976,"smiles":"CC(C)(O)C1CC2=C3OC(=O)C=CC3=CC=C2O1","spectrum_id":"CCMSLIB00005721458","spectrum_index":6148},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384660-01!8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one [IIN-based on: CCMSLIB00000848272]","exact_mass":246.09,"inchikey":"YRAQEMCYCSSHJG-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.1879,"smiles":"CC(C)(O)C1CC2=C3OC(=O)C=CC3=CC=C2O1","spectrum_id":"CCMSLIB00005721459","spectrum_index":6149},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384660-01!8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one [IIN-based on: CCMSLIB00000848272]","exact_mass":246.09,"inchikey":"YRAQEMCYCSSHJG-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":515.1707,"smiles":"CC(C)(O)C1CC2=C3OC(=O)C=CC3=CC=C2O1","spectrum_id":"CCMSLIB00005721460","spectrum_index":6150},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380168-01!3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based: Match]","exact_mass":412.153,"inchikey":"CGEQZXRFQKBBQJ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":430.1872,"smiles":"COC1=CC(C)=C(OC2=CC(OC)=CC(C)=C2OC3=CC(C)=CC(O)=C3O)C(O)=C1","spectrum_id":"CCMSLIB00005721461","spectrum_index":6151},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380168-01!3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based on: CCMSLIB00000845017]","exact_mass":412.153,"inchikey":"CGEQZXRFQKBBQJ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.1608,"smiles":"COC1=CC(C)=C(OC2=CC(OC)=CC(C)=C2OC3=CC(C)=CC(O)=C3O)C(O)=C1","spectrum_id":"CCMSLIB00005721462","spectrum_index":6152},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380168-01!3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based on: CCMSLIB00000845017]","exact_mass":412.153,"inchikey":"CGEQZXRFQKBBQJ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":842.3383,"smiles":"COC1=CC(C)=C(OC2=CC(OC)=CC(C)=C2OC3=CC(C)=CC(O)=C3O)C(O)=C1","spectrum_id":"CCMSLIB00005721463","spectrum_index":6153},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380169-01!4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,3-dihydroxy-2-methylbutanoic acid [IIN-based: Match]","exact_mass":312.086,"inchikey":"RUEPXZDDWQCITK-HWKANZROSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.093,"smiles":"CC(O)(C(O)COC(=O)\\\\C=C\\\\C1=CC(O)=C(O)C=C1)C(O)=O","spectrum_id":"CCMSLIB00005721464","spectrum_index":6154},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380722-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate [IIN-based: Match]","exact_mass":528.128,"inchikey":"CIQDSZUZMUTHGY-FUFTYFEXSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":529.136,"smiles":"OC[C@H]1O[C@H]([C@H](OC(=O)C2=CC=C(O)C=C2)[C@@H](O)[C@@H]1O)C3=C(O)C(C(=O)C4=CC=C(O)C=C4)=C(O)C=C3O","spectrum_id":"CCMSLIB00005721465","spectrum_index":6155},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380722-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate [IIN-based on: CCMSLIB00000847571]","exact_mass":528.128,"inchikey":"CIQDSZUZMUTHGY-FUFTYFEXSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.118,"smiles":"OC[C@H]1O[C@H]([C@H](OC(=O)C2=CC=C(O)C=C2)[C@@H](O)[C@@H]1O)C3=C(O)C(C(=O)C4=CC=C(O)C=C4)=C(O)C=C3O","spectrum_id":"CCMSLIB00005721466","spectrum_index":6156},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163596-04!5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one [IIN-based: Match]","exact_mass":464.097,"inchikey":"DCYOADKBABEMIQ-OWMUPTOHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.1034,"smiles":"C[C@@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C4=CC(O)=C(O)C(O)=C4)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721467","spectrum_index":6157},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381078-01!3-[4-hydroxy-5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(2-oxochromen-7-yl)oxypropanoic acid [IIN-based on: CCMSLIB00000848198]","exact_mass":534.135,"inchikey":"JTLPHVAPUJVXEJ-AYXSYUOHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.143,"smiles":"COC1=C(O)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CC(OC3=CC=C4C=CC(=O)OC4=C3)C(O)=O)=C1","spectrum_id":"CCMSLIB00005721468","spectrum_index":6158},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381078-01!3-[4-hydroxy-5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(2-oxochromen-7-yl)oxypropanoic acid [IIN-based: Match]","exact_mass":534.135,"inchikey":"JTLPHVAPUJVXEJ-AYXSYUOHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":552.1697,"smiles":"COC1=C(O)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CC(OC3=CC=C4C=CC(=O)OC4=C3)C(O)=O)=C1","spectrum_id":"CCMSLIB00005721469","spectrum_index":6159},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385796-01![(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based on: CCMSLIB00000848200]","exact_mass":592.31,"inchikey":"ZXONCHMIIHLRHD-INRWEYHGSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":615.2984,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(C)=O","spectrum_id":"CCMSLIB00005721470","spectrum_index":6160},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385796-01![(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based on: CCMSLIB00000848200]","exact_mass":592.31,"inchikey":"ZXONCHMIIHLRHD-INRWEYHGSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":610.3437,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(C)=O","spectrum_id":"CCMSLIB00005721471","spectrum_index":6161},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385796-01![(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based: Match]","exact_mass":592.31,"inchikey":"ZXONCHMIIHLRHD-INRWEYHGSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":575.3064,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(C)=O","spectrum_id":"CCMSLIB00005721472","spectrum_index":6162},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347669-02!4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid [IIN-based: Match]","exact_mass":446.143,"inchikey":"YTEWAPMLXIWBPY-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.1495,"smiles":"COC(CC(OC1OC(CO)C(O)C(O)C1O)C2=C(O)C=CC(C(C)=O)=C2O)C(O)=O","spectrum_id":"CCMSLIB00005721473","spectrum_index":6163},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384722-02!5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":610.188,"inchikey":"QUQPHWDTPGMPEX-LLHRBZKSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":628.2239,"smiles":"COC1=C(O)C=C(C=C1)C2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2","spectrum_id":"CCMSLIB00005721474","spectrum_index":6164},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384722-02!5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000849045]","exact_mass":610.188,"inchikey":"QUQPHWDTPGMPEX-LLHRBZKSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1221.382,"smiles":"COC1=C(O)C=C(C=C1)C2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2","spectrum_id":"CCMSLIB00005721475","spectrum_index":6165},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180809-02!4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000845053]","exact_mass":270.089,"inchikey":"IGWDEVSBEKYORK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":558.2126,"smiles":"CC(C)=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3","spectrum_id":"CCMSLIB00005721476","spectrum_index":6166},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180809-02!4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":270.089,"inchikey":"IGWDEVSBEKYORK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.123,"smiles":"CC(C)=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3","spectrum_id":"CCMSLIB00005721477","spectrum_index":6167},{"adduct":"[5M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00180809-02!4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000845053]","exact_mass":270.089,"inchikey":"IGWDEVSBEKYORK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":695.206,"smiles":"CC(C)=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3","spectrum_id":"CCMSLIB00005721478","spectrum_index":6168},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385314-01!3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one [IIN-based: Match]","exact_mass":802.216,"inchikey":"NVYWCFHFPXGDKS-CWKIFMPXSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":803.2243,"smiles":"COC1=C(O)C=CC(=C1)C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]5OC[C@](O)(CO)[C@H]5O)C(=O)C6=C(O)C(OC)=C(O)C=C6O2","spectrum_id":"CCMSLIB00005721479","spectrum_index":6169},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180623-02!(4-hydroxyphenyl)-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methanone [IIN-based: Match]","exact_mass":408.107,"inchikey":"BZYKNVLTMWYEFA-ZJKJAXBQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.1134,"smiles":"OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C(C(=O)C3=CC=C(O)C=C3)=C(O)C=C2O","spectrum_id":"CCMSLIB00005721480","spectrum_index":6170},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380572-01!4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol [IIN-based on: CCMSLIB00000847713]","exact_mass":418.165,"inchikey":"KOWMJRJXZMEZLD-GKHNXXNSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":837.3356,"smiles":"COC1=CC(=CC(OC)=C1O)[C@H]2OC[C@H]3[C@@H]2CO[C@H]3C4=CC(OC)=C(O)C(OC)=C4","spectrum_id":"CCMSLIB00005721481","spectrum_index":6171},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380572-01!4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol [IIN-based on: CCMSLIB00000847713]","exact_mass":418.165,"inchikey":"KOWMJRJXZMEZLD-GKHNXXNSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.1619,"smiles":"COC1=CC(=CC(OC)=C1O)[C@H]2OC[C@H]3[C@@H]2CO[C@H]3C4=CC(OC)=C(O)C(OC)=C4","spectrum_id":"CCMSLIB00005721482","spectrum_index":6172},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380572-01!4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol [IIN-based on: CCMSLIB00000847713]","exact_mass":418.165,"inchikey":"KOWMJRJXZMEZLD-GKHNXXNSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":854.3613,"smiles":"COC1=CC(=CC(OC)=C1O)[C@H]2OC[C@H]3[C@@H]2CO[C@H]3C4=CC(OC)=C(O)C(OC)=C4","spectrum_id":"CCMSLIB00005721483","spectrum_index":6173},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380572-01!4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol [IIN-based: Match]","exact_mass":418.165,"inchikey":"KOWMJRJXZMEZLD-GKHNXXNSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.173,"smiles":"COC1=CC(=CC(OC)=C1O)[C@H]2OC[C@H]3[C@@H]2CO[C@H]3C4=CC(OC)=C(O)C(OC)=C4","spectrum_id":"CCMSLIB00005721484","spectrum_index":6174},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180232-02!7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-one [IIN-based on: CCMSLIB00000847711]","exact_mass":330.147,"inchikey":"OAGXTVOZBKKJKA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":348.1813,"smiles":"OC(CCC1=CC(O)=C(O)C=C1)CC(=O)CCC2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00005721485","spectrum_index":6175},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180232-02!7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-one [IIN-based on: CCMSLIB00000847711]","exact_mass":330.147,"inchikey":"OAGXTVOZBKKJKA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":678.3275,"smiles":"OC(CCC1=CC(O)=C(O)C=C1)CC(=O)CCC2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00005721486","spectrum_index":6176},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180232-02!7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-one [IIN-based: Match]","exact_mass":330.147,"inchikey":"OAGXTVOZBKKJKA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.1559,"smiles":"OC(CCC1=CC(O)=C(O)C=C1)CC(=O)CCC2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00005721487","spectrum_index":6177},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385945-01!1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-dimethyl-3,4-dihydro-1H-naphthalene-2,7-diol [IIN-based: Match]","exact_mass":344.161,"inchikey":"XQAQIFDOJYUBEV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.1587,"smiles":"COC1=C(O)C=CC(=C1)C2C3=CC(O)=C(OC)C=C3CC(C)C2(C)O","spectrum_id":"CCMSLIB00005721488","spectrum_index":6178},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347819-02! [IIN-based on: CCMSLIB00000846894]","exact_mass":322.12,"inchikey":"NSNGIRMJTMEZBF-YJKZWKBDSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":667.2288,"smiles":"C[C@@]12CC[C@H]3[C@@H]1C=C4C(=O)C5=CC=CC=C5C(=O)[C@]4(O2)[C@@]3(C)C=O","spectrum_id":"CCMSLIB00005721489","spectrum_index":6179},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347819-02! [IIN-based: Match]","exact_mass":322.12,"inchikey":"NSNGIRMJTMEZBF-YJKZWKBDSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.1278,"smiles":"C[C@@]12CC[C@H]3[C@@H]1C=C4C(=O)C5=CC=CC=C5C(=O)[C@]4(O2)[C@@]3(C)C=O","spectrum_id":"CCMSLIB00005721490","spectrum_index":6180},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based: Match]","exact_mass":342.206,"inchikey":"QFZISQBFEIXWDM-UTLPMFLDSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.2021,"smiles":"CC(CCCCC(O)C(CO)C(O)=O)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005721491","spectrum_index":6181},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based on: CCMSLIB00000847643]","exact_mass":342.206,"inchikey":"QFZISQBFEIXWDM-UTLPMFLDSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.1945,"smiles":"CC(CCCCC(O)C(CO)C(O)=O)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005721492","spectrum_index":6182},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based on: CCMSLIB00000847643]","exact_mass":342.206,"inchikey":"QFZISQBFEIXWDM-UTLPMFLDSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":707.4008,"smiles":"CC(CCCCC(O)C(CO)C(O)=O)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005721493","spectrum_index":6183},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based on: CCMSLIB00000847643]","exact_mass":342.206,"inchikey":"QFZISQBFEIXWDM-UTLPMFLDSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":685.4205,"smiles":"CC(CCCCC(O)C(CO)C(O)=O)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005721494","spectrum_index":6184},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170012-03!5-hydroxy-3-[(2S,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-yl]oxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one [IIN-based on: CCMSLIB00000847646]","exact_mass":578.166,"inchikey":"TXCAFRVNHJUDMI-AOHWRSHGSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1157.3381,"smiles":"COC1=CC2=C(C(=O)C(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(O2)C5=CC=C(O)C=C5)C(O)=C1","spectrum_id":"CCMSLIB00005721495","spectrum_index":6185},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170012-03!5-hydroxy-3-[(2S,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-yl]oxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one [IIN-based: Match]","exact_mass":578.166,"inchikey":"TXCAFRVNHJUDMI-AOHWRSHGSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.1728,"smiles":"COC1=CC2=C(C(=O)C(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(O2)C5=CC=C(O)C=C5)C(O)=C1","spectrum_id":"CCMSLIB00005721496","spectrum_index":6186},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380848-01!(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol [IIN-based on: CCMSLIB00000847648]","exact_mass":1052.54,"inchikey":"MERWGCAXAUTKAC-JOGZPFRESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1035.5342,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4C[C@@H](C)[C@](C)(CC[C@](C)(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C=C)[C@H]7CCC=C(C)[C@]47C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721497","spectrum_index":6187},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380848-01!(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol [IIN-based: Match]","exact_mass":1052.54,"inchikey":"MERWGCAXAUTKAC-JOGZPFRESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1053.5445,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4C[C@@H](C)[C@](C)(CC[C@](C)(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C=C)[C@H]7CCC=C(C)[C@]47C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721498","spectrum_index":6188},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169209-03![17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-3-hydroxy-4,4,9,13,14-pentamethyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate [IIN-based on: CCMSLIB00000847647]","exact_mass":710.427,"inchikey":"VJWYQRXPCZNDKS-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1438.8883,"smiles":"CC(=O)OC1CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O","spectrum_id":"CCMSLIB00005721499","spectrum_index":6189},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169209-03![17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-3-hydroxy-4,4,9,13,14-pentamethyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate [IIN-based: Match]","exact_mass":710.427,"inchikey":"VJWYQRXPCZNDKS-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":728.4625,"smiles":"CC(=O)OC1CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O","spectrum_id":"CCMSLIB00005721500","spectrum_index":6190},{"adduct":"[2M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180305-02! [IIN-based on: CCMSLIB00000847888]","exact_mass":410.137,"inchikey":"JFVKWCYZKMUTLH-GRWTVWFQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":785.2606,"smiles":"COC1=C(OC)C=C2C(OC[C@@H]3OC4=C(C=CC5=C4C[C@H](O5)C(C)=C)C(=O)[C@]23O)=C1","spectrum_id":"CCMSLIB00005721501","spectrum_index":6191},{"adduct":"[2M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180305-02! [IIN-based on: CCMSLIB00000847888]","exact_mass":410.137,"inchikey":"JFVKWCYZKMUTLH-GRWTVWFQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":803.2716,"smiles":"COC1=C(OC)C=C2C(OC[C@@H]3OC4=C(C=CC5=C4C[C@H](O5)C(C)=C)C(=O)[C@]23O)=C1","spectrum_id":"CCMSLIB00005721502","spectrum_index":6192},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180305-02! [IIN-based: Match]","exact_mass":410.137,"inchikey":"JFVKWCYZKMUTLH-GRWTVWFQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.1341,"smiles":"COC1=C(OC)C=C2C(OC[C@@H]3OC4=C(C=CC5=C4C[C@H](O5)C(C)=C)C(=O)[C@]23O)=C1","spectrum_id":"CCMSLIB00005721503","spectrum_index":6193},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180305-02! [IIN-based on: CCMSLIB00000847888]","exact_mass":410.137,"inchikey":"JFVKWCYZKMUTLH-GRWTVWFQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.1446,"smiles":"COC1=C(OC)C=C2C(OC[C@@H]3OC4=C(C=CC5=C4C[C@H](O5)C(C)=C)C(=O)[C@]23O)=C1","spectrum_id":"CCMSLIB00005721504","spectrum_index":6194},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180273-02!7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":434.122,"inchikey":"MFQIWHVVFBCURA-LKBAIHPRSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.1108,"smiles":"OC[C@H]1O[C@@H](OC2=C3C(=O)CC(OC3=CC(O)=C2)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721505","spectrum_index":6195},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00246789-03![3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate [IIN-based on: CCMSLIB00000845926]","exact_mass":339.169,"inchikey":"UFDHNJJHPSGMFX-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":679.343,"smiles":"CC1CC(C)(CC(C(O)CC2CC(=O)NC(=O)C2)C1=O)OC(C)=O","spectrum_id":"CCMSLIB00005721506","spectrum_index":6196},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00246789-03![3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate [IIN-based: Match]","exact_mass":339.169,"inchikey":"UFDHNJJHPSGMFX-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.2031,"smiles":"CC1CC(C)(CC(C(O)CC2CC(=O)NC(=O)C2)C1=O)OC(C)=O","spectrum_id":"CCMSLIB00005721507","spectrum_index":6197},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00246789-03![3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate [IIN-based on: CCMSLIB00000845926]","exact_mass":339.169,"inchikey":"UFDHNJJHPSGMFX-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":701.3251,"smiles":"CC1CC(C)(CC(C(O)CC2CC(=O)NC(=O)C2)C1=O)OC(C)=O","spectrum_id":"CCMSLIB00005721508","spectrum_index":6198},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347544-02!4-hydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-5-(3-methylbut-2-enyl)benzoic acid [IIN-based on: CCMSLIB00000847652]","exact_mass":374.209,"inchikey":"LQMRAHHWCLZHQD-ZHACJKMWSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.1952,"smiles":"CC(CCC1=CC(=CC(CC=C(C)C)=C1O)C(O)=O)C(=O)\\\\C=C\\\\C(C)(C)O","spectrum_id":"CCMSLIB00005721509","spectrum_index":6199},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347544-02!4-hydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-5-(3-methylbut-2-enyl)benzoic acid [IIN-based on: CCMSLIB00000847652]","exact_mass":374.209,"inchikey":"LQMRAHHWCLZHQD-ZHACJKMWSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":771.4072,"smiles":"CC(CCC1=CC(=CC(CC=C(C)C)=C1O)C(O)=O)C(=O)\\\\C=C\\\\C(C)(C)O","spectrum_id":"CCMSLIB00005721510","spectrum_index":6200},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347544-02!4-hydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-5-(3-methylbut-2-enyl)benzoic acid [IIN-based: Match]","exact_mass":374.209,"inchikey":"LQMRAHHWCLZHQD-ZHACJKMWSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.2056,"smiles":"CC(CCC1=CC(=CC(CC=C(C)C)=C1O)C(O)=O)C(=O)\\\\C=C\\\\C(C)(C)O","spectrum_id":"CCMSLIB00005721511","spectrum_index":6201},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385785-01!(2R,3R,4S,5S,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":452.131,"inchikey":"YOVYWMDLYSJYPO-ANWIJZKESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.1387,"smiles":"OC[C@H]1O[C@@H](OC2CC3=C(O)C=C(O)C=C3OC2C4=CC(O)=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721512","spectrum_index":6202},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179935-02!(5S)-1,7-bis(3,4-dihydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one [IIN-based: Match]","exact_mass":478.186,"inchikey":"AQRNEKDRSXYJIN-IRFILORWSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":496.2186,"smiles":"O[C@@H]1CO[C@@H](O[C@@H](CCC2=CC(O)=C(O)C=C2)CC(=O)CCC3=CC(O)=C(O)C=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721513","spectrum_index":6203},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385319-01!4-[2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":466.147,"inchikey":"VCJBNRNRYLKSGX-NUTNSJPXSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":484.1808,"smiles":"CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4","spectrum_id":"CCMSLIB00005721514","spectrum_index":6204},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385319-01!4-[2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000846431]","exact_mass":466.147,"inchikey":"VCJBNRNRYLKSGX-NUTNSJPXSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":933.3003,"smiles":"CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4","spectrum_id":"CCMSLIB00005721515","spectrum_index":6205},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385327-01!(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":610.188,"inchikey":"ARGKVCXINMKCAZ-UZRWAPQLSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.1957,"smiles":"COC1=C(O)C=C(C=C1)[C@@H]2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C3O2","spectrum_id":"CCMSLIB00005721516","spectrum_index":6206},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017270-07!7,8-dihydroxy-6-methoxychromen-2-one [IIN-based on: CCMSLIB00000845657]","exact_mass":208.038,"inchikey":"HAVWRBANWNTOJX-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.066,"smiles":"COC1=C(O)C(O)=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00005721517","spectrum_index":6207},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017270-07!7,8-dihydroxy-6-methoxychromen-2-one [IIN-based: Match]","exact_mass":208.038,"inchikey":"HAVWRBANWNTOJX-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":209.0451,"smiles":"COC1=C(O)C(O)=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00005721518","spectrum_index":6208},{"adduct":"[5M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00017270-07!7,8-dihydroxy-6-methoxychromen-2-one [IIN-based on: CCMSLIB00000845657]","exact_mass":208.038,"inchikey":"HAVWRBANWNTOJX-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.0773,"smiles":"COC1=C(O)C(O)=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00005721519","spectrum_index":6209},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017270-07!7,8-dihydroxy-6-methoxychromen-2-one [IIN-based on: CCMSLIB00000845657]","exact_mass":208.038,"inchikey":"HAVWRBANWNTOJX-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.1104,"smiles":"COC1=C(O)C(O)=C2OC(=O)C=CC2=C1","spectrum_id":"CCMSLIB00005721520","spectrum_index":6210},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384548-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]","exact_mass":540.165,"inchikey":"QACRJXSXSVUOFZ-HINKZNOMSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":541.173,"smiles":"CC(=O)CC1=CC(=O)C2=C(C)C=C(O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)\\\\C=C\\\\C4=CC=C(O)C=C4)=C2O1","spectrum_id":"CCMSLIB00005721521","spectrum_index":6211},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384548-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000845675]","exact_mass":540.165,"inchikey":"QACRJXSXSVUOFZ-HINKZNOMSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1081.332,"smiles":"CC(=O)CC1=CC(=O)C2=C(C)C=C(O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)\\\\C=C\\\\C4=CC=C(O)C=C4)=C2O1","spectrum_id":"CCMSLIB00005721522","spectrum_index":6212},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384546-01!7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-methoxychromen-2-one [IIN-based: Match]","exact_mass":646.212,"inchikey":"LLQBCHODNVGKSF-RVXDDWIJSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":647.2217,"smiles":"COC1=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C=C5OC(=O)C=CC5=C1","spectrum_id":"CCMSLIB00005721523","spectrum_index":6213},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180806-02!9-[[3-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)methyl]oxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":382.105,"inchikey":"CISFAPDYRQPRCZ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.1381,"smiles":"CC1=CC(CC2(C)OC2COC3=C4OC(=O)C=CC4=CC5=C3OC=C5)OC1=O","spectrum_id":"CCMSLIB00005721524","spectrum_index":6214},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380822-01!1-[(Z)-but-2-en-2-yl]-8-chloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one [IIN-based on: CCMSLIB00000848321]","exact_mass":360.076,"inchikey":"KZPINWADEGOBQG-YVMONPNESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.0826,"smiles":"C\\\\C=C(\\\\C)C1=CC(O)=C(C)C2=C1OC3=CC(O)=C(Cl)C(C)=C3C(=O)O2","spectrum_id":"CCMSLIB00005721525","spectrum_index":6215},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380822-01!1-[(Z)-but-2-en-2-yl]-8-chloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one [IIN-based: Match]","exact_mass":360.076,"inchikey":"KZPINWADEGOBQG-YVMONPNESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.1091,"smiles":"C\\\\C=C(\\\\C)C1=CC(O)=C(C)C2=C1OC3=CC(O)=C(Cl)C(C)=C3C(=O)O2","spectrum_id":"CCMSLIB00005721526","spectrum_index":6216},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380822-01!1-[(Z)-but-2-en-2-yl]-8-chloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one [IIN-based on: CCMSLIB00000848321]","exact_mass":360.076,"inchikey":"KZPINWADEGOBQG-YVMONPNESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":738.1867,"smiles":"C\\\\C=C(\\\\C)C1=CC(O)=C(C)C2=C1OC3=CC(O)=C(Cl)C(C)=C3C(=O)O2","spectrum_id":"CCMSLIB00005721527","spectrum_index":6217},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380298-01!1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol [IIN-based on: CCMSLIB00000848242]","exact_mass":332.164,"inchikey":"FLLRZSQAKUHACV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":682.36,"smiles":"CC1=CC(OC2=CC(O)=C(CC(O)C(C)(C)O)C(C)=C2)=CC(O)=C1","spectrum_id":"CCMSLIB00005721528","spectrum_index":6218},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380298-01!1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol [IIN-based: Match]","exact_mass":332.164,"inchikey":"FLLRZSQAKUHACV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.1716,"smiles":"CC1=CC(OC2=CC(O)=C(CC(O)C(C)(C)O)C(C)=C2)=CC(O)=C1","spectrum_id":"CCMSLIB00005721529","spectrum_index":6219},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380298-01!1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol [IIN-based on: CCMSLIB00000848242]","exact_mass":332.164,"inchikey":"FLLRZSQAKUHACV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":665.3326,"smiles":"CC1=CC(OC2=CC(O)=C(CC(O)C(C)(C)O)C(C)=C2)=CC(O)=C1","spectrum_id":"CCMSLIB00005721530","spectrum_index":6220},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380298-01!1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol [IIN-based on: CCMSLIB00000848242]","exact_mass":332.164,"inchikey":"FLLRZSQAKUHACV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.1605,"smiles":"CC1=CC(OC2=CC(O)=C(CC(O)C(C)(C)O)C(C)=C2)=CC(O)=C1","spectrum_id":"CCMSLIB00005721531","spectrum_index":6221},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380190-01!3,15,21-tris[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]docosanoic acid [IIN-based: Match]","exact_mass":874.48,"inchikey":"ZPUOWQZPFGUNIS-JIKMCCCNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":892.5112,"smiles":"CC(CCCCCC(CCCCCCCCCCCC(CC(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00005721532","spectrum_index":6222},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381375-01!(6E)-heptadeca-6,16-diene-1,2,4-triol [IIN-based: Match]","exact_mass":284.236,"inchikey":"XGZOTDFONIAWEC-VAWYXSNFSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.2433,"smiles":"OCC(O)CC(O)C\\\\C=C\\\\CCCCCCCCC=C","spectrum_id":"CCMSLIB00005721533","spectrum_index":6223},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381375-01!(6E)-heptadeca-6,16-diene-1,2,4-triol [IIN-based on: CCMSLIB00000846358]","exact_mass":284.236,"inchikey":"XGZOTDFONIAWEC-VAWYXSNFSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":591.4622,"smiles":"OCC(O)CC(O)C\\\\C=C\\\\CCCCCCCCC=C","spectrum_id":"CCMSLIB00005721534","spectrum_index":6224},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381375-01!(6E)-heptadeca-6,16-diene-1,2,4-triol [IIN-based on: CCMSLIB00000846358]","exact_mass":284.236,"inchikey":"XGZOTDFONIAWEC-VAWYXSNFSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.225,"smiles":"OCC(O)CC(O)C\\\\C=C\\\\CCCCCCCCC=C","spectrum_id":"CCMSLIB00005721535","spectrum_index":6225},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169091-02!4-methoxy-6-[2-(4-methoxyphenyl)ethyl]pyran-2-one [IIN-based on: CCMSLIB00000846463]","exact_mass":260.104,"inchikey":"CZCOHVXNUPVUBC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.199,"smiles":"COC1=CC=C(CCC2=CC(OC)=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005721536","spectrum_index":6226},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169091-02!4-methoxy-6-[2-(4-methoxyphenyl)ethyl]pyran-2-one [IIN-based: Match]","exact_mass":260.104,"inchikey":"CZCOHVXNUPVUBC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":278.1382,"smiles":"COC1=CC=C(CCC2=CC(OC)=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005721537","spectrum_index":6227},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169091-02!4-methoxy-6-[2-(4-methoxyphenyl)ethyl]pyran-2-one [IIN-based on: CCMSLIB00000846463]","exact_mass":260.104,"inchikey":"CZCOHVXNUPVUBC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.2167,"smiles":"COC1=CC=C(CCC2=CC(OC)=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005721538","spectrum_index":6228},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385521-01![1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate [IIN-based on: CCMSLIB00000846469]","exact_mass":316.131,"inchikey":"MHJLKHNHGMUAPQ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":655.2505,"smiles":"COC1=CC=C(C=C1)C(O)C(C)OC(=O)C2=CC=C(OC)C=C2","spectrum_id":"CCMSLIB00005721539","spectrum_index":6229},{"adduct":"[4M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00385521-01![1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate [IIN-based on: CCMSLIB00000846469]","exact_mass":316.131,"inchikey":"MHJLKHNHGMUAPQ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":652.2447,"smiles":"COC1=CC=C(C=C1)C(O)C(C)OC(=O)C2=CC=C(OC)C=C2","spectrum_id":"CCMSLIB00005721540","spectrum_index":6230},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385521-01![1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate [IIN-based: Match]","exact_mass":316.131,"inchikey":"MHJLKHNHGMUAPQ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.1274,"smiles":"COC1=CC=C(C=C1)C(O)C(C)OC(=O)C2=CC=C(OC)C=C2","spectrum_id":"CCMSLIB00005721541","spectrum_index":6231},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169705-02!(2R)-8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":542.12,"inchikey":"MXEIKUWMKSYEII-XRHWURSXSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.1291,"smiles":"OC1=CC=C(C=C1)[C@H]2CC(=O)C3=C(O2)C([C@H]4[C@@H](OC5=C(C4=O)C(O)=CC(O)=C5)C6=CC=C(O)C=C6)=C(O)C=C3O","spectrum_id":"CCMSLIB00005721542","spectrum_index":6232},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347585-02!(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate [IIN-based: Match]","exact_mass":382.238,"inchikey":"GFMGOVRWOOAPMN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.2715,"smiles":"CCCCCC(=O)OC1C=C2COC(O)C2(O)C3(C)C(O)CCC(C)(C)C13","spectrum_id":"CCMSLIB00005721543","spectrum_index":6233},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380766-01!1,5,8-trihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one [IIN-based on: CCMSLIB00000847255]","exact_mass":422.086,"inchikey":"IOJCAEBIAPRCCI-FJMCMGCSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":867.1586,"smiles":"OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)C4=C(O)C=CC(O)=C4O3)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721544","spectrum_index":6234},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380766-01!1,5,8-trihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one [IIN-based: Match]","exact_mass":422.086,"inchikey":"IOJCAEBIAPRCCI-FJMCMGCSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.0922,"smiles":"OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)C4=C(O)C=CC(O)=C4O3)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721545","spectrum_index":6235},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384554-01![(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [IIN-based: Match]","exact_mass":756.248,"inchikey":"XPLMUADTACCMDJ-LVDCRSFESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.2595,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC=C(O)C(O)=C3)O[C@H](CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H]2OC(=O)\\\\C=C\\\\C5=CC=C(O)C(O)=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721546","spectrum_index":6236},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380193-01!16-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)-3-(3-hydroxyoctanoyloxy)oxan-2-yl]oxy-6-(acetyloxymethyl)-3,4-dihydroxyoxan-2-yl]oxy-3,15-dihydroxyhexadecanoic acid [IIN-based: Match]","exact_mass":854.45,"inchikey":"AERAMEUFSDVACO-BNDUWSGGSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":872.4823,"smiles":"CCCCCC(O)CC(=O)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCC(O)CCCCCCCCCCCC(O)CC(O)=O)O[C@@H]2COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)=O","spectrum_id":"CCMSLIB00005721547","spectrum_index":6237},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385342-01!3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-7-hydroxychromen-4-one [IIN-based on: CCMSLIB00000846120]","exact_mass":390.182,"inchikey":"ZBHUUXLHDOUMKM-REZTVBANSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":781.3735,"smiles":"CC(C)=CCC\\\\C(C)=C\\\\CC1=CC(=CC=C1O)C2=COC3=CC(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00005721548","spectrum_index":6238},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385342-01!3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-7-hydroxychromen-4-one [IIN-based: Match]","exact_mass":390.182,"inchikey":"ZBHUUXLHDOUMKM-REZTVBANSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.1897,"smiles":"CC(C)=CCC\\\\C(C)=C\\\\CC1=CC(=CC=C1O)C2=COC3=CC(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00005721549","spectrum_index":6239},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385342-01!3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-7-hydroxychromen-4-one [IIN-based on: CCMSLIB00000846120]","exact_mass":390.182,"inchikey":"ZBHUUXLHDOUMKM-REZTVBANSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":803.3535,"smiles":"CC(C)=CCC\\\\C(C)=C\\\\CC1=CC(=CC=C1O)C2=COC3=CC(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00005721550","spectrum_index":6240},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381104-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based: Match]","exact_mass":386.136,"inchikey":"VJVXQSFKTVUEFY-XGICHPGQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.1699,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00005721551","spectrum_index":6241},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385530-02!(E)-5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid [IIN-based on: CCMSLIB00000847551]","exact_mass":318.219,"inchikey":"SLMFLTPPPXRYHP-JLHYYAGUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.2086,"smiles":"CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005721552","spectrum_index":6242},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385530-02!(E)-5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid [IIN-based: Match]","exact_mass":318.219,"inchikey":"SLMFLTPPPXRYHP-JLHYYAGUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.2165,"smiles":"CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005721553","spectrum_index":6243},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169462-02!17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one [IIN-based on: CCMSLIB00000847134]","exact_mass":682.395,"inchikey":"MSHWJYPCLRLDEB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":665.394,"smiles":"CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C","spectrum_id":"CCMSLIB00005721554","spectrum_index":6244},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169462-02!17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one [IIN-based: Match]","exact_mass":682.395,"inchikey":"MSHWJYPCLRLDEB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":683.4021,"smiles":"CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C","spectrum_id":"CCMSLIB00005721555","spectrum_index":6245},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000846390]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1115.7402,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005721556","spectrum_index":6246},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based: Match]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.3637,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005721557","spectrum_index":6247},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385073-01!5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one [IIN-based: Match]","exact_mass":592.181,"inchikey":"WWSNSDWQADMAJB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":615.1731,"smiles":"COC1=CC=C(C=C1)C2=COC3=CC(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)=CC(O)=C3C2=O","spectrum_id":"CCMSLIB00005721558","spectrum_index":6248},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385459-01!(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid [IIN-based on: CCMSLIB00000848156]","exact_mass":478.074,"inchikey":"UFDJVOQZZQZYJG-IIDMSEBBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":974.183,"smiles":"O[C@@H]1C=C(C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]1OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=O","spectrum_id":"CCMSLIB00005721559","spectrum_index":6249},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385459-01!(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid [IIN-based: Match]","exact_mass":478.074,"inchikey":"UFDJVOQZZQZYJG-IIDMSEBBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":496.1075,"smiles":"O[C@@H]1C=C(C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]1OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=O","spectrum_id":"CCMSLIB00005721560","spectrum_index":6250},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380208-01!bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 3-hydroxy-3-methylpentanedioate [IIN-based: Match]","exact_mass":698.244,"inchikey":"HIVUDBSYRZRZSH-DYDXLFEJSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":699.2505,"smiles":"CC(O)(CC(=O)OCC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1)CC(=O)OCC3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3","spectrum_id":"CCMSLIB00005721561","spectrum_index":6251},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347555-02!2-(21-amino-3,20-dihydroxydocosan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":535.408,"inchikey":"FZSYYVOKNJZJTF-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":558.3967,"smiles":"CC(N)C(O)CCCCCCCCCCCCCCCCC(O)C(C)OC1OC(CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005721562","spectrum_index":6252},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384562-01!(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide [IIN-based on: CCMSLIB00000848721]","exact_mass":251.226,"inchikey":"BBRMJCAPNGJKEM-AQASXUMVSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":525.4417,"smiles":"CCCCCCC\\\\C=C\\\\C=C\\\\C(=O)NCC(C)C","spectrum_id":"CCMSLIB00005721563","spectrum_index":6253},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384562-01!(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide [IIN-based: Match]","exact_mass":251.226,"inchikey":"BBRMJCAPNGJKEM-AQASXUMVSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":252.2329,"smiles":"CCCCCCC\\\\C=C\\\\C=C\\\\C(=O)NCC(C)C","spectrum_id":"CCMSLIB00005721564","spectrum_index":6254},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384670-01!2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one [IIN-based: Match]","exact_mass":250.085,"inchikey":"AWCDBKHWVKLXEE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":268.1186,"smiles":"OC(C(O)C1=CC=CC=C1)C2OC(=O)C=CC2O","spectrum_id":"CCMSLIB00005721565","spectrum_index":6255},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180833-02!2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one [IIN-based on: CCMSLIB00000846302]","exact_mass":258.126,"inchikey":"WAPMVTHIMHEOAB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":539.2418,"smiles":"COC1=C(C(=O)C2=C(O1)C=CC=C2C)C(C)(C)C=C","spectrum_id":"CCMSLIB00005721566","spectrum_index":6256},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180833-02!2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one [IIN-based: Match]","exact_mass":258.126,"inchikey":"WAPMVTHIMHEOAB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.1336,"smiles":"COC1=C(C(=O)C2=C(O1)C=CC=C2C)C(C)(C)C=C","spectrum_id":"CCMSLIB00005721567","spectrum_index":6257},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180833-02!2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one [IIN-based on: CCMSLIB00000846302]","exact_mass":258.126,"inchikey":"WAPMVTHIMHEOAB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.1151,"smiles":"COC1=C(C(=O)C2=C(O1)C=CC=C2C)C(C)(C)C=C","spectrum_id":"CCMSLIB00005721568","spectrum_index":6258},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095695-03!3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000846301]","exact_mass":258.09,"inchikey":"YQBNJPACAUPNLV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.1871,"smiles":"COC1=C(OC2=C1C=C3C=CC(=O)OC3=C2)C(C)C","spectrum_id":"CCMSLIB00005721569","spectrum_index":6259},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095695-03!3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":258.09,"inchikey":"YQBNJPACAUPNLV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.1239,"smiles":"COC1=C(OC2=C1C=C3C=CC(=O)OC3=C2)C(C)C","spectrum_id":"CCMSLIB00005721570","spectrum_index":6260},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385635-01!(E)-3-[3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]phenyl]prop-2-en-1-ol [IIN-based: Match]","exact_mass":388.19,"inchikey":"CZVGIALASULOAU-VOTSOKGWSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.1959,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(\\\\C=C\\\\CO)C=C2)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00005721571","spectrum_index":6261},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179715-03!methyl 2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate [IIN-based: Match]","exact_mass":440.15,"inchikey":"FWHAYHIGJSFGKO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":458.1841,"smiles":"COC(=O)C3(CC1=CC(CC2OC2(C)C)=C(O)C=C1)OC(=O)C(O)=C3C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00005721572","spectrum_index":6262},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179715-03!methyl 2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846943]","exact_mass":440.15,"inchikey":"FWHAYHIGJSFGKO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.1578,"smiles":"COC(=O)C3(CC1=CC(CC2OC2(C)C)=C(O)C=C1)OC(=O)C(O)=C3C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00005721573","spectrum_index":6263},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347717-02! [IIN-based: Match]","exact_mass":1078.58,"inchikey":"DFQUSLQYURJBIT-MFKXNLKNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1101.5648,"smiles":"CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C4=CC=C(O)C=C4)[C@H](O)CC(N)=O","spectrum_id":"CCMSLIB00005721574","spectrum_index":6264},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169669-03!3-[(2,6-dihydroxy-3,4-dimethylphenyl)methyl]-2,4-dihydroxy-6-methylbenzaldehyde [IIN-based: Match]","exact_mass":302.116,"inchikey":"CTJPDNXMUMTMJX-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.1229,"smiles":"CC1=C(C)C(O)=C(CC2=C(O)C(C=O)=C(C)C=C2O)C(O)=C1","spectrum_id":"CCMSLIB00005721575","spectrum_index":6265},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385223-01!(2R,3S)-7-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5-diol [IIN-based: Match]","exact_mass":422.121,"inchikey":"OZEIRJMOKXRLCR-AXDKOMKPSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.1282,"smiles":"OC[C@@]1(O)CO[C@@H](OC2=CC(O)=C3C[C@H](O)[C@H](OC3=C2)C4=CC(O)=C(O)C=C4)[C@@H]1O","spectrum_id":"CCMSLIB00005721576","spectrum_index":6266},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385003-01!4-[3-methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid [IIN-based: Match]","exact_mass":442.293,"inchikey":"DQOOFQPFNNGTHL-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":460.3275,"smiles":"CC(CCOC(=O)CCC(O)=O)CCC1(C)C(C)CCC2(C)C1CC(O)C(O)C2(C)O","spectrum_id":"CCMSLIB00005721577","spectrum_index":6267},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385669-01!(E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid [IIN-based: Match]","exact_mass":392.221,"inchikey":"XMWOVKVFIVCVPN-XNTDXEJSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.2167,"smiles":"CC(=O)OC\\\\C(CCC1C(C=O)=CC(O)C2C(C)(C)CCCC12C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005721578","spectrum_index":6268},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169946-02!2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]","exact_mass":230.116,"inchikey":"YLHOHANRUSKHKO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":248.1493,"smiles":"CCCC(O)C(O)C1CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005721579","spectrum_index":6269},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169946-02!2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000845022]","exact_mass":230.116,"inchikey":"YLHOHANRUSKHKO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":483.219,"smiles":"CCCC(O)C(O)C1CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005721580","spectrum_index":6270},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385656-01!9-(1H-indol-3-ylmethyl)-6,12-dimethyl-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone [IIN-based: Match]","exact_mass":484.244,"inchikey":"NYPFHMYOQFDZQG-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":502.2781,"smiles":"CC(C)C1NC(=O)C(C)NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C(C)NC(=O)CNC1=O","spectrum_id":"CCMSLIB00005721581","spectrum_index":6271},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385656-01!9-(1H-indol-3-ylmethyl)-6,12-dimethyl-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone [IIN-based on: CCMSLIB00000845034]","exact_mass":484.244,"inchikey":"NYPFHMYOQFDZQG-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":986.5177,"smiles":"CC(C)C1NC(=O)C(C)NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C(C)NC(=O)CNC1=O","spectrum_id":"CCMSLIB00005721582","spectrum_index":6272},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169946-02!2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]","exact_mass":230.116,"inchikey":"YLHOHANRUSKHKO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":248.1494,"smiles":"CCCC(O)C(O)C1CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005721583","spectrum_index":6273},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169946-02!2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000845022]","exact_mass":230.116,"inchikey":"YLHOHANRUSKHKO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.2389,"smiles":"CCCC(O)C(O)C1CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005721584","spectrum_index":6274},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168840-03!5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid [IIN-based: Match]","exact_mass":320.234,"inchikey":"RNWHJFUXZQBBLK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":338.2671,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O","spectrum_id":"CCMSLIB00005721585","spectrum_index":6275},{"adduct":"[3M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168840-03!5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid [IIN-based on: CCMSLIB00000848447]","exact_mass":320.234,"inchikey":"RNWHJFUXZQBBLK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":983.6927,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O","spectrum_id":"CCMSLIB00005721586","spectrum_index":6276},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168840-03!5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid [IIN-based on: CCMSLIB00000848447]","exact_mass":320.234,"inchikey":"RNWHJFUXZQBBLK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":663.4569,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O","spectrum_id":"CCMSLIB00005721587","spectrum_index":6277},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169000-02![(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [IIN-based: Match]","exact_mass":756.246,"inchikey":"JMBINOWGIHWPJI-UNSOMVRXSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.2542,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC(O)=C(O)C=C3)O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]2OC(=O)\\\\C=C\\\\C5=CC(O)=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721588","spectrum_index":6278},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385623-01!4,6-dihydroxy-3-(6-hydroxy-1-oxo-3-pentylisochromen-8-yl)oxy-2-pentylbenzoic acid [IIN-based: Match]","exact_mass":470.194,"inchikey":"BRRNOCJIAXDCCX-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.2023,"smiles":"CCCCCC1=CC2=C(C(=O)O1)C(OC3=C(CCCCC)C(C(O)=O)=C(O)C=C3O)=CC(O)=C2","spectrum_id":"CCMSLIB00005721589","spectrum_index":6279},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347554-03!(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate [IIN-based on: CCMSLIB00000845530]","exact_mass":384.123,"inchikey":"AWCUZBLYCWUTRL-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":786.278,"smiles":"OC1C=CC(OC(=O)C2=CC=CC=C2)C(O)C1(O)COC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005721590","spectrum_index":6280},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347554-03!(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate [IIN-based: Match]","exact_mass":384.123,"inchikey":"AWCUZBLYCWUTRL-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.1568,"smiles":"OC1C=CC(OC(=O)C2=CC=CC=C2)C(O)C1(O)COC(=O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005721591","spectrum_index":6281},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385024-01!2,3,4-trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate [IIN-based: Match]","exact_mass":272.091,"inchikey":"YTCVPMVUPQABQB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.0982,"smiles":"CC1=C(C(=O)OCC(O)C(O)CO)C(O)=CC(O)=C1","spectrum_id":"CCMSLIB00005721592","spectrum_index":6282},{"adduct":"[3M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00385024-01!2,3,4-trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate [IIN-based on: CCMSLIB00000845523]","exact_mass":272.091,"inchikey":"YTCVPMVUPQABQB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":428.1175,"smiles":"CC1=C(C(=O)OCC(O)C(O)CO)C(O)=CC(O)=C1","spectrum_id":"CCMSLIB00005721593","spectrum_index":6283},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385380-01!3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one [IIN-based: Match]","exact_mass":626.148,"inchikey":"UTECWQIXBMWRRR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":649.1384,"smiles":"OCC1OC(OC2C(CO)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC(O)=C(O)C=C5)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005721594","spectrum_index":6284},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00385380-01!3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one [IIN-based on: CCMSLIB00000845247]","exact_mass":626.148,"inchikey":"UTECWQIXBMWRRR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":646.1303,"smiles":"OCC1OC(OC2C(CO)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC(O)=C(O)C=C5)C(O)C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005721595","spectrum_index":6285},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00161931-02!4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000845720]","exact_mass":400.118,"inchikey":"JGGWNGRBXJWAOC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.1518,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)CC4=C2C=C5OCOC5=C4O","spectrum_id":"CCMSLIB00005721596","spectrum_index":6286},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00161931-02!4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based: Match]","exact_mass":400.118,"inchikey":"JGGWNGRBXJWAOC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.1245,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)CC4=C2C=C5OCOC5=C4O","spectrum_id":"CCMSLIB00005721597","spectrum_index":6287},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095987-05!6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone [IIN-based: Match]","exact_mass":1110.63,"inchikey":"FCFNRCROJUBPLU-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1128.6666,"smiles":"CC(C)C1NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C","spectrum_id":"CCMSLIB00005721598","spectrum_index":6288},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385427-01!17-[2,3-dihydroxy-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based: Match]","exact_mass":642.362,"inchikey":"VJAXSGXKVCCJNY-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":660.3961,"smiles":"CC(C)(CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)OC5OC(CO)C(O)C(O)C5O","spectrum_id":"CCMSLIB00005721599","spectrum_index":6289},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180770-02!3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one [IIN-based: Match]","exact_mass":594.16,"inchikey":"YFPYXTNSQOUHPS-NIILUQFKSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.1682,"smiles":"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC3=C(OC4=C(C3=O)C(O)=CC(O)=C4)C5=CC=C(O)C=C5)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721600","spectrum_index":6290},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169031-03![6-(2-formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate [IIN-based: Match]","exact_mass":436.208,"inchikey":"DORNRAAPIXGDPH-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":454.2425,"smiles":"CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C","spectrum_id":"CCMSLIB00005721601","spectrum_index":6291},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169733-03!(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid [IIN-based: Match]","exact_mass":550.172,"inchikey":"JGHUOJAZXGSFRI-HOWDAYCMSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.1792,"smiles":"COC(=O)C[C@H]1\\\\C(=C\\\\COC(=O)\\\\C=C\\\\C2=CC=CC=C2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(O)=O","spectrum_id":"CCMSLIB00005721602","spectrum_index":6292},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169733-03!(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid [IIN-based on: CCMSLIB00000845474]","exact_mass":550.172,"inchikey":"JGHUOJAZXGSFRI-HOWDAYCMSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":568.2055,"smiles":"COC(=O)C[C@H]1\\\\C(=C\\\\COC(=O)\\\\C=C\\\\C2=CC=CC=C2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(O)=O","spectrum_id":"CCMSLIB00005721603","spectrum_index":6293},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347745-02! [IIN-based: Match]","exact_mass":552.202,"inchikey":"XQJFWXFZEDKVQR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":570.2357,"smiles":"CC1OC=C2C(=O)C3(OC3C(=O)C24C5OC(C)C(C14)C6=C5C(=O)C7(OC7C6=O)C(O)C=C(C)C)C(O)C=C(C)C","spectrum_id":"CCMSLIB00005721604","spectrum_index":6294},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381071-01!1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone [IIN-based on: CCMSLIB00000848996]","exact_mass":584.355,"inchikey":"ABHHIGWFFMCQOC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":312.1591,"smiles":"ON1CCCCCNC(=O)CCC(=O)NCCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00005721605","spectrum_index":6295},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381071-01!1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone [IIN-based on: CCMSLIB00000848996]","exact_mass":584.355,"inchikey":"ABHHIGWFFMCQOC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":607.3436,"smiles":"ON1CCCCCNC(=O)CCC(=O)NCCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00005721606","spectrum_index":6296},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381071-01!1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone [IIN-based: Match]","exact_mass":584.355,"inchikey":"ABHHIGWFFMCQOC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":585.3612,"smiles":"ON1CCCCCNC(=O)CCC(=O)NCCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00005721607","spectrum_index":6297},{"adduct":"[M+2H]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381071-01!1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone [IIN-based on: CCMSLIB00000848996]","exact_mass":584.355,"inchikey":"ABHHIGWFFMCQOC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.1847,"smiles":"ON1CCCCCNC(=O)CCC(=O)NCCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00005721608","spectrum_index":6298},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381149-01!methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based on: CCMSLIB00000848992]","exact_mass":362.102,"inchikey":"QVUUGDKCVIHHKR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":747.1939,"smiles":"COC(=O)C1=C(OC2=CC(C)=CC(O)=C2C(=O)OC)C(O)=CC(OC)=C1","spectrum_id":"CCMSLIB00005721609","spectrum_index":6299},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381149-01!methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based on: CCMSLIB00000848992]","exact_mass":362.102,"inchikey":"QVUUGDKCVIHHKR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.0913,"smiles":"COC(=O)C1=C(OC2=CC(C)=CC(O)=C2C(=O)OC)C(O)=CC(OC)=C1","spectrum_id":"CCMSLIB00005721610","spectrum_index":6300},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381149-01!methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based: Match]","exact_mass":362.102,"inchikey":"QVUUGDKCVIHHKR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.1097,"smiles":"COC(=O)C1=C(OC2=CC(C)=CC(O)=C2C(=O)OC)C(O)=CC(OC)=C1","spectrum_id":"CCMSLIB00005721611","spectrum_index":6301},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180681-02!(1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid [IIN-based: Match]","exact_mass":516.126,"inchikey":"UFCLZKMFXSILNL-RVXRWRFUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":534.1604,"smiles":"O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\\\\C=C\\\\C2=CC(O)=C(O)C=C2)[C@H]1OC(=O)\\\\C=C\\\\C3=CC(O)=C(O)C=C3)C(O)=O","spectrum_id":"CCMSLIB00005721612","spectrum_index":6302},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180747-02!5-[(1S,2R,4aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid [IIN-based on: CCMSLIB00000848900]","exact_mass":320.235,"inchikey":"RNWHJFUXZQBBLK-VWJHISDNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.2257,"smiles":"CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O","spectrum_id":"CCMSLIB00005721613","spectrum_index":6303},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180747-02!5-[(1S,2R,4aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid [IIN-based: Match]","exact_mass":320.235,"inchikey":"RNWHJFUXZQBBLK-VWJHISDNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.2433,"smiles":"CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O","spectrum_id":"CCMSLIB00005721614","spectrum_index":6304},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180747-02!5-[(1S,2R,4aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid [IIN-based on: CCMSLIB00000848900]","exact_mass":320.235,"inchikey":"RNWHJFUXZQBBLK-VWJHISDNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":658.5048,"smiles":"CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O","spectrum_id":"CCMSLIB00005721615","spectrum_index":6305},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180747-02!5-[(1S,2R,4aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid [IIN-based on: CCMSLIB00000848900]","exact_mass":320.235,"inchikey":"RNWHJFUXZQBBLK-VWJHISDNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":663.4599,"smiles":"CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O","spectrum_id":"CCMSLIB00005721616","spectrum_index":6306},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169555-02!2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one [IIN-based: Match]","exact_mass":478.111,"inchikey":"NAQNISJXKDSYJD-DHWIRCOFSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.1188,"smiles":"COC1=C(O)C=C(C=C1O)C2=C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C(=O)C4=C(O2)C=C(O)C=C4O","spectrum_id":"CCMSLIB00005721617","spectrum_index":6307},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384929-01!(2S,3S)-3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000845144]","exact_mass":466.111,"inchikey":"CZOXIGOPZRIBJM-TZWBTVLISA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":950.2558,"smiles":"OC[C@H]1O[C@@H](OC2=C(O)C=CC(=C2)[C@@H]3OC4=CC(O)=CC(O)=C4C(=O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721618","spectrum_index":6308},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384929-01!(2S,3S)-3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000845144]","exact_mass":466.111,"inchikey":"CZOXIGOPZRIBJM-TZWBTVLISA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.1082,"smiles":"OC[C@H]1O[C@@H](OC2=C(O)C=CC(=C2)[C@@H]3OC4=CC(O)=CC(O)=C4C(=O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721619","spectrum_index":6309},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384929-01!(2S,3S)-3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":466.111,"inchikey":"CZOXIGOPZRIBJM-TZWBTVLISA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":484.1455,"smiles":"OC[C@H]1O[C@@H](OC2=C(O)C=CC(=C2)[C@@H]3OC4=CC(O)=CC(O)=C4C(=O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721620","spectrum_index":6310},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347776-02!3-chloro-6-hydroxy-2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid [IIN-based: Match]","exact_mass":382.046,"inchikey":"BIIZWIKNPOIDLS-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.0521,"smiles":"COC(=O)C1=CC(O)=CC(OC)=C1OC2=C(Cl)C(C)=CC(O)=C2C(O)=O","spectrum_id":"CCMSLIB00005721621","spectrum_index":6311},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384957-01!8-[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one [IIN-based: Match]","exact_mass":564.149,"inchikey":"RUULGHDZDIUGRT-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.1565,"smiles":"OCC1OC(C(O)C(OC2OCC(O)C(O)C2O)C1O)C3=C4OC=C(C(=O)C4=C(O)C=C3O)C5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00005721622","spectrum_index":6312},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180155-02!3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one [IIN-based on: CCMSLIB00000845136]","exact_mass":420.144,"inchikey":"BIZAJDCIOZNYLQ-XDWAVFMPSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":858.3228,"smiles":"OC[C@H]1O[C@@H](OC2=CC(O)=C(C=C2)C(=O)CCC3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721623","spectrum_index":6313},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180155-02!3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one [IIN-based: Match]","exact_mass":420.144,"inchikey":"BIZAJDCIOZNYLQ-XDWAVFMPSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":438.1769,"smiles":"OC[C@H]1O[C@@H](OC2=CC(O)=C(C=C2)C(=O)CCC3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721624","spectrum_index":6314},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate [IIN-based on: CCMSLIB00000846980]","exact_mass":553.326,"inchikey":"BJMXBTRNBWZGEQ-FKYXSWMHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1107.6556,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)\\\\C=C(\\\\C)C(O)C(C)C(=O)CCCC(CC(N)=O)CC(=O)OC","spectrum_id":"CCMSLIB00005721625","spectrum_index":6315},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate [IIN-based on: CCMSLIB00000846980]","exact_mass":553.326,"inchikey":"BJMXBTRNBWZGEQ-FKYXSWMHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1129.6365,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)\\\\C=C(\\\\C)C(O)C(C)C(=O)CCCC(CC(N)=O)CC(=O)OC","spectrum_id":"CCMSLIB00005721626","spectrum_index":6316},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate [IIN-based: Match]","exact_mass":553.326,"inchikey":"BJMXBTRNBWZGEQ-FKYXSWMHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":554.3339,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)\\\\C=C(\\\\C)C(O)C(C)C(=O)CCCC(CC(N)=O)CC(=O)OC","spectrum_id":"CCMSLIB00005721627","spectrum_index":6317},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate [IIN-based on: CCMSLIB00000846980]","exact_mass":553.326,"inchikey":"BJMXBTRNBWZGEQ-FKYXSWMHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":576.3162,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)\\\\C=C(\\\\C)C(O)C(C)C(=O)CCCC(CC(N)=O)CC(=O)OC","spectrum_id":"CCMSLIB00005721628","spectrum_index":6318},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386067-01!2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid [IIN-based on: CCMSLIB00000846988]","exact_mass":587.371,"inchikey":"CYKDMNNWBMLNSF-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1175.7393,"smiles":"CCCCC(C)C(=O)C(CC(C)CCCCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005721629","spectrum_index":6319},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386067-01!2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid [IIN-based: Match]","exact_mass":587.371,"inchikey":"CYKDMNNWBMLNSF-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":588.3774,"smiles":"CCCCC(C)C(=O)C(CC(C)CCCCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005721630","spectrum_index":6320},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385068-01!methyl 4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate [IIN-based on: CCMSLIB00000848774]","exact_mass":476.155,"inchikey":"DZRVGBRAMLSZDQ-HSMQXHTESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":970.3369,"smiles":"COC(=O)C1=CC=C(OC)C=C1O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00005721631","spectrum_index":6321},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385068-01!methyl 4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate [IIN-based: Match]","exact_mass":476.155,"inchikey":"DZRVGBRAMLSZDQ-HSMQXHTESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":494.1902,"smiles":"COC(=O)C1=CC=C(OC)C=C1O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00005721632","spectrum_index":6322},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00186665-03!2,3-dihydroxypropyl hexadecanoate [IIN-based on: CCMSLIB00000849057]","exact_mass":330.276,"inchikey":"QHZLMUACJMDIAE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.2834,"smiles":"CCCCCCCCCCCCCCCC(=O)OCC(O)CO","spectrum_id":"CCMSLIB00005721633","spectrum_index":6323},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00186665-03!2,3-dihydroxypropyl hexadecanoate [IIN-based on: CCMSLIB00000849057]","exact_mass":330.276,"inchikey":"QHZLMUACJMDIAE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.2729,"smiles":"CCCCCCCCCCCCCCCC(=O)OCC(O)CO","spectrum_id":"CCMSLIB00005721634","spectrum_index":6324},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00186665-03!2,3-dihydroxypropyl hexadecanoate [IIN-based: Match]","exact_mass":330.276,"inchikey":"QHZLMUACJMDIAE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":348.31,"smiles":"CCCCCCCCCCCCCCCC(=O)OCC(O)CO","spectrum_id":"CCMSLIB00005721635","spectrum_index":6325},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169651-02!(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one [IIN-based: Match]","exact_mass":304.203,"inchikey":"LGZSMXJRMTYABD-MDZDMXLPSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":322.2365,"smiles":"CCCCCCC\\\\C=C\\\\C(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00005721636","spectrum_index":6326},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169651-02!(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one [IIN-based on: CCMSLIB00000849054]","exact_mass":304.203,"inchikey":"LGZSMXJRMTYABD-MDZDMXLPSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":631.3974,"smiles":"CCCCCCC\\\\C=C\\\\C(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00005721637","spectrum_index":6327},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385007-01!methyl 4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxybenzoate [IIN-based on: CCMSLIB00000849059]","exact_mass":378.131,"inchikey":"OMXHMQVMAFLCRB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":774.2947,"smiles":"COC(=O)C1=CC(OC)=C(OC(CO)C(O)C2=CC=C(O)C(OC)=C2)C=C1","spectrum_id":"CCMSLIB00005721638","spectrum_index":6328},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385007-01!methyl 4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxybenzoate [IIN-based on: CCMSLIB00000849059]","exact_mass":378.131,"inchikey":"OMXHMQVMAFLCRB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.1268,"smiles":"COC(=O)C1=CC(OC)=C(OC(CO)C(O)C2=CC=C(O)C(OC)=C2)C=C1","spectrum_id":"CCMSLIB00005721639","spectrum_index":6329},{"adduct":"[2M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385007-01!methyl 4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxybenzoate [IIN-based on: CCMSLIB00000849059]","exact_mass":378.131,"inchikey":"OMXHMQVMAFLCRB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":721.247,"smiles":"COC(=O)C1=CC(OC)=C(OC(CO)C(O)C2=CC=C(O)C(OC)=C2)C=C1","spectrum_id":"CCMSLIB00005721640","spectrum_index":6330},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385007-01!methyl 4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxybenzoate [IIN-based: Match]","exact_mass":378.131,"inchikey":"OMXHMQVMAFLCRB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":396.1642,"smiles":"COC(=O)C1=CC(OC)=C(OC(CO)C(O)C2=CC=C(O)C(OC)=C2)C=C1","spectrum_id":"CCMSLIB00005721641","spectrum_index":6331},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385510-01![(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate [IIN-based: Match]","exact_mass":616.109,"inchikey":"PXGWEUQZDRUMRE-UNZYZCBSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":617.1154,"smiles":"OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C=C4)[C@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721642","spectrum_index":6332},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180795-02!(2S,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol [IIN-based: Match]","exact_mass":306.075,"inchikey":"XMOCLSLCDHWDHP-WFASDCNBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.0823,"smiles":"O[C@H]1CC2=C(O[C@H]1C3=CC(O)=C(O)C(O)=C3)C=C(O)C=C2O","spectrum_id":"CCMSLIB00005721643","spectrum_index":6333},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385187-01!(2S,3S,9R,13R,14S,16R)-2,16-dihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one [IIN-based: Match]","exact_mass":664.384,"inchikey":"KISJFUMXCJBLJV-ZZDFEWANSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":682.417,"smiles":"CC(=C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00005721644","spectrum_index":6334},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384947-01!2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid [IIN-based: Match]","exact_mass":348.086,"inchikey":"SOXXAFVUSIMAGB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.1184,"smiles":"COC(=O)C1=C(OC2=CC(C)=CC(O)=C2C(O)=O)C(O)=CC(OC)=C1","spectrum_id":"CCMSLIB00005721645","spectrum_index":6335},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384947-01!2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid [IIN-based on: CCMSLIB00000847922]","exact_mass":348.086,"inchikey":"SOXXAFVUSIMAGB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.0814,"smiles":"COC(=O)C1=C(OC2=CC(C)=CC(O)=C2C(O)=O)C(O)=CC(OC)=C1","spectrum_id":"CCMSLIB00005721646","spectrum_index":6336},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386096-01!(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid [IIN-based on: CCMSLIB00000848683]","exact_mass":539.313,"inchikey":"RSNBAEGFNZIXPM-VDKFNAMPSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":562.3033,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)C(O)C(\\\\C)=C\\\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00005721647","spectrum_index":6337},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386096-01!(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid [IIN-based on: CCMSLIB00000848683]","exact_mass":539.313,"inchikey":"RSNBAEGFNZIXPM-VDKFNAMPSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1101.611,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)C(O)C(\\\\C)=C\\\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00005721648","spectrum_index":6338},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386096-01!(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid [IIN-based: Match]","exact_mass":539.313,"inchikey":"RSNBAEGFNZIXPM-VDKFNAMPSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.31,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)C(O)C(\\\\C)=C\\\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00005721649","spectrum_index":6339},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386096-01!(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid [IIN-based on: CCMSLIB00000848683]","exact_mass":539.313,"inchikey":"RSNBAEGFNZIXPM-VDKFNAMPSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1079.6287,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)C(O)C(\\\\C)=C\\\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00005721650","spectrum_index":6340},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381224-01!4-[2-[[4-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3,7-dihydroxy-6-methylheptanoic acid [IIN-based on: CCMSLIB00000847991]","exact_mass":659.412,"inchikey":"SNPUUTQIPHTWGL-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":682.4004,"smiles":"CC(C)CC(NC(=O)C(NC(=O)C(NC(C)=O)C(C)C)C(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)CO)C(O)CC(O)=O","spectrum_id":"CCMSLIB00005721651","spectrum_index":6341},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381224-01!4-[2-[[4-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3,7-dihydroxy-6-methylheptanoic acid [IIN-based on: CCMSLIB00000847991]","exact_mass":659.412,"inchikey":"SNPUUTQIPHTWGL-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.6872,"smiles":"CC(C)CC(NC(=O)C(NC(=O)C(NC(C)=O)C(C)C)C(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)CO)C(O)CC(O)=O","spectrum_id":"CCMSLIB00005721652","spectrum_index":6342},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381224-01!4-[2-[[4-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3,7-dihydroxy-6-methylheptanoic acid [IIN-based: Match]","exact_mass":659.412,"inchikey":"SNPUUTQIPHTWGL-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":677.4461,"smiles":"CC(C)CC(NC(=O)C(NC(=O)C(NC(C)=O)C(C)C)C(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)CO)C(O)CC(O)=O","spectrum_id":"CCMSLIB00005721653","spectrum_index":6343},{"adduct":"[3M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180558-02! [IIN-based on: CCMSLIB00000847979]","exact_mass":362.211,"inchikey":"SNDKOELNUHQSEY-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1109.6149,"smiles":"CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)CCC(=O)C4(C)C3C2","spectrum_id":"CCMSLIB00005721654","spectrum_index":6344},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180558-02! [IIN-based: Match]","exact_mass":362.211,"inchikey":"SNDKOELNUHQSEY-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.2004,"smiles":"CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)CCC(=O)C4(C)C3C2","spectrum_id":"CCMSLIB00005721655","spectrum_index":6345},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384931-01!3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one [IIN-based: Match]","exact_mass":918.262,"inchikey":"CBSLALAKOKYDBZ-SFGFBRIDSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":919.2697,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC(O)=C(O)C=C5)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721656","spectrum_index":6346},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384927-01!8-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one [IIN-based: Match]","exact_mass":592.182,"inchikey":"AOXGLIJSZLOQNZ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":615.172,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4OC5OC(C)C(O)C(O)C5O)=C3O2","spectrum_id":"CCMSLIB00005721657","spectrum_index":6347},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381174-01!3-hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based on: CCMSLIB00000848436]","exact_mass":431.287,"inchikey":"LQIHCTVXRQRKEH-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":880.6084,"smiles":"CCC(C)CCC(O)CC(=O)OC(CCCCC(C)C)CC(=O)NC(CO)C(O)=O","spectrum_id":"CCMSLIB00005721658","spectrum_index":6348},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381174-01!3-hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based on: CCMSLIB00000848436]","exact_mass":431.287,"inchikey":"LQIHCTVXRQRKEH-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":454.2781,"smiles":"CCC(C)CCC(O)CC(=O)OC(CCCCC(C)C)CC(=O)NC(CO)C(O)=O","spectrum_id":"CCMSLIB00005721659","spectrum_index":6349},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381174-01!3-hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based: Match]","exact_mass":431.287,"inchikey":"LQIHCTVXRQRKEH-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.3213,"smiles":"CCC(C)CCC(O)CC(=O)OC(CCCCC(C)C)CC(=O)NC(CO)C(O)=O","spectrum_id":"CCMSLIB00005721660","spectrum_index":6350},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381174-01!3-hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based on: CCMSLIB00000848436]","exact_mass":431.287,"inchikey":"LQIHCTVXRQRKEH-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":863.5814,"smiles":"CCC(C)CCC(O)CC(=O)OC(CCCCC(C)C)CC(=O)NC(CO)C(O)=O","spectrum_id":"CCMSLIB00005721661","spectrum_index":6351},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384869-01!4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione [IIN-based: Match]","exact_mass":486.334,"inchikey":"PGQUPZCFLHXEHV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.331,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1=C2C=CC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1=O","spectrum_id":"CCMSLIB00005721662","spectrum_index":6352},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347824-02!6-[(2E,6E)-4,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one [IIN-based on: CCMSLIB00000848593]","exact_mass":420.217,"inchikey":"HYVHGKDHDRBYPY-DCIPZJNNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.2028,"smiles":"COC1=CC(=O)OC(\\\\C(C)=C\\\\C(C)(O)C(O)C(\\\\C)=C\\\\C2(C)OC(C)C3(C)OC23)=C1C","spectrum_id":"CCMSLIB00005721663","spectrum_index":6353},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347824-02!6-[(2E,6E)-4,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one [IIN-based: Match]","exact_mass":420.217,"inchikey":"HYVHGKDHDRBYPY-DCIPZJNNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.2239,"smiles":"COC1=CC(=O)OC(\\\\C(C)=C\\\\C(C)(O)C(O)C(\\\\C)=C\\\\C2(C)OC(C)C3(C)OC23)=C1C","spectrum_id":"CCMSLIB00005721664","spectrum_index":6354},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347824-02!6-[(2E,6E)-4,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one [IIN-based on: CCMSLIB00000848593]","exact_mass":420.217,"inchikey":"HYVHGKDHDRBYPY-DCIPZJNNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":858.4672,"smiles":"COC1=CC(=O)OC(\\\\C(C)=C\\\\C(C)(O)C(O)C(\\\\C)=C\\\\C2(C)OC(C)C3(C)OC23)=C1C","spectrum_id":"CCMSLIB00005721665","spectrum_index":6355},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386069-01!ethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate [IIN-based on: CCMSLIB00000848590]","exact_mass":238.085,"inchikey":"TURXCFUGBPBPRS-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.1601,"smiles":"CCOC(=O)CC1=C(C(C)=O)C(O)=CC(O)=C1","spectrum_id":"CCMSLIB00005721666","spectrum_index":6356},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386069-01!ethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate [IIN-based: Match]","exact_mass":238.085,"inchikey":"TURXCFUGBPBPRS-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.0917,"smiles":"CCOC(=O)CC1=C(C(C)=O)C(O)=CC(O)=C1","spectrum_id":"CCMSLIB00005721667","spectrum_index":6357},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385172-01!7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one [IIN-based on: CCMSLIB00000848780]","exact_mass":258.09,"inchikey":"YTDNHMHONBWCBV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.1245,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C3OC3C(C)=C","spectrum_id":"CCMSLIB00005721668","spectrum_index":6358},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385172-01!7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one [IIN-based: Match]","exact_mass":258.09,"inchikey":"YTDNHMHONBWCBV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.0979,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C3OC3C(C)=C","spectrum_id":"CCMSLIB00005721669","spectrum_index":6359},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385178-01!(2S,3S)-3,5,7-trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":334.07,"inchikey":"NZRLODDQFPZTPM-CVEARBPZSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.0775,"smiles":"CC1=C(O)C=C2O[C@H]([C@H](O)C(=O)C2=C1O)C3=CC(O)=C(O)C(O)=C3","spectrum_id":"CCMSLIB00005721670","spectrum_index":6360},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384974-01!4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol [IIN-based on: CCMSLIB00000847411]","exact_mass":404.185,"inchikey":"CAUANPLJFMVCHO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":422.2183,"smiles":"COC1=CC(=CC(OC)=C1O)C2OC(C(C)C2C)C3=CC(OC)=C(O)C(OC)=C3","spectrum_id":"CCMSLIB00005721671","spectrum_index":6361},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384974-01!4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol [IIN-based: Match]","exact_mass":404.185,"inchikey":"CAUANPLJFMVCHO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.1812,"smiles":"COC1=CC(=CC(OC)=C1O)C2OC(C(C)C2C)C3=CC(OC)=C(O)C(OC)=C3","spectrum_id":"CCMSLIB00005721672","spectrum_index":6362},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384960-01!5,7-dihydroxy-6-[(2S,3R,4R,6R)-4-hydroxy-6-methyl-5-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(4-hydroxyphenyl)chromen-4-one [IIN-based on: CCMSLIB00000847429]","exact_mass":560.155,"inchikey":"LCQVQAZLYBJMGJ-LUSKEGLYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1121.3141,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)C(=O)[C@@H](C)O[C@H]2C3=C(O)C=C4OC(=CC(=O)C4=C3O)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721673","spectrum_index":6363},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384960-01!5,7-dihydroxy-6-[(2S,3R,4R,6R)-4-hydroxy-6-methyl-5-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(4-hydroxyphenyl)chromen-4-one [IIN-based: Match]","exact_mass":560.155,"inchikey":"LCQVQAZLYBJMGJ-LUSKEGLYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.162,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)C(=O)[C@@H](C)O[C@H]2C3=C(O)C=C4OC(=CC(=O)C4=C3O)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721674","spectrum_index":6364},{"adduct":"[2M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384936-01!2-(3,4-dihydroxyphenyl)ethyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-hydroxy-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-3-carboxylate [IIN-based on: CCMSLIB00000847426]","exact_mass":516.164,"inchikey":"AIPGFMVNUMXXEM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":997.3118,"smiles":"OC1OCC2OC=C(C(CC(=O)OCCC3=CC(O)=C(O)C=C3)C12)C(=O)OCCC4=CC=C(O)C(O)=C4","spectrum_id":"CCMSLIB00005721675","spectrum_index":6365},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384936-01!2-(3,4-dihydroxyphenyl)ethyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-hydroxy-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-3-carboxylate [IIN-based: Match]","exact_mass":516.164,"inchikey":"AIPGFMVNUMXXEM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.1612,"smiles":"OC1OCC2OC=C(C(CC(=O)OCCC3=CC(O)=C(O)C=C3)C12)C(=O)OCCC4=CC=C(O)C(O)=C4","spectrum_id":"CCMSLIB00005721676","spectrum_index":6366},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347453-02!(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one [IIN-based on: CCMSLIB00000848120]","exact_mass":296.142,"inchikey":"GIKJADRKBZHVCY-DUXPYHPUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.1487,"smiles":"OC1=CC=C(CC\\\\C=C\\\\C(=O)CCC2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00005721678","spectrum_index":6367},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347453-02!(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one [IIN-based: Match]","exact_mass":296.142,"inchikey":"GIKJADRKBZHVCY-DUXPYHPUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.1753,"smiles":"OC1=CC=C(CC\\\\C=C\\\\C(=O)CCC2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00005721679","spectrum_index":6368},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347453-02!(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one [IIN-based on: CCMSLIB00000848120]","exact_mass":296.142,"inchikey":"GIKJADRKBZHVCY-DUXPYHPUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":610.317,"smiles":"OC1=CC=C(CC\\\\C=C\\\\C(=O)CCC2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00005721680","spectrum_index":6369},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381180-01!3-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-5-hydroxydecanoic acid [IIN-based on: CCMSLIB00000848124]","exact_mass":576.387,"inchikey":"XBEDTLDOFCRJHC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1175.7593,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CC(O)CCCCC)CC(O)=O","spectrum_id":"CCMSLIB00005721681","spectrum_index":6370},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381180-01!3-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-5-hydroxydecanoic acid [IIN-based: Match]","exact_mass":576.387,"inchikey":"XBEDTLDOFCRJHC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.3843,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CC(O)CCCCC)CC(O)=O","spectrum_id":"CCMSLIB00005721682","spectrum_index":6371},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381180-01!3-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-5-hydroxydecanoic acid [IIN-based on: CCMSLIB00000848124]","exact_mass":576.387,"inchikey":"XBEDTLDOFCRJHC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1170.8051,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CC(O)CCCCC)CC(O)=O","spectrum_id":"CCMSLIB00005721683","spectrum_index":6372},{"adduct":"[3M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385398-01!2-hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid [IIN-based on: CCMSLIB00000848116]","exact_mass":206.04,"inchikey":"YUTUUOJFXIMELV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":657.0796,"smiles":"COC(=O)CC(O)(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005721684","spectrum_index":6373},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385398-01!2-hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid [IIN-based: Match]","exact_mass":206.04,"inchikey":"YUTUUOJFXIMELV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":224.0744,"smiles":"COC(=O)CC(O)(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005721685","spectrum_index":6374},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385398-01!2-hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid [IIN-based on: CCMSLIB00000848116]","exact_mass":206.04,"inchikey":"YUTUUOJFXIMELV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.071,"smiles":"COC(=O)CC(O)(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005721686","spectrum_index":6375},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384883-01!(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":470.236,"inchikey":"OCLJUQSRRLIINU-CBMLQZBESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.243,"smiles":"CC(C)CCC(O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00005721687","spectrum_index":6376},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384883-01!(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000845039]","exact_mass":470.236,"inchikey":"OCLJUQSRRLIINU-CBMLQZBESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.2248,"smiles":"CC(C)CCC(O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00005721688","spectrum_index":6377},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384874-01!6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one [IIN-based: Match]","exact_mass":228.099,"inchikey":"IQQUGRMXXJTLNW-KCJUWKMLSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":246.1323,"smiles":"CCC[C@@H](O)[C@H](O)C1=CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005721689","spectrum_index":6378},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384874-01!6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one [IIN-based on: CCMSLIB00000845037]","exact_mass":228.099,"inchikey":"IQQUGRMXXJTLNW-KCJUWKMLSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.2059,"smiles":"CCC[C@@H](O)[C@H](O)C1=CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005721690","spectrum_index":6379},{"adduct":"[4M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00384874-01!6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one [IIN-based on: CCMSLIB00000845037]","exact_mass":228.099,"inchikey":"IQQUGRMXXJTLNW-KCJUWKMLSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":476.1805,"smiles":"CCC[C@@H](O)[C@H](O)C1=CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005721691","spectrum_index":6380},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384882-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid [IIN-based on: CCMSLIB00000845041]","exact_mass":716.136,"inchikey":"KROVXXIIXUFKOO-NGJWAYPNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":734.1708,"smiles":"OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\\\C=C\\\\C2=CC(O)=C3OC(=C(C(=O)O[C@H](CC4=CC(O)=C(O)C=C4)C(O)=O)C3=C2)C5=CC(O)=C(O)C=C5","spectrum_id":"CCMSLIB00005721692","spectrum_index":6381},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384882-01!(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid [IIN-based: Match]","exact_mass":716.136,"inchikey":"KROVXXIIXUFKOO-NGJWAYPNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":717.1449,"smiles":"OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\\\\C=C\\\\C2=CC(O)=C3OC(=C(C(=O)O[C@H](CC4=CC(O)=C(O)C=C4)C(O)=O)C3=C2)C5=CC(O)=C(O)C=C5","spectrum_id":"CCMSLIB00005721693","spectrum_index":6382},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095436-04!6,7,8-trimethoxychromen-2-one [IIN-based: Match]","exact_mass":236.07,"inchikey":"RAYQKHLZHPFYEJ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":254.1044,"smiles":"COC1=CC2=C(OC(=O)C=C2)C(OC)=C1OC","spectrum_id":"CCMSLIB00005721694","spectrum_index":6383},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095436-04!6,7,8-trimethoxychromen-2-one [IIN-based on: CCMSLIB00000845945]","exact_mass":236.07,"inchikey":"RAYQKHLZHPFYEJ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":495.1305,"smiles":"COC1=CC2=C(OC(=O)C=C2)C(OC)=C1OC","spectrum_id":"CCMSLIB00005721695","spectrum_index":6384},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180410-02!3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one [IIN-based: Match]","exact_mass":742.197,"inchikey":"KZJQLAODESHSCC-LCGCZILPSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":743.2069,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C3=O)C(O)=CC(O)=C4)C5=CC(O)=C(O)C=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721696","spectrum_index":6385},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385511-01!3-[(2R,3S)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[2,3-h]chromen-6-yl]hexanoic acid [IIN-based: Match]","exact_mass":388.189,"inchikey":"MXFUJXIOAUPXPT-LAGVYOHYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.1973,"smiles":"CCCC(CC(O)=O)C1=C(O)C2=C(O[C@H](C)[C@H](C)C2=O)C3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00005721697","spectrum_index":6386},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385204-01!5-hydroxy-2-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7,8-dimethoxychromen-4-one [IIN-based: Match]","exact_mass":492.127,"inchikey":"JCUIPEIMZRLNKQ-BSTKLLGTSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.1346,"smiles":"COC1=CC(O)=C2C(=O)C=C(OC2=C1OC)C3=C(O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3","spectrum_id":"CCMSLIB00005721698","spectrum_index":6387},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385204-01!5-hydroxy-2-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7,8-dimethoxychromen-4-one [IIN-based on: CCMSLIB00000846731]","exact_mass":492.127,"inchikey":"JCUIPEIMZRLNKQ-BSTKLLGTSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":515.1157,"smiles":"COC1=CC(O)=C2C(=O)C=C(OC2=C1OC)C3=C(O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3","spectrum_id":"CCMSLIB00005721699","spectrum_index":6388},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385617-01!9-[(Z)-4-hydroxy-3-methylbut-2-enoxy]furo[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":286.086,"inchikey":"SYEZZRGTJNNHEL-WMZJFQQLSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":304.1191,"smiles":"C\\\\C(CO)=C\\\\COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005721700","spectrum_index":6389},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385617-01!9-[(Z)-4-hydroxy-3-methylbut-2-enoxy]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847019]","exact_mass":286.086,"inchikey":"SYEZZRGTJNNHEL-WMZJFQQLSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":573.1789,"smiles":"C\\\\C(CO)=C\\\\COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005721701","spectrum_index":6390},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385617-01!9-[(Z)-4-hydroxy-3-methylbut-2-enoxy]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847019]","exact_mass":286.086,"inchikey":"SYEZZRGTJNNHEL-WMZJFQQLSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":590.2055,"smiles":"C\\\\C(CO)=C\\\\COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005721702","spectrum_index":6391},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384968-01!7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one [IIN-based on: CCMSLIB00000847022]","exact_mass":400.225,"inchikey":"WNANPKYNOALKIV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":801.4577,"smiles":"CC1(O)CCC2C(C)(C)C(O)CCC2(C)C1COC3=CC4=C(C=CC(=O)O4)C=C3","spectrum_id":"CCMSLIB00005721703","spectrum_index":6392},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384968-01!7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one [IIN-based: Match]","exact_mass":400.225,"inchikey":"WNANPKYNOALKIV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.2577,"smiles":"CC1(O)CCC2C(C)(C)C(O)CCC2(C)C1COC3=CC4=C(C=CC(=O)O4)C=C3","spectrum_id":"CCMSLIB00005721704","spectrum_index":6393},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384968-01!7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one [IIN-based on: CCMSLIB00000847022]","exact_mass":400.225,"inchikey":"WNANPKYNOALKIV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.2312,"smiles":"CC1(O)CCC2C(C)(C)C(O)CCC2(C)C1COC3=CC4=C(C=CC(=O)O4)C=C3","spectrum_id":"CCMSLIB00005721705","spectrum_index":6394},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385638-01!2,2'-bis(3,4-dihydroxyphenyl)-3',4,5',6-tetrahydroxyspiro[2H-1-benzofuran-3,9'-3,4-dihydro-2H-furo[2,3-h]chromene]-8'-one [IIN-based: Match]","exact_mass":574.115,"inchikey":"BDMACDVLTOBWFC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":575.1211,"smiles":"OC1CC2=C(O)C=C3OC(=O)C4(C(OC5=C4C(O)=CC(O)=C5)C6=CC=C(O)C(O)=C6)C3=C2OC1C7=CC=C(O)C(O)=C7","spectrum_id":"CCMSLIB00005721706","spectrum_index":6395},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based on: CCMSLIB00000847629]","exact_mass":577.351,"inchikey":"XIYSEKITPHTMJT-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1172.7298,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00005721707","spectrum_index":6396},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match]","exact_mass":577.351,"inchikey":"XIYSEKITPHTMJT-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":578.359,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00005721708","spectrum_index":6397},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169399-03!(2R,6R)-6-[(3R,10S,12S,13R,17R)-3-(2-carboxyacetyl)oxy-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid [IIN-based on: CCMSLIB00000845398]","exact_mass":572.371,"inchikey":"HMOMGSPWDYKCAH-CBLCVTABSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1145.7458,"smiles":"C[C@H](CCC(=C)[C@@H](C)C(O)=O)[C@H]1CCC2(C)C3=C(C[C@H](O)[C@]12C)[C@@]4(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)C4CC3","spectrum_id":"CCMSLIB00005721709","spectrum_index":6398},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169399-03!(2R,6R)-6-[(3R,10S,12S,13R,17R)-3-(2-carboxyacetyl)oxy-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid [IIN-based: Match]","exact_mass":572.371,"inchikey":"HMOMGSPWDYKCAH-CBLCVTABSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":590.406,"smiles":"C[C@H](CCC(=C)[C@@H](C)C(O)=O)[C@H]1CCC2(C)C3=C(C[C@H](O)[C@]12C)[C@@]4(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)C4CC3","spectrum_id":"CCMSLIB00005721710","spectrum_index":6399},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00094874-06!7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]","exact_mass":340.079,"inchikey":"XHCADAYNFIFUHF-TVKJYDDYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.0858,"smiles":"OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721714","spectrum_index":6400},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00094874-06!7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based on: CCMSLIB00000847487]","exact_mass":340.079,"inchikey":"XHCADAYNFIFUHF-TVKJYDDYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":698.1921,"smiles":"OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721715","spectrum_index":6401},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169775-02!4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]","exact_mass":462.116,"inchikey":"JZBHUVGJBWDUSA-RECXWPGBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.1239,"smiles":"COC1=CC2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C1)C(=CC(=O)O2)C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00005721716","spectrum_index":6402},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169775-02!4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]","exact_mass":462.117,"inchikey":"JZBHUVGJBWDUSA-RECXWPGBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.1249,"smiles":"COC1=CC2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C1)C(=CC(=O)O2)C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00005721717","spectrum_index":6403},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169775-02!4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based on: CCMSLIB00000847772]","exact_mass":462.117,"inchikey":"JZBHUVGJBWDUSA-RECXWPGBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":925.2425,"smiles":"COC1=CC2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C1)C(=CC(=O)O2)C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00005721718","spectrum_index":6404},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180873-02!(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol [IIN-based: Match]","exact_mass":372.144,"inchikey":"QJVXKWHHAMZTBY-GCPOEHJPSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":390.1772,"smiles":"COC1=CC(\\\\C=C\\\\CO)=CC(OC)=C1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O","spectrum_id":"CCMSLIB00005721719","spectrum_index":6405},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381195-01!(2E,6E,12E)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid [IIN-based: Match]","exact_mass":525.293,"inchikey":"IZBWUVKNXOGJSA-MNOLRWOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.3279,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(O)=O)C(O)C(C)C(O)C(\\\\C)=C\\\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00005721720","spectrum_index":6406},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381195-01!(2E,6E,12E)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid [IIN-based on: CCMSLIB00000848219]","exact_mass":525.293,"inchikey":"IZBWUVKNXOGJSA-MNOLRWOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":548.2828,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(O)=O)C(O)C(C)C(O)C(\\\\C)=C\\\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00005721721","spectrum_index":6407},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381195-01!(2E,6E,12E)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid [IIN-based on: CCMSLIB00000848219]","exact_mass":525.293,"inchikey":"IZBWUVKNXOGJSA-MNOLRWOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1051.5914,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(O)=O)C(O)C(C)C(O)C(\\\\C)=C\\\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00005721722","spectrum_index":6408},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381195-01!(2E,6E,12E)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid [IIN-based on: CCMSLIB00000848219]","exact_mass":525.293,"inchikey":"IZBWUVKNXOGJSA-MNOLRWOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":526.3015,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(O)=O)C(O)C(C)C(O)C(\\\\C)=C\\\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00005721723","spectrum_index":6409},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180154-02![6-[[1a-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate [IIN-based: Match]","exact_mass":668.232,"inchikey":"RTCISXKUWWQSRF-VMPITWQZSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":686.2663,"smiles":"COC1=CC=C(\\\\C=C\\\\C(=O)OC2C(C)OC(OC3C4OC4(CO)C5C3C=COC5OC6OC(CO)C(O)C(O)C6O)C(O)C2O)C=C1","spectrum_id":"CCMSLIB00005721724","spectrum_index":6410},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381195-01!(2E,6E,12E)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid [IIN-based: Match]","exact_mass":525.294,"inchikey":"IZBWUVKNXOGJSA-MNOLRWOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.3277,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(O)=O)C(O)C(C)C(O)C(\\\\C)=C\\\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00005721725","spectrum_index":6411},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00270979-02![6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate [IIN-based: Match]","exact_mass":442.235,"inchikey":"RIPKCRCUFJSKKD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.2307,"smiles":"CC(=O)OC1CCC2(C)C(COC3=CC=C4C=CC(=O)OC4=C3)C(C)(O)CCC2C1(C)C","spectrum_id":"CCMSLIB00005721726","spectrum_index":6412},{"adduct":"[2M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00270979-02![6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate [IIN-based on: CCMSLIB00000845297]","exact_mass":442.235,"inchikey":"RIPKCRCUFJSKKD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":867.4677,"smiles":"CC(=O)OC1CCC2(C)C(COC3=CC=C4C=CC(=O)OC4=C3)C(C)(O)CCC2C1(C)C","spectrum_id":"CCMSLIB00005721727","spectrum_index":6413},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385232-01!(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid [IIN-based: Match]","exact_mass":528.09,"inchikey":"VOTMSYBBJIFRQZ-SGMWDQPPSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":546.1236,"smiles":"OC(=O)[C@H]1OC(=C[C@@H](OC(=O)\\\\C=C\\\\C2=CC=C(O)C(O)=C2)[C@H]1OC(=O)\\\\C=C\\\\C3=CC=C(O)C(O)=C3)C(O)=O","spectrum_id":"CCMSLIB00005721728","spectrum_index":6414},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168814-02!(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":346.127,"inchikey":"NBLLRWANAFOKON-ZHZXCYKASA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.1347,"smiles":"COC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00005721729","spectrum_index":6415},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095300-04!5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based: Match]","exact_mass":400.118,"inchikey":"YVCVYCSAAZQOJI-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.1235,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)C(O)C4=C2C=C5OCOC5=C4","spectrum_id":"CCMSLIB00005721730","spectrum_index":6416},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095300-04!5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000847323]","exact_mass":400.118,"inchikey":"YVCVYCSAAZQOJI-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.1504,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)C(O)C4=C2C=C5OCOC5=C4","spectrum_id":"CCMSLIB00005721731","spectrum_index":6417},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095300-04!5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000847323]","exact_mass":400.118,"inchikey":"YVCVYCSAAZQOJI-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.1134,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)C(O)C4=C2C=C5OCOC5=C4","spectrum_id":"CCMSLIB00005721732","spectrum_index":6418},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169259-02![1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-yl] acetate [IIN-based: Match]","exact_mass":366.241,"inchikey":"XPDBYTRMUWQPTF-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":384.2747,"smiles":"CC(O)CCCCCCCCCC(CC1=CC(O)=CC(O)=C1)OC(C)=O","spectrum_id":"CCMSLIB00005721733","spectrum_index":6419},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384604-01!4-[(2R,3R)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene [IIN-based: Match]","exact_mass":418.236,"inchikey":"KFLQGJQSLUYUBF-PMACEKPBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":436.2709,"smiles":"COC[C@H](CC1=CC=C(OC)C(OC)=C1)[C@H](COC)CC2=CC=C(OC)C(OC)=C2","spectrum_id":"CCMSLIB00005721734","spectrum_index":6420},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384604-01!4-[(2R,3R)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene [IIN-based on: CCMSLIB00000848940]","exact_mass":418.236,"inchikey":"KFLQGJQSLUYUBF-PMACEKPBSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":854.5057,"smiles":"COC[C@H](CC1=CC=C(OC)C(OC)=C1)[C@H](COC)CC2=CC=C(OC)C(OC)=C2","spectrum_id":"CCMSLIB00005721735","spectrum_index":6421},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384593-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848936]","exact_mass":388.154,"inchikey":"AEXJMQYVIPHZDJ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.1505,"smiles":"CC(C)CC(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00005721736","spectrum_index":6422},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384593-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate [IIN-based: Match]","exact_mass":388.154,"inchikey":"AEXJMQYVIPHZDJ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.1613,"smiles":"CC(C)CC(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00005721737","spectrum_index":6423},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00180613-03!1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone [IIN-based on: CCMSLIB00000848942]","exact_mass":586.337,"inchikey":"SXTGVXKFOVZYIK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.1496,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00005721738","spectrum_index":6424},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00180613-03!1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone [IIN-based on: CCMSLIB00000848942]","exact_mass":586.337,"inchikey":"SXTGVXKFOVZYIK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":606.3195,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00005721739","spectrum_index":6425},{"adduct":"[M+2H]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00180613-03!1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone [IIN-based on: CCMSLIB00000848942]","exact_mass":586.337,"inchikey":"SXTGVXKFOVZYIK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":294.1757,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00005721740","spectrum_index":6426},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180613-03!1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone [IIN-based: Match]","exact_mass":586.337,"inchikey":"SXTGVXKFOVZYIK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.3252,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00005721741","spectrum_index":6427},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384593-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate [IIN-based: Match]","exact_mass":388.155,"inchikey":"AEXJMQYVIPHZDJ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.1883,"smiles":"CC(C)CC(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00005721742","spectrum_index":6428},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385251-01!(2S,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based on: CCMSLIB00000847604]","exact_mass":464.095,"inchikey":"YSORAXGDTRAEMV-CGXGPNJMSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":946.225,"smiles":"O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C4=CC(O)=C(O)C=C4)O[C@@H]([C@H]1O)C(O)=O","spectrum_id":"CCMSLIB00005721743","spectrum_index":6429},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385251-01!(2S,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based: Match]","exact_mass":464.095,"inchikey":"YSORAXGDTRAEMV-CGXGPNJMSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":482.1289,"smiles":"O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C4=CC(O)=C(O)C=C4)O[C@@H]([C@H]1O)C(O)=O","spectrum_id":"CCMSLIB00005721744","spectrum_index":6430},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385251-01!(2S,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based on: CCMSLIB00000847604]","exact_mass":464.095,"inchikey":"YSORAXGDTRAEMV-CGXGPNJMSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":929.1994,"smiles":"O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C4=CC(O)=C(O)C=C4)O[C@@H]([C@H]1O)C(O)=O","spectrum_id":"CCMSLIB00005721745","spectrum_index":6431},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180378-02! [IIN-based: Match]","exact_mass":750.219,"inchikey":"FCANTWZHYAQEKU-NPEBDZLFSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":768.2521,"smiles":"C[C@@H](OC(C)=O)[C@@H]1[C@@]23O[C@@]2([C@H](O)C4=C(C=CC(=C4O)C5=C(O)C6=C(C=C5)C(=O)[C@]78O[C@@]7([C@@H]6O)C(=O)C[C@](C)(O)[C@@H]8[C@@H](C)OC(C)=O)C3=O)C(=O)C[C@]1(C)O","spectrum_id":"CCMSLIB00005721746","spectrum_index":6432},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385236-01!3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxycarbonyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid [IIN-based on: CCMSLIB00000847606]","exact_mass":552.125,"inchikey":"NFOCYHUCMXEHDG-WEVVVXLNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1122.2829,"smiles":"COC(=O)C1C(OC2=C(O)C=CC(\\\\C=C\\\\C(=O)OC(CC3=CC(O)=C(O)C=C3)C(O)=O)=C12)C4=CC=C(O)C(O)=C4","spectrum_id":"CCMSLIB00005721747","spectrum_index":6433},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385236-01!3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxycarbonyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid [IIN-based: Match]","exact_mass":552.125,"inchikey":"NFOCYHUCMXEHDG-WEVVVXLNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.1337,"smiles":"COC(=O)C1C(OC2=C(O)C=CC(\\\\C=C\\\\C(=O)OC(CC3=CC(O)=C(O)C=C3)C(O)=O)=C12)C4=CC=C(O)C(O)=C4","spectrum_id":"CCMSLIB00005721748","spectrum_index":6434},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380355-01!(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione [IIN-based on: CCMSLIB00000848983]","exact_mass":342.132,"inchikey":"MJMMUATWVTYSFD-YDFGWWAZSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":702.2974,"smiles":"CC1CC(=O)OC(C)C(O)\\\\C=C\\\\C(=O)OC(C)C(O)\\\\C=C\\\\C(=O)O1","spectrum_id":"CCMSLIB00005721749","spectrum_index":6435},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380355-01!(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione [IIN-based: Match]","exact_mass":342.132,"inchikey":"MJMMUATWVTYSFD-YDFGWWAZSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.1392,"smiles":"CC1CC(=O)OC(C)C(O)\\\\C=C\\\\C(=O)OC(C)C(O)\\\\C=C\\\\C(=O)O1","spectrum_id":"CCMSLIB00005721750","spectrum_index":6436},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179796-02!5-[(E)-3-hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol [IIN-based: Match]","exact_mass":228.136,"inchikey":"KLZSJMCXTDLPSF-SNAWJCMRSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":246.1699,"smiles":"CC(C)(O)\\\\C=C\\\\C1=CC(O)C(C)(O)CC1O","spectrum_id":"CCMSLIB00005721751","spectrum_index":6437},{"adduct":"[3M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00179796-02!5-[(E)-3-hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol [IIN-based on: CCMSLIB00000848981]","exact_mass":228.136,"inchikey":"KLZSJMCXTDLPSF-SNAWJCMRSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.1861,"smiles":"CC(C)(O)\\\\C=C\\\\C1=CC(O)C(C)(O)CC1O","spectrum_id":"CCMSLIB00005721752","spectrum_index":6438},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168939-02!8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based: Match]","exact_mass":248.104,"inchikey":"KEYNBOUNPFJEST-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.1109,"smiles":"CC(=O)CCCC1CC2=C(C(=O)O1)C(O)=CC=C2","spectrum_id":"CCMSLIB00005721753","spectrum_index":6439},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380883-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-dihydroxy-2,3,3a-trimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one [IIN-based: Match]","exact_mass":404.182,"inchikey":"DTHZYTRJZMDQLM-QWMBVKPUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":422.2153,"smiles":"COC1=CC(=O)OC(\\\\C=C\\\\C=C\\\\C=C\\\\[C@H]2O[C@H]3O[C@H](C)[C@](C)(O)[C@@]3(C)[C@H]2O)=C1C","spectrum_id":"CCMSLIB00005721754","spectrum_index":6440},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380884-01!(2S,3R,10R,13R,14S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,5-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based: Match]","exact_mass":494.323,"inchikey":"YXPVYQIMXPYFSF-IBKWGOALSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":477.3197,"smiles":"CC(C)[C@](C)(O)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00005721755","spectrum_index":6441},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380884-01!(2S,3R,10R,13R,14S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,5-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based on: CCMSLIB00000847804]","exact_mass":494.323,"inchikey":"YXPVYQIMXPYFSF-IBKWGOALSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":495.3306,"smiles":"CC(C)[C@](C)(O)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00005721756","spectrum_index":6442},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380622-01!3,5-dihydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carboxylic acid [IIN-based: Match]","exact_mass":254.042,"inchikey":"MUGQOWYFWURKCM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.0762,"smiles":"COC1=C2C(=O)OC(O)C2=C(C(O)=O)C(O)=C1C","spectrum_id":"CCMSLIB00005721757","spectrum_index":6443},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380622-01!3,5-dihydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carboxylic acid [IIN-based on: CCMSLIB00000847796]","exact_mass":254.042,"inchikey":"MUGQOWYFWURKCM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.0495,"smiles":"COC1=C2C(=O)OC(O)C2=C(C(O)=O)C(O)=C1C","spectrum_id":"CCMSLIB00005721758","spectrum_index":6444},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016418-16!9-methoxyfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847786]","exact_mass":216.043,"inchikey":"QXKHYNVANLEOEG-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.0753,"smiles":"COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005721759","spectrum_index":6445},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016418-16!9-methoxyfuro[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":216.043,"inchikey":"QXKHYNVANLEOEG-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":234.0766,"smiles":"COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005721760","spectrum_index":6446},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386025-01!hexadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate [IIN-based: Match]","exact_mass":418.311,"inchikey":"ZISDTRGMDDVTKY-CZIZESTLSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.3171,"smiles":"CCCCCCCCCCCCCCCCOC(=O)\\\\C=C\\\\C1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00005721761","spectrum_index":6447},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380362-01!1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one [IIN-based on: CCMSLIB00000848731]","exact_mass":346.142,"inchikey":"NOFGKTVEZONBCG-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":710.3164,"smiles":"OC(CCC(=O)CCC1=CC=C(O)C(O)=C1)CC2=CC(O)=C(O)C=C2","spectrum_id":"CCMSLIB00005721762","spectrum_index":6448},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380362-01!1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one [IIN-based: Match]","exact_mass":346.142,"inchikey":"NOFGKTVEZONBCG-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.1761,"smiles":"OC(CCC(=O)CCC1=CC=C(O)C(O)=C1)CC2=CC(O)=C(O)C=C2","spectrum_id":"CCMSLIB00005721763","spectrum_index":6449},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385108-01!2,3-dimethoxy-5-(6,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-yl)cyclohexa-2,5-diene-1,4-dione [IIN-based: Match]","exact_mass":390.132,"inchikey":"TZOHVRDKXUMVIU-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":408.1653,"smiles":"COC1=C(OC)C(OC)=C2OCC(CC2=C1)C3=CC(=O)C(OC)=C(OC)C3=O","spectrum_id":"CCMSLIB00005721764","spectrum_index":6450},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347406-02!5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid [IIN-based on: CCMSLIB00000847901]","exact_mass":350.211,"inchikey":"XKXZAYIPFRBKHT-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.2173,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O","spectrum_id":"CCMSLIB00005721765","spectrum_index":6451},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347406-02!5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid [IIN-based: Match]","exact_mass":350.211,"inchikey":"XKXZAYIPFRBKHT-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":368.2442,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O","spectrum_id":"CCMSLIB00005721766","spectrum_index":6452},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347392-02!(2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,6aR,6bS,8aS,12aS,14bR)-4-carboxy-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based: Match]","exact_mass":1088.5,"inchikey":"RPWKGRUCXRZSSG-HGHIBLDCSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1089.507,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@@](C)(C7CC[C@@]6(C)[C@]5(C)CC4)C(O)=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00005721767","spectrum_index":6453},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385154-01!4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848662]","exact_mass":598.19,"inchikey":"WHICJDPSYBJDEN-NQXQTLPHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":616.2237,"smiles":"CC(C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(O)COC3=C4C=CC(=O)OC4=CC5=C3C=CO5","spectrum_id":"CCMSLIB00005721768","spectrum_index":6454},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385154-01!4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":598.19,"inchikey":"WHICJDPSYBJDEN-NQXQTLPHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":599.1972,"smiles":"CC(C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(O)COC3=C4C=CC(=O)OC4=CC5=C3C=CO5","spectrum_id":"CCMSLIB00005721769","spectrum_index":6455},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381275-01!(2,5-dibenzoyloxy-1,6-dihydroxycyclohex-3-en-1-yl)methyl benzoate [IIN-based: Match]","exact_mass":488.148,"inchikey":"UEYWXBQABUNMMN-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.1455,"smiles":"OC1C(OC(=O)C2=CC=CC=C2)C=CC(OC(=O)C3=CC=CC=C3)C1(O)COC(=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005721770","spectrum_index":6456},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169400-02!methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate [IIN-based: Match]","exact_mass":352.115,"inchikey":"TWSUSRQZTZUYSD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":370.148,"smiles":"COC(CC(OC)C1=C(O)C2=C(C=C(C)OC2=O)C=C1O)C(=O)OC","spectrum_id":"CCMSLIB00005721771","spectrum_index":6457},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169400-02!methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate [IIN-based on: CCMSLIB00000848099]","exact_mass":352.115,"inchikey":"TWSUSRQZTZUYSD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":722.2643,"smiles":"COC(CC(OC)C1=C(O)C2=C(C=C(C)OC2=O)C=C1O)C(=O)OC","spectrum_id":"CCMSLIB00005721772","spectrum_index":6458},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169400-02!methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate [IIN-based on: CCMSLIB00000848099]","exact_mass":352.115,"inchikey":"TWSUSRQZTZUYSD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.122,"smiles":"COC(CC(OC)C1=C(O)C2=C(C=C(C)OC2=O)C=C1O)C(=O)OC","spectrum_id":"CCMSLIB00005721773","spectrum_index":6459},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380888-01![(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [IIN-based: Match]","exact_mass":786.258,"inchikey":"SDRRSTAVRUERNC-JASYHDAHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":787.2651,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC=C(O)C(O)=C3)O[C@H](CO)[C@H]2OC(=O)\\\\C=C\\\\C4=CC(O)=C(O)C=C4)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721774","spectrum_index":6460},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386032-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one [IIN-based: Match]","exact_mass":756.212,"inchikey":"VNLOLXSJMINBIS-CTLJHIMSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":757.2221,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC=C(O)C=C5)[C@H](OC6OC(CO)C(O)C(O)C6O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721775","spectrum_index":6461},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169984-03!(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid [IIN-based on: CCMSLIB00000847509]","exact_mass":516.127,"inchikey":"KRZBCHWVBQOTNZ-RDJMKVHDSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1033.2571,"smiles":"O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\\\\C=C\\\\C2=CC(O)=C(O)C=C2)C(O)=O)OC(=O)\\\\C=C\\\\C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00005721776","spectrum_index":6462},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169984-03!(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid [IIN-based on: CCMSLIB00000847509]","exact_mass":516.127,"inchikey":"KRZBCHWVBQOTNZ-RDJMKVHDSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":539.1184,"smiles":"O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\\\\C=C\\\\C2=CC(O)=C(O)C=C2)C(O)=O)OC(=O)\\\\C=C\\\\C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00005721777","spectrum_index":6463},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169984-03!(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid [IIN-based on: CCMSLIB00000847509]","exact_mass":516.127,"inchikey":"KRZBCHWVBQOTNZ-RDJMKVHDSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1050.2821,"smiles":"O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\\\\C=C\\\\C2=CC(O)=C(O)C=C2)C(O)=O)OC(=O)\\\\C=C\\\\C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00005721778","spectrum_index":6464},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169984-03!(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid [IIN-based: Match]","exact_mass":516.127,"inchikey":"KRZBCHWVBQOTNZ-RDJMKVHDSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.1358,"smiles":"O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\\\\C=C\\\\C2=CC(O)=C(O)C=C2)C(O)=O)OC(=O)\\\\C=C\\\\C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00005721779","spectrum_index":6465},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380316-01!(2Z)-2-[(E)-11-hydroxy-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid [IIN-based: Match]","exact_mass":412.282,"inchikey":"YOSAXDOXINGSJA-IEDLQYJHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.2896,"smiles":"CC(CC(C)C(C)O)CC(CO)CC(C)\\\\C=C(C)\\\\C=C(\\\\CC(C)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005721780","spectrum_index":6466},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380315-01!2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid [IIN-based on: CCMSLIB00000847188]","exact_mass":304.098,"inchikey":"OGTDCWCKOKLYSK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":631.1843,"smiles":"CC1CCC(=O)CC(CCC(=O)O1)SCC(O)C(O)=O","spectrum_id":"CCMSLIB00005721781","spectrum_index":6467},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380315-01!2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid [IIN-based: Match]","exact_mass":304.098,"inchikey":"OGTDCWCKOKLYSK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":322.1319,"smiles":"CC1CCC(=O)CC(CCC(=O)O1)SCC(O)C(O)=O","spectrum_id":"CCMSLIB00005721782","spectrum_index":6468},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380315-01!2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid [IIN-based on: CCMSLIB00000847188]","exact_mass":304.098,"inchikey":"OGTDCWCKOKLYSK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.1052,"smiles":"CC1CCC(=O)CC(CCC(=O)O1)SCC(O)C(O)=O","spectrum_id":"CCMSLIB00005721783","spectrum_index":6469},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380318-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate [IIN-based: Match]","exact_mass":510.266,"inchikey":"VTEOBBGFBSSFNH-HIUXYCDVSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":528.3003,"smiles":"CC(C)CCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721784","spectrum_index":6470},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380318-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate [IIN-based on: CCMSLIB00000847198]","exact_mass":510.266,"inchikey":"VTEOBBGFBSSFNH-HIUXYCDVSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1038.561,"smiles":"CC(C)CCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721785","spectrum_index":6471},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380291-01![(2R,3S,4S,5R,6S)-6-(3,4-dihydroxybenzoyl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate [IIN-based: Match]","exact_mass":452.095,"inchikey":"VNQNUULCMPXFER-XDCWJTEKSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":470.1293,"smiles":"O[C@@H]1[C@@H](COC(=O)C2=CC(O)=C(O)C=C2)O[C@@H](OC(=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721786","spectrum_index":6472},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385155-01!7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848947]","exact_mass":382.215,"inchikey":"FCWYNTDTQPCVPG-WTMJVXIESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":765.4376,"smiles":"CC1(C)[C@H](O)CC[C@@]2(C)[C@@H](COC3=CC=C4C=CC(=O)OC4=C3)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00005721787","spectrum_index":6473},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385155-01!7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based: Match]","exact_mass":382.215,"inchikey":"FCWYNTDTQPCVPG-WTMJVXIESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.2494,"smiles":"CC1(C)[C@H](O)CC[C@@]2(C)[C@@H](COC3=CC=C4C=CC(=O)OC4=C3)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00005721788","spectrum_index":6474},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347635-02![5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate [IIN-based on: CCMSLIB00000848998]","exact_mass":340.188,"inchikey":"MPXXSICHRNCHHK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":698.4102,"smiles":"CCC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O","spectrum_id":"CCMSLIB00005721789","spectrum_index":6475},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347635-02![5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate [IIN-based on: CCMSLIB00000848998]","exact_mass":340.188,"inchikey":"MPXXSICHRNCHHK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":703.3669,"smiles":"CCC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O","spectrum_id":"CCMSLIB00005721790","spectrum_index":6476},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347635-02![5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate [IIN-based: Match]","exact_mass":340.188,"inchikey":"MPXXSICHRNCHHK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.1949,"smiles":"CCC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O","spectrum_id":"CCMSLIB00005721791","spectrum_index":6477},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380466-01! [IIN-based: Match]","exact_mass":948.494,"inchikey":"MKLSDOYALQNPMS-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":966.5269,"smiles":"CC(C(O)CC(C)=C(C)C)C1CCC2C3C4OC4C5(O)CC(CC(O)C5(C)C3CCC12C)OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C6O","spectrum_id":"CCMSLIB00005721792","spectrum_index":6478},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380582-01![(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based: Match]","exact_mass":588.145,"inchikey":"YPFUHFNAEWURDN-ZKPBLSLZSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":606.1805,"smiles":"O[C@@H]1[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H](OC3=CC(O)=C(C(=O)CCC4=CC=C(O)C=C4)C(O)=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721793","spectrum_index":6479},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380582-01![(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based on: CCMSLIB00000849006]","exact_mass":588.145,"inchikey":"YPFUHFNAEWURDN-ZKPBLSLZSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1177.2978,"smiles":"O[C@@H]1[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H](OC3=CC(O)=C(C(=O)CCC4=CC=C(O)C=C4)C(O)=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721794","spectrum_index":6480},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385404-01!2-hydroxy-3-[2-(7-hydroxy-5-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-8-yl)ethylsulfanyl]propanoic acid [IIN-based on: CCMSLIB00000848339]","exact_mass":356.094,"inchikey":"RVFHMABKCYSPEE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":713.1968,"smiles":"COC1=C2C(=O)CC(C)OC2=C(CCSCC(O)C(O)=O)C(O)=C1","spectrum_id":"CCMSLIB00005721795","spectrum_index":6481},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385404-01!2-hydroxy-3-[2-(7-hydroxy-5-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-8-yl)ethylsulfanyl]propanoic acid [IIN-based: Match]","exact_mass":356.094,"inchikey":"RVFHMABKCYSPEE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.1014,"smiles":"COC1=C2C(=O)CC(C)OC2=C(CCSCC(O)C(O)=O)C(O)=C1","spectrum_id":"CCMSLIB00005721796","spectrum_index":6482},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385404-01!2-hydroxy-3-[2-(7-hydroxy-5-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-8-yl)ethylsulfanyl]propanoic acid [IIN-based on: CCMSLIB00000848339]","exact_mass":356.094,"inchikey":"RVFHMABKCYSPEE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":735.1773,"smiles":"COC1=C2C(=O)CC(C)OC2=C(CCSCC(O)C(O)=O)C(O)=C1","spectrum_id":"CCMSLIB00005721797","spectrum_index":6483},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016415-07!(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol [IIN-based: Match]","exact_mass":290.081,"inchikey":"PFTAWBLQPZVEMU-UKRRQHHQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.0871,"smiles":"O[C@@H]1CC2=C(O[C@@H]1C3=CC(O)=C(O)C=C3)C=C(O)C=C2O","spectrum_id":"CCMSLIB00005721798","spectrum_index":6484},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00016415-07!(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol [IIN-based on: CCMSLIB00000848337]","exact_mass":290.081,"inchikey":"PFTAWBLQPZVEMU-UKRRQHHQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":598.1963,"smiles":"O[C@@H]1CC2=C(O[C@@H]1C3=CC(O)=C(O)C=C3)C=C(O)C=C2O","spectrum_id":"CCMSLIB00005721799","spectrum_index":6485},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380284-01!N-(5-acetamidopentyl)acetamide [IIN-based: Match]","exact_mass":186.137,"inchikey":"FQKKPLXFGDCBJT-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":187.1444,"smiles":"CC(=O)NCCCCCNC(C)=O","spectrum_id":"CCMSLIB00005721800","spectrum_index":6486},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380283-01!4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid [IIN-based on: CCMSLIB00000845587]","exact_mass":460.253,"inchikey":"VJQANBSDAGCDJE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":250.1077,"smiles":"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00005721801","spectrum_index":6487},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380283-01!4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid [IIN-based: Match]","exact_mass":460.253,"inchikey":"VJQANBSDAGCDJE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":483.2429,"smiles":"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00005721802","spectrum_index":6488},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380708-02!dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate [IIN-based: Match]","exact_mass":356.127,"inchikey":"OEWCQSJKSNWJTH-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.1338,"smiles":"COC(=O)C1C(C(C1C2=CC=C(O)C=C2)C(=O)OC)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00005721803","spectrum_index":6489},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380708-02!dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate [IIN-based on: CCMSLIB00000848811]","exact_mass":356.127,"inchikey":"OEWCQSJKSNWJTH-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.1597,"smiles":"COC(=O)C1C(C(C1C2=CC=C(O)C=C2)C(=O)OC)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00005721804","spectrum_index":6490},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180532-02!(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000848005]","exact_mass":216.137,"inchikey":"HTCUURQJNZBKIA-XFWSIPNHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.2623,"smiles":"CC[C@H](O)C[C@@H]1CC[C@@H](O1)[C@@H](C)C(O)=O","spectrum_id":"CCMSLIB00005721805","spectrum_index":6491},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180532-02!(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid [IIN-based: Match]","exact_mass":216.137,"inchikey":"HTCUURQJNZBKIA-XFWSIPNHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":234.1705,"smiles":"CC[C@H](O)C[C@@H]1CC[C@@H](O1)[C@@H](C)C(O)=O","spectrum_id":"CCMSLIB00005721806","spectrum_index":6492},{"adduct":"[3M-H+Ca]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180532-02!(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000848005]","exact_mass":216.137,"inchikey":"HTCUURQJNZBKIA-XFWSIPNHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":687.3636,"smiles":"CC[C@H](O)C[C@@H]1CC[C@@H](O1)[C@@H](C)C(O)=O","spectrum_id":"CCMSLIB00005721807","spectrum_index":6493},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180532-02!(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000848005]","exact_mass":216.137,"inchikey":"HTCUURQJNZBKIA-XFWSIPNHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.2808,"smiles":"CC[C@H](O)C[C@@H]1CC[C@@H](O1)[C@@H](C)C(O)=O","spectrum_id":"CCMSLIB00005721808","spectrum_index":6494},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179860-02!6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid [IIN-based on: CCMSLIB00000848017]","exact_mass":590.383,"inchikey":"BBMULGJBVDDDNI-OWKLGTHSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1181.7757,"smiles":"CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC3=C(C(O)=O)C(O)=C(C)C=C3","spectrum_id":"CCMSLIB00005721809","spectrum_index":6495},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179860-02!6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid [IIN-based: Match]","exact_mass":590.383,"inchikey":"BBMULGJBVDDDNI-OWKLGTHSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":613.3714,"smiles":"CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC3=C(C(O)=O)C(O)=C(C)C=C3","spectrum_id":"CCMSLIB00005721810","spectrum_index":6496},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347732-02!methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based: Match]","exact_mass":522.224,"inchikey":"LARSXHUKWMVHRB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.2584,"smiles":"COC(=O)C2(CC1=CC=C(O)C(CC=C(C)C)=C1)OC(=O)C(OC)=C2C3=CC(O)=C(O)C(CC=C(C)C)=C3","spectrum_id":"CCMSLIB00005721811","spectrum_index":6497},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347732-02!methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000845235]","exact_mass":522.224,"inchikey":"LARSXHUKWMVHRB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1045.4558,"smiles":"COC(=O)C2(CC1=CC=C(O)C(CC=C(C)C)=C1)OC(=O)C(OC)=C2C3=CC(O)=C(O)C(CC=C(C)C)=C3","spectrum_id":"CCMSLIB00005721812","spectrum_index":6498},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347732-02!methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000845235]","exact_mass":522.224,"inchikey":"LARSXHUKWMVHRB-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1062.481,"smiles":"COC(=O)C2(CC1=CC=C(O)C(CC=C(C)C)=C1)OC(=O)C(OC)=C2C3=CC(O)=C(O)C(CC=C(C)C)=C3","spectrum_id":"CCMSLIB00005721813","spectrum_index":6499},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380459-01!6-hydroxy-3-[3-hydroxy-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-5,7-dimethoxychromen-4-one [IIN-based: Match]","exact_mass":654.18,"inchikey":"KHCREUNEQGORAM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":655.1873,"smiles":"COC1=C(O)C(OC)=C2C(=O)C(=COC2=C1)C3=CC=C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)=C3","spectrum_id":"CCMSLIB00005721814","spectrum_index":6500},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380585-01!(E)-3-[1-[(E)-but-2-en-2-yl]-9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid [IIN-based on: CCMSLIB00000845223]","exact_mass":440.147,"inchikey":"NTOXIMPFEPXTTB-GNXRPPCSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":898.3295,"smiles":"COC1=C(C)C2=C(OC3=C(CO)C(O)=CC(\\\\C(C)=C\\\\C(O)=O)=C3C(=O)O2)C(=C1)C(\\\\C)=C\\\\C","spectrum_id":"CCMSLIB00005721815","spectrum_index":6501},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380585-01!(E)-3-[1-[(E)-but-2-en-2-yl]-9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid [IIN-based: Match]","exact_mass":440.147,"inchikey":"NTOXIMPFEPXTTB-GNXRPPCSSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.1435,"smiles":"COC1=C(C)C2=C(OC3=C(CO)C(O)=CC(\\\\C(C)=C\\\\C(O)=O)=C3C(=O)O2)C(=C1)C(\\\\C)=C\\\\C","spectrum_id":"CCMSLIB00005721816","spectrum_index":6502},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380331-01!methyl 11-hydroxy-10-methyl-4-oxododecanoate [IIN-based on: CCMSLIB00000848759]","exact_mass":258.183,"inchikey":"PVSIWGFKCZWYGE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":223.1692,"smiles":"COC(=O)CCC(=O)CCCCCC(C)C(C)O","spectrum_id":"CCMSLIB00005721817","spectrum_index":6503},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380331-01!methyl 11-hydroxy-10-methyl-4-oxododecanoate [IIN-based: Match]","exact_mass":258.183,"inchikey":"PVSIWGFKCZWYGE-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.2172,"smiles":"COC(=O)CCC(=O)CCCCCC(C)C(C)O","spectrum_id":"CCMSLIB00005721818","spectrum_index":6504},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347727-02!4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one [IIN-based: Match]","exact_mass":322.142,"inchikey":"BYGXUUOADNRIED-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.1492,"smiles":"COC1(C)C(O)C(=O)C(C)=C(OC2=CC(C)=CC(O)=C2C)C1O","spectrum_id":"CCMSLIB00005721819","spectrum_index":6505},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one [IIN-based: Match]","exact_mass":434.231,"inchikey":"UXTZIHZDUIRZDY-JASOSIDASA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.2386,"smiles":"COC1=C(C)C(=O)OC(=C1C)C(C)(O)C(O)C(\\\\C)=C\\\\C(C)=C\\\\C2(C)OC(C)C3(C)OC23","spectrum_id":"CCMSLIB00005721820","spectrum_index":6506},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one [IIN-based on: CCMSLIB00000847677]","exact_mass":434.231,"inchikey":"UXTZIHZDUIRZDY-JASOSIDASA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":886.495,"smiles":"COC1=C(C)C(=O)OC(=C1C)C(C)(O)C(O)C(\\\\C)=C\\\\C(C)=C\\\\C2(C)OC(C)C3(C)OC23","spectrum_id":"CCMSLIB00005721821","spectrum_index":6507},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one [IIN-based: Match]","exact_mass":434.231,"inchikey":"UXTZIHZDUIRZDY-JASOSIDASA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.2276,"smiles":"COC1=C(C)C(=O)OC(=C1C)C(C)(O)C(O)C(\\\\C)=C\\\\C(C)=C\\\\C2(C)OC(C)C3(C)OC23","spectrum_id":"CCMSLIB00005721823","spectrum_index":6508},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one [IIN-based: Match]","exact_mass":434.231,"inchikey":"UXTZIHZDUIRZDY-JASOSIDASA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.2285,"smiles":"COC1=C(C)C(=O)OC(=C1C)C(C)(O)C(O)C(\\\\C)=C\\\\C(C)=C\\\\C2(C)OC(C)C3(C)OC23","spectrum_id":"CCMSLIB00005721824","spectrum_index":6509},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380332-01!5-amino-3-[(2E)-2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl]-5-oxopentanoic acid [IIN-based: Match]","exact_mass":281.162,"inchikey":"VUHCEJPYCQSKEW-UUILKARUSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.1694,"smiles":"CC1CC(C)C(=O)\\\\C(C1)=C\\\\CC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00005721825","spectrum_index":6510},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169050-02![3,4-dihydroxy-5-[[3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate [IIN-based: Match]","exact_mass":658.211,"inchikey":"YYIPXGSVFFKMDD-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":659.2184,"smiles":"COC1=CC(=CC(OC)=C1O)C(=O)OCC2(O)COC(OCC3OC(OC4=C(OC)C=C(CO)C=C4OC)C(O)C(O)C3O)C2O","spectrum_id":"CCMSLIB00005721826","spectrum_index":6511},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380277-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one [IIN-based: Match]","exact_mass":770.228,"inchikey":"ZJOJKSKTNZMQCX-BRPHUSHRSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":771.2359,"smiles":"COC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(=O)C2=C1O","spectrum_id":"CCMSLIB00005721827","spectrum_index":6512},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169106-02![(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [IIN-based: Match]","exact_mass":478.148,"inchikey":"LFKQVVDFNHDYNK-FOXCETOMSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.156,"smiles":"O[C@@H]1[C@@H](COC(=O)\\\\C=C\\\\C2=CC(O)=C(O)C=C2)O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721828","spectrum_index":6513},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347705-02![2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 3-methylbutanoate [IIN-based: Match]","exact_mass":388.155,"inchikey":"OCJYICPEXFGZLF-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.1615,"smiles":"CC(C)CC(=O)OC1C(OC2=CC3=C(C=CC(=O)O3)C=C12)C(C)(C)OC(C)=O","spectrum_id":"CCMSLIB00005721829","spectrum_index":6514},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384606-01![4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]","exact_mass":368.11,"inchikey":"QXRDTLAXUJONPD-QPJJXVBHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.0738,"smiles":"CC(=O)OC1C(O)C(CO)OC(O)C1OC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00005721830","spectrum_index":6515},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384606-01![4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000847875]","exact_mass":368.111,"inchikey":"QXRDTLAXUJONPD-QPJJXVBHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.1077,"smiles":"CC(=O)OC1C(O)C(CO)OC(O)C1OC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00005721831","spectrum_index":6516},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384606-01![4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000847875]","exact_mass":368.111,"inchikey":"QXRDTLAXUJONPD-QPJJXVBHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.1181,"smiles":"CC(=O)OC1C(O)C(CO)OC(O)C1OC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00005721832","spectrum_index":6517},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384606-01![4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000847875]","exact_mass":368.111,"inchikey":"QXRDTLAXUJONPD-QPJJXVBHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":754.2556,"smiles":"CC(=O)OC1C(O)C(CO)OC(O)C1OC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00005721833","spectrum_index":6518},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384606-01![4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]","exact_mass":368.111,"inchikey":"QXRDTLAXUJONPD-QPJJXVBHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":386.1447,"smiles":"CC(=O)OC1C(O)C(CO)OC(O)C1OC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2","spectrum_id":"CCMSLIB00005721834","spectrum_index":6519},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380595-01!(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde [IIN-based: Match]","exact_mass":236.068,"inchikey":"QVMUHZHZYCDMAI-RYUDHWBXSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.0746,"smiles":"CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1","spectrum_id":"CCMSLIB00005721835","spectrum_index":6520},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380462-01!5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]","exact_mass":518.127,"inchikey":"YRVGYJMSCQFOCA-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.1605,"smiles":"OCC1OC(OC2=C3OC(=O)C=CC3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C2O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005721836","spectrum_index":6521},{"adduct":"[3M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380967-01! [IIN-based on: CCMSLIB00000848027]","exact_mass":354.11,"inchikey":"ZUEKQPJBVORAFH-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1085.3171,"smiles":"COC1=C2C(=O)C3=C(OC2=CC=C1)C=C4OC5(C)CCCC(O5)C4=C3O","spectrum_id":"CCMSLIB00005721837","spectrum_index":6522},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380967-01! [IIN-based: Match]","exact_mass":354.11,"inchikey":"ZUEKQPJBVORAFH-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.1176,"smiles":"COC1=C2C(=O)C3=C(OC2=CC=C1)C=C4OC5(C)CCCC(O5)C4=C3O","spectrum_id":"CCMSLIB00005721838","spectrum_index":6523},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381030-01!2-(2-hydroxypropan-2-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":424.138,"inchikey":"HGHSJJSYVZPIAW-NWMIEQKASA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.144,"smiles":"CC(C)(O)C1OC2=C(C=C3C=CC(=O)OC3=C2)C1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O","spectrum_id":"CCMSLIB00005721839","spectrum_index":6524},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381033-01!6-[(E)-3,4-dihydroxypent-1-enyl]pyran-2-one [IIN-based: Match]","exact_mass":196.074,"inchikey":"HAMNKHJHOZJTEE-AATRIKPKSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":214.108,"smiles":"CC(O)C(O)\\\\C=C\\\\C1=CC=CC(=O)O1","spectrum_id":"CCMSLIB00005721840","spectrum_index":6525},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385816-01!(10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate [IIN-based: Match]","exact_mass":344.129,"inchikey":"KJWFOHVSTFGWGZ-YHYXMXQVSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":362.162,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1C(O)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00005721841","spectrum_index":6526},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180704-02!(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,8R,10R,12R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":1078.59,"inchikey":"NODILNFGTFIURN-VKZNSASESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1061.5913,"smiles":"CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C6CC[C@@]45C","spectrum_id":"CCMSLIB00005721842","spectrum_index":6527},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180704-02!(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,8R,10R,12R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000847353]","exact_mass":1078.59,"inchikey":"NODILNFGTFIURN-VKZNSASESA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1096.6289,"smiles":"CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C6CC[C@@]45C","spectrum_id":"CCMSLIB00005721843","spectrum_index":6528},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381255-01!8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid [IIN-based on: CCMSLIB00000848611]","exact_mass":244.131,"inchikey":"QSAIBULZNVPLAJ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":262.1651,"smiles":"COC(=O)C(CCCCC(C)O)C(=C)C(O)=O","spectrum_id":"CCMSLIB00005721845","spectrum_index":6529},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381255-01!8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid [IIN-based: Match]","exact_mass":244.131,"inchikey":"QSAIBULZNVPLAJ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.1382,"smiles":"COC(=O)C(CCCCC(C)O)C(=C)C(O)=O","spectrum_id":"CCMSLIB00005721846","spectrum_index":6530},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385134-01![(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate [IIN-based: Match]","exact_mass":636.096,"inchikey":"MACFXELYCBWKGT-VFTFQOQOSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":637.1041,"smiles":"OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@@H]1O","spectrum_id":"CCMSLIB00005721847","spectrum_index":6531},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169958-02![(2R,3R,4S,5R,6S)-3,5-dihydroxy-4-[(E)-3-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)prop-2-enoyl]oxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)prop-2-enoate [IIN-based: Match]","exact_mass":596.153,"inchikey":"UJKUPLFZLUIDFV-QEVJKITNSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":614.1867,"smiles":"O[C@@H]1[C@@H](COC(=O)\\\\C=C\\\\C2(O)C=CC(=O)C=C2)O[C@@H](OC3=CC=C(O)C=C3)[C@H](O)[C@H]1OC(=O)\\\\C=C\\\\C4(O)C=CC(=O)C=C4","spectrum_id":"CCMSLIB00005721848","spectrum_index":6532},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380264-01!6-[6-[[10-acetyloxy-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylpropanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid [IIN-based: Match]","exact_mass":1264.6,"inchikey":"FFEZXYJBMGDYNX-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1282.6348,"smiles":"CC(C)C(=O)OC1C(OC(C)=O)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C)C(OC7OC(C(O)C(OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C7O)C(O)=O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C12CO","spectrum_id":"CCMSLIB00005721849","spectrum_index":6533},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380469-01![2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate [IIN-based: Match]","exact_mass":374.136,"inchikey":"IAFDNCWNSBMBIV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":392.1692,"smiles":"CC(C)C(=O)OC1C(OC2=C1C=C3C=CC(=O)OC3=C2)C(C)(C)OC(C)=O","spectrum_id":"CCMSLIB00005721850","spectrum_index":6534},{"adduct":"[3M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380469-01![2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate [IIN-based on: CCMSLIB00000848504]","exact_mass":374.136,"inchikey":"IAFDNCWNSBMBIV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1145.3962,"smiles":"CC(C)C(=O)OC1C(OC2=C1C=C3C=CC(=O)OC3=C2)C(C)(C)OC(C)=O","spectrum_id":"CCMSLIB00005721851","spectrum_index":6535},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380596-01!2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,6-dihydroxybenzoyl]-5-formyl-3-hydroxybenzoic acid [IIN-based on: CCMSLIB00000848506]","exact_mass":438.17,"inchikey":"HTPFCQBRMHUAEU-VIZOYTHASA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.1588,"smiles":"CC(C)=CCC\\\\C(C)=C\\\\CC1=C(O)C(C(=O)C2=C(C=C(C=O)C=C2O)C(O)=O)=C(O)C=C1","spectrum_id":"CCMSLIB00005721852","spectrum_index":6536},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380596-01!2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,6-dihydroxybenzoyl]-5-formyl-3-hydroxybenzoic acid [IIN-based: Match]","exact_mass":438.17,"inchikey":"HTPFCQBRMHUAEU-VIZOYTHASA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.1773,"smiles":"CC(C)=CCC\\\\C(C)=C\\\\CC1=C(O)C(C(=O)C2=C(C=C(C=O)C=C2O)C(O)=O)=C(O)C=C1","spectrum_id":"CCMSLIB00005721853","spectrum_index":6537},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381018-01![3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-4,5-dimethoxybenzoate [IIN-based: Match]","exact_mass":360.107,"inchikey":"CXFDTBRNJQYDLK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.1397,"smiles":"COC1=CC(=CC(O)=C1OC)C(=O)OC2OC(CO)C(O)C(O)C2O","spectrum_id":"CCMSLIB00005721854","spectrum_index":6538},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381018-01![3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-4,5-dimethoxybenzoate [IIN-based: Match]","exact_mass":360.106,"inchikey":"CXFDTBRNJQYDLK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.1396,"smiles":"COC1=CC(=CC(O)=C1OC)C(=O)OC2OC(CO)C(O)C(O)C2O","spectrum_id":"CCMSLIB00005721855","spectrum_index":6539},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381028-01!7-(1,2-dihydroxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one [IIN-based: Match]","exact_mass":268.095,"inchikey":"YWEIWRDWTNXMJK-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.1025,"smiles":"COC1=C(C(O)CO)C(O)=C2C(=O)CCC(O)C2=C1","spectrum_id":"CCMSLIB00005721856","spectrum_index":6540},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384591-01![3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848345]","exact_mass":386.137,"inchikey":"QPQHCRKTYXPSQG-XGICHPGQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.1332,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(C)(C)C(O)COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005721857","spectrum_index":6541},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384591-01![3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848345]","exact_mass":386.137,"inchikey":"QPQHCRKTYXPSQG-XGICHPGQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":773.2794,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(C)(C)C(O)COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005721858","spectrum_index":6542},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384591-01![3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based: Match]","exact_mass":386.137,"inchikey":"QPQHCRKTYXPSQG-XGICHPGQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.1713,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(C)(C)C(O)COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005721859","spectrum_index":6543},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384591-01![3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848345]","exact_mass":386.137,"inchikey":"QPQHCRKTYXPSQG-XGICHPGQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.1441,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(C)(C)C(O)COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005721860","spectrum_index":6544},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384615-01!3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one [IIN-based on: CCMSLIB00000848348]","exact_mass":758.191,"inchikey":"RWMOXJYSVNRRGE-UKBOIMOLSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":759.1986,"smiles":"OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC(O)=C(O)C=C5)[C@@H]2O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721861","spectrum_index":6545},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00384615-01!3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one [IIN-based on: CCMSLIB00000848348]","exact_mass":758.191,"inchikey":"RWMOXJYSVNRRGE-UKBOIMOLSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":778.1729,"smiles":"OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC(O)=C(O)C=C5)[C@@H]2O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721862","spectrum_index":6546},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384615-01!3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one [IIN-based: Match]","exact_mass":758.191,"inchikey":"RWMOXJYSVNRRGE-UKBOIMOLSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":781.1794,"smiles":"OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C5=CC(O)=C(O)C=C5)[C@@H]2O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005721863","spectrum_index":6547},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180573-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid [IIN-based: Match]","exact_mass":414.262,"inchikey":"WGVQPPKZKAJDGR-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.2515,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(CC)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00005721864","spectrum_index":6548},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347633-02!7-benzyl-11,14,20-trimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone [IIN-based: Match]","exact_mass":669.412,"inchikey":"UCLZXGHPVJMYSQ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":692.4014,"smiles":"CC(C)CC1OC(=O)C2C(C)CCN2C(=O)CCNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00005721865","spectrum_index":6549},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347633-02!7-benzyl-11,14,20-trimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone [IIN-based on: CCMSLIB00000848765]","exact_mass":669.412,"inchikey":"UCLZXGHPVJMYSQ-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":670.4188,"smiles":"CC(C)CC1OC(=O)C2C(C)CCN2C(=O)CCNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00005721866","spectrum_index":6550},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380246-01!7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":712.221,"inchikey":"VWZAZEGRFSUWHJ-WPJUDIRVSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":713.23,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)O[C@H]2OC4=CC(O)=C5C(=O)CC(OC5=C4)C6=CC=C(O)C=C6)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721867","spectrum_index":6551},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380272-01!5,8-dihydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]","exact_mass":386.086,"inchikey":"CZSKYBTXDJQXNC-ZFQONWCHSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.0928,"smiles":"COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C3OC(=O)C=CC3=C1O","spectrum_id":"CCMSLIB00005721868","spectrum_index":6552},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385410-01!2,3-dihydroxypropyl 3-hydroxy-13-methyltetradecanoate [IIN-based: Match]","exact_mass":332.258,"inchikey":"OQLFZIMUPPRHDP-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":350.292,"smiles":"CC(C)CCCCCCCCCC(O)CC(=O)OCC(O)CO","spectrum_id":"CCMSLIB00005721869","spectrum_index":6553},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347636-02![2-[2-(2-methylpropanoyloxy)propan-2-yl]-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate [IIN-based: Match]","exact_mass":402.169,"inchikey":"TZCDAGMXXYRIKO-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":420.2023,"smiles":"CC(C)C(=O)OC1C(OC2=CC3=C(C=CC(=O)O3)C=C12)C(C)(C)OC(=O)C(C)C","spectrum_id":"CCMSLIB00005721871","spectrum_index":6554},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169062-03! [IIN-based on: CCMSLIB00000845045]","exact_mass":306.111,"inchikey":"BVDHPBILFRQGEC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":324.1438,"smiles":"CC1CCCC2OC2C(=O)C3=C(CC(=O)O1)C=C(O)C=C3O","spectrum_id":"CCMSLIB00005721872","spectrum_index":6555},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169062-03! [IIN-based: Match]","exact_mass":306.111,"inchikey":"BVDHPBILFRQGEC-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.1173,"smiles":"CC1CCCC2OC2C(=O)C3=C(CC(=O)O1)C=C(O)C=C3O","spectrum_id":"CCMSLIB00005721873","spectrum_index":6556},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179830-03!2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845049]","exact_mass":386.232,"inchikey":"VIHRKOVEWCGJQP-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.2378,"smiles":"CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00005721874","spectrum_index":6557},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179830-03!2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based: Match]","exact_mass":386.232,"inchikey":"VIHRKOVEWCGJQP-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.2667,"smiles":"CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00005721875","spectrum_index":6558},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168916-02!6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxypyran-2-one [IIN-based: Match]","exact_mass":274.084,"inchikey":"BYHVZDRLSCCTND-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":292.1183,"smiles":"COC1=CC(=O)OC(CCC2=CC3=C(OCO3)C=C2)=C1","spectrum_id":"CCMSLIB00005721876","spectrum_index":6559},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168916-02!6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxypyran-2-one [IIN-based on: CCMSLIB00000846255]","exact_mass":274.084,"inchikey":"BYHVZDRLSCCTND-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":549.1762,"smiles":"COC1=CC(=O)OC(CCC2=CC3=C(OCO3)C=C2)=C1","spectrum_id":"CCMSLIB00005721877","spectrum_index":6560},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168916-02!6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxypyran-2-one [IIN-based on: CCMSLIB00000846255]","exact_mass":274.084,"inchikey":"BYHVZDRLSCCTND-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":571.1581,"smiles":"COC1=CC(=O)OC(CCC2=CC3=C(OCO3)C=C2)=C1","spectrum_id":"CCMSLIB00005721878","spectrum_index":6561},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380346-01!2-(7-hydroxyoctyl)pentanedioic acid [IIN-based on: CCMSLIB00000846675]","exact_mass":260.163,"inchikey":"JJZBHTNQMXMCHH-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.3341,"smiles":"CC(O)CCCCCCC(CCC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005721879","spectrum_index":6562},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380346-01!2-(7-hydroxyoctyl)pentanedioic acid [IIN-based on: CCMSLIB00000846675]","exact_mass":260.163,"inchikey":"JJZBHTNQMXMCHH-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":278.1966,"smiles":"CC(O)CCCCCCC(CCC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005721880","spectrum_index":6563},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380346-01!2-(7-hydroxyoctyl)pentanedioic acid [IIN-based: Match]","exact_mass":260.163,"inchikey":"JJZBHTNQMXMCHH-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.1702,"smiles":"CC(O)CCCCCCC(CCC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005721881","spectrum_index":6564},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385215-01! [IIN-based: Match]","exact_mass":426.132,"inchikey":"OFLCPNIRDVOOEZ-WZONZLPQSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.1388,"smiles":"COC1=CC2=C(C=C1OC)[C@@]3(O)[C@@H](CO2)OC4=C(C(O)=CC5=C4C=CC(C)(C)O5)C3=O","spectrum_id":"CCMSLIB00005721882","spectrum_index":6565},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based: Match]","exact_mass":356.222,"inchikey":"WKPLWDFQTVJLIX-WFYKWJGLSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.2279,"smiles":"COC(=O)C(CO)C(O)CCCCC(C)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005721883","spectrum_index":6566},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based on: CCMSLIB00000847297]","exact_mass":356.222,"inchikey":"WKPLWDFQTVJLIX-WFYKWJGLSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.2102,"smiles":"COC(=O)C(CO)C(O)CCCCC(C)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005721884","spectrum_index":6567},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based on: CCMSLIB00000847297]","exact_mass":356.222,"inchikey":"WKPLWDFQTVJLIX-WFYKWJGLSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.2181,"smiles":"COC(=O)C(CO)C(O)CCCCC(C)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005721885","spectrum_index":6568},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180191-02!8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one [IIN-based: Match]","exact_mass":276.1,"inchikey":"DKEANOQWICTXTP-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.0958,"smiles":"COC1=C(C(O)C(O)C(C)=C)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005721886","spectrum_index":6569},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180191-02!8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one [IIN-based on: CCMSLIB00000848547]","exact_mass":276.1,"inchikey":"DKEANOQWICTXTP-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":575.1898,"smiles":"COC1=C(C(O)C(O)C(C)=C)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005721887","spectrum_index":6570},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381266-01!4-hydroxy-5-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-3-methylhexan-2-one [IIN-based on: CCMSLIB00000848552]","exact_mass":276.172,"inchikey":"FTTQBBNJVTYJPS-AATRIKPKSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.161,"smiles":"CC(C(O)C(C)C1=C(\\\\C=C\\\\CO)C=C(C)C=C1)C(C)=O","spectrum_id":"CCMSLIB00005721888","spectrum_index":6571},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381266-01!4-hydroxy-5-[2-[(E)-3-hydroxyprop-1-enyl]-4-methylphenyl]-3-methylhexan-2-one [IIN-based: Match]","exact_mass":276.172,"inchikey":"FTTQBBNJVTYJPS-AATRIKPKSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.1686,"smiles":"CC(C(O)C(C)C1=C(\\\\C=C\\\\CO)C=C(C)C=C1)C(C)=O","spectrum_id":"CCMSLIB00005721889","spectrum_index":6572},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381267-01![(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-4-yl] (E)-3-phenylprop-2-enoate [IIN-based: Match]","exact_mass":586.205,"inchikey":"CEYGYPUVRXNKQV-RKLDQHABSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":587.2124,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)\\\\C=C\\\\C3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](OC(=O)\\\\C=C\\\\C4=CC=CC=C4)[C@H]1O","spectrum_id":"CCMSLIB00005721890","spectrum_index":6573},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380692-01!3-[5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-8-yl]hexanoic acid [IIN-based on: CCMSLIB00000847824]","exact_mass":404.22,"inchikey":"UDVTWMLZUGXNQM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":831.4288,"smiles":"CCCC(CC(O)=O)C1=C2OC(C)C(C)C(=O)C2=C(O)C(CC=C(C)C)=C1OC","spectrum_id":"CCMSLIB00005721891","spectrum_index":6574},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380692-01!3-[5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-8-yl]hexanoic acid [IIN-based on: CCMSLIB00000847824]","exact_mass":404.22,"inchikey":"UDVTWMLZUGXNQM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":826.4743,"smiles":"CCCC(CC(O)=O)C1=C2OC(C)C(C)C(=O)C2=C(O)C(CC=C(C)C)=C1OC","spectrum_id":"CCMSLIB00005721892","spectrum_index":6575},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380692-01!3-[5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-8-yl]hexanoic acid [IIN-based: Match]","exact_mass":404.22,"inchikey":"UDVTWMLZUGXNQM-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.2282,"smiles":"CCCC(CC(O)=O)C1=C2OC(C)C(C)C(=O)C2=C(O)C(CC=C(C)C)=C1OC","spectrum_id":"CCMSLIB00005721893","spectrum_index":6576},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385721-01![(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based: Match]","exact_mass":632.102,"inchikey":"FOMYLMGOSTVYEE-LEENXRGASA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":650.1353,"smiles":"O[C@@H]1[C@H](O)[C@@H](O)[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C(O)=C4)O[C@@H]1COC(=O)C5=CC(O)=C(O)C(O)=C5","spectrum_id":"CCMSLIB00005721894","spectrum_index":6577},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380472-01!4,7,8-trimethoxy-3,5-dimethylchromen-2-one [IIN-based: Match]","exact_mass":264.099,"inchikey":"PKKTXAMCHLIVDS-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.106,"smiles":"COC1=C(OC)C2=C(C(C)=C1)C(OC)=C(C)C(=O)O2","spectrum_id":"CCMSLIB00005721895","spectrum_index":6578},{"adduct":"[3M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00169887-02!2-(2-acetyl-3-hydroxy-5-methoxyphenyl)acetic acid [IIN-based on: CCMSLIB00000845767]","exact_mass":224.068,"inchikey":"UYUOIPIOTPMHKV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":356.0836,"smiles":"COC1=CC(CC(O)=O)=C(C(C)=O)C(O)=C1","spectrum_id":"CCMSLIB00005721896","spectrum_index":6579},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169887-02!2-(2-acetyl-3-hydroxy-5-methoxyphenyl)acetic acid [IIN-based: Match]","exact_mass":224.068,"inchikey":"UYUOIPIOTPMHKV-UHFFFAOYSA-N","instrument":"qTof","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":225.0748,"smiles":"COC1=CC(CC(O)=O)=C(C(C)=O)C(O)=C1","spectrum_id":"CCMSLIB00005721897","spectrum_index":6580},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380523-01![3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848265]","exact_mass":416.147,"inchikey":"QUSMURJIBTWAOP-WUXMJOGZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.1539,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC(OC(=O)C(\\\\C)=C\\\\C)C(C)(C)O)C3=C1C=CO3","spectrum_id":"CCMSLIB00005721898","spectrum_index":6581},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380523-01![3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based: Match]","exact_mass":416.147,"inchikey":"QUSMURJIBTWAOP-WUXMJOGZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.1436,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC(OC(=O)C(\\\\C)=C\\\\C)C(C)(C)O)C3=C1C=CO3","spectrum_id":"CCMSLIB00005721899","spectrum_index":6582},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380523-01![3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848265]","exact_mass":416.147,"inchikey":"QUSMURJIBTWAOP-WUXMJOGZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":855.2821,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC(OC(=O)C(\\\\C)=C\\\\C)C(C)(C)O)C3=C1C=CO3","spectrum_id":"CCMSLIB00005721900","spectrum_index":6583},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380523-01![3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848265]","exact_mass":416.147,"inchikey":"QUSMURJIBTWAOP-WUXMJOGZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.1363,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC(OC(=O)C(\\\\C)=C\\\\C)C(C)(C)O)C3=C1C=CO3","spectrum_id":"CCMSLIB00005721901","spectrum_index":6584},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347787-02!2,3,8,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene [IIN-based on: CCMSLIB00000847214]","exact_mass":374.136,"inchikey":"VNXYHRRGEDIKJZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":771.2613,"smiles":"COC1=CC2=C(OC3C2COC4=CC(OC)=C(OC)C=C34)C(OC)=C1OC","spectrum_id":"CCMSLIB00005721903","spectrum_index":6585},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347787-02!2,3,8,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene [IIN-based: Match]","exact_mass":374.136,"inchikey":"VNXYHRRGEDIKJZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.1438,"smiles":"COC1=CC2=C(OC3C2COC4=CC(OC)=C(OC)C=C34)C(OC)=C1OC","spectrum_id":"CCMSLIB00005721904","spectrum_index":6586},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347787-02!2,3,8,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene [IIN-based on: CCMSLIB00000847214]","exact_mass":374.136,"inchikey":"VNXYHRRGEDIKJZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.1256,"smiles":"COC1=CC2=C(OC3C2COC4=CC(OC)=C(OC)C=C34)C(OC)=C1OC","spectrum_id":"CCMSLIB00005721905","spectrum_index":6587},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846567]","exact_mass":794.429,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":833.3909,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005721906","spectrum_index":6588},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based: Match]","exact_mass":794.429,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":812.4631,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005721907","spectrum_index":6589},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846567]","exact_mass":794.429,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.1949,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005721908","spectrum_index":6590},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846567]","exact_mass":794.429,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":817.4185,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005721909","spectrum_index":6591},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846567]","exact_mass":794.429,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":759.4153,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005721910","spectrum_index":6592},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846567]","exact_mass":794.429,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.436,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005721911","spectrum_index":6593},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169117-02!3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid [IIN-based on: CCMSLIB00000846783]","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-RFOFMGPBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.1622,"smiles":"C[C@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005721912","spectrum_index":6594},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169117-02!3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid [IIN-based on: CCMSLIB00000846783]","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-RFOFMGPBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.1696,"smiles":"C[C@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005721913","spectrum_index":6595},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169117-02!3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid [IIN-based: Match]","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-RFOFMGPBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.1802,"smiles":"C[C@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005721914","spectrum_index":6596},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane [IIN-based on: CCMSLIB00000846227]","exact_mass":432.214,"inchikey":"ZPINJJOPURFFNV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.2221,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C(OC)=C3","spectrum_id":"CCMSLIB00005721915","spectrum_index":6597},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane [IIN-based on: CCMSLIB00000846227]","exact_mass":432.214,"inchikey":"ZPINJJOPURFFNV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":887.4177,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C(OC)=C3","spectrum_id":"CCMSLIB00005721916","spectrum_index":6598},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane [IIN-based: Match]","exact_mass":432.214,"inchikey":"ZPINJJOPURFFNV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.211,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C(OC)=C3","spectrum_id":"CCMSLIB00005721917","spectrum_index":6599},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane [IIN-based on: CCMSLIB00000846227]","exact_mass":432.214,"inchikey":"ZPINJJOPURFFNV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.2036,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C(OC)=C3","spectrum_id":"CCMSLIB00005721918","spectrum_index":6600},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179941-03!3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one [IIN-based: Match]","exact_mass":346.142,"inchikey":"MQEOTHTYNCMSAN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.1487,"smiles":"COC1=CC(OC)=C(C(=O)CCC2=CC(OC)=C(OC)C=C2)C(O)=C1","spectrum_id":"CCMSLIB00005721920","spectrum_index":6601},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380135-01!(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione [IIN-based: Match]","exact_mass":280.131,"inchikey":"IRPFOXRBPHCCTG-CZLFTNFUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.1648,"smiles":"C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(C)(O)[C@@]13CCC(=O)O3","spectrum_id":"CCMSLIB00005721921","spectrum_index":6602},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247516-02! [IIN-based on: CCMSLIB00000847893]","exact_mass":432.215,"inchikey":"YEFOAORQXAOVJQ-RZFZLAGVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.204,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(OC)C(OC)=C(OC)C=C3C[C@H](C)[C@@](C)(O)C2","spectrum_id":"CCMSLIB00005721923","spectrum_index":6603},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247516-02! [IIN-based on: CCMSLIB00000847893]","exact_mass":432.215,"inchikey":"YEFOAORQXAOVJQ-RZFZLAGVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.2114,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(OC)C(OC)=C(OC)C=C3C[C@H](C)[C@@](C)(O)C2","spectrum_id":"CCMSLIB00005721924","spectrum_index":6604},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247516-02! [IIN-based on: CCMSLIB00000847893]","exact_mass":432.215,"inchikey":"YEFOAORQXAOVJQ-RZFZLAGVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":887.4183,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(OC)C(OC)=C(OC)C=C3C[C@H](C)[C@@](C)(O)C2","spectrum_id":"CCMSLIB00005721925","spectrum_index":6605},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247516-02! [IIN-based on: CCMSLIB00000847893]","exact_mass":432.215,"inchikey":"YEFOAORQXAOVJQ-RZFZLAGVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.1778,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(OC)C(OC)=C(OC)C=C3C[C@H](C)[C@@](C)(O)C2","spectrum_id":"CCMSLIB00005721926","spectrum_index":6606},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00247516-02! [IIN-based: Match]","exact_mass":432.215,"inchikey":"YEFOAORQXAOVJQ-RZFZLAGVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.2221,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(OC)C(OC)=C(OC)C=C3C[C@H](C)[C@@](C)(O)C2","spectrum_id":"CCMSLIB00005721927","spectrum_index":6607},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347365-02!5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based: Match]","exact_mass":312.136,"inchikey":"WYMMNGQSPNWCIK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.1436,"smiles":"CC(C)(C=C)C1=C2OC(C)(C)C=CC2=C(O)C3=C1OC(=O)C=C3","spectrum_id":"CCMSLIB00005721928","spectrum_index":6608},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347365-02!5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000846817]","exact_mass":312.136,"inchikey":"WYMMNGQSPNWCIK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":647.261,"smiles":"CC(C)(C=C)C1=C2OC(C)(C)C=CC2=C(O)C3=C1OC(=O)C=C3","spectrum_id":"CCMSLIB00005721929","spectrum_index":6609},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384938-01!4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[g][1]benzofuran-6,9-dione [IIN-based on: CCMSLIB00000849091]","exact_mass":370.178,"inchikey":"GDSPWZDWUUGKIM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":763.3448,"smiles":"COC1=C(C)C(=O)C2=C(C=C(O)C3=C2OC(C)C3(C)CCC=C(C)C)C1=O","spectrum_id":"CCMSLIB00005721932","spectrum_index":6610},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384938-01!4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[g][1]benzofuran-6,9-dione [IIN-based: Match]","exact_mass":370.178,"inchikey":"GDSPWZDWUUGKIM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.1855,"smiles":"COC1=C(C)C(=O)C2=C(C=C(O)C3=C2OC(C)C3(C)CCC=C(C)C)C1=O","spectrum_id":"CCMSLIB00005721933","spectrum_index":6611},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384938-01!4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[g][1]benzofuran-6,9-dione [IIN-based on: CCMSLIB00000849091]","exact_mass":370.178,"inchikey":"GDSPWZDWUUGKIM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.1677,"smiles":"COC1=C(C)C(=O)C2=C(C=C(O)C3=C2OC(C)C3(C)CCC=C(C)C)C1=O","spectrum_id":"CCMSLIB00005721934","spectrum_index":6612},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347752-02![2-(3'-ethenyl-3',5-dimethyl-2,4,5'-trioxospiro[chromene-3,2'-cyclopentane]-1'-yl)-3-hydroxypropyl] acetate [IIN-based: Match]","exact_mass":400.152,"inchikey":"SUDVQVUJMZQNHR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.1596,"smiles":"CC(=O)OCC(CO)C1C(=O)CC(C)(C=C)C12C(=O)OC3=CC=CC(C)=C3C2=O","spectrum_id":"CCMSLIB00005721935","spectrum_index":6613},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347752-02![2-(3'-ethenyl-3',5-dimethyl-2,4,5'-trioxospiro[chromene-3,2'-cyclopentane]-1'-yl)-3-hydroxypropyl] acetate [IIN-based on: CCMSLIB00000846472]","exact_mass":400.152,"inchikey":"SUDVQVUJMZQNHR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.1412,"smiles":"CC(=O)OCC(CO)C1C(=O)CC(C)(C=C)C12C(=O)OC3=CC=CC(C)=C3C2=O","spectrum_id":"CCMSLIB00005721936","spectrum_index":6614},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347752-02![2-(3'-ethenyl-3',5-dimethyl-2,4,5'-trioxospiro[chromene-3,2'-cyclopentane]-1'-yl)-3-hydroxypropyl] acetate [IIN-based on: CCMSLIB00000846472]","exact_mass":400.152,"inchikey":"SUDVQVUJMZQNHR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":823.2929,"smiles":"CC(=O)OCC(CO)C1C(=O)CC(C)(C=C)C12C(=O)OC3=CC=CC(C)=C3C2=O","spectrum_id":"CCMSLIB00005721937","spectrum_index":6615},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347752-02![2-(3'-ethenyl-3',5-dimethyl-2,4,5'-trioxospiro[chromene-3,2'-cyclopentane]-1'-yl)-3-hydroxypropyl] acetate [IIN-based on: CCMSLIB00000846472]","exact_mass":400.152,"inchikey":"SUDVQVUJMZQNHR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.1153,"smiles":"CC(=O)OCC(CO)C1C(=O)CC(C)(C=C)C12C(=O)OC3=CC=CC(C)=C3C2=O","spectrum_id":"CCMSLIB00005721938","spectrum_index":6616},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00025125-21!N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide [IIN-based: Match]","exact_mass":399.168,"inchikey":"IAKHMKGGTNLKSZ-INIZCTEOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.1758,"smiles":"COC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1","spectrum_id":"CCMSLIB00005721939","spectrum_index":6617},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00025125-21!N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide [IIN-based on: CCMSLIB00000845970]","exact_mass":399.168,"inchikey":"IAKHMKGGTNLKSZ-INIZCTEOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":422.1576,"smiles":"COC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1","spectrum_id":"CCMSLIB00005721940","spectrum_index":6618},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00025125-21!N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide [IIN-based on: CCMSLIB00000845970]","exact_mass":399.168,"inchikey":"IAKHMKGGTNLKSZ-INIZCTEOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":821.3253,"smiles":"COC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1","spectrum_id":"CCMSLIB00005721941","spectrum_index":6619},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180305-02! [IIN-based: Match]","exact_mass":410.137,"inchikey":"JFVKWCYZKMUTLH-GRWTVWFQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.144,"smiles":"COC1=C(OC)C=C2C(OC[C@@H]3OC4=C(C=CC5=C4C[C@H](O5)C(C)=C)C(=O)[C@]23O)=C1","spectrum_id":"CCMSLIB00005721942","spectrum_index":6620},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180305-02! [IIN-based on: CCMSLIB00000847887]","exact_mass":410.137,"inchikey":"JFVKWCYZKMUTLH-GRWTVWFQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":843.2619,"smiles":"COC1=C(OC)C=C2C(OC[C@@H]3OC4=C(C=CC5=C4C[C@H](O5)C(C)=C)C(=O)[C@]23O)=C1","spectrum_id":"CCMSLIB00005721943","spectrum_index":6621},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385521-01![1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate [IIN-based: Match]","exact_mass":316.131,"inchikey":"MHJLKHNHGMUAPQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.128,"smiles":"COC1=CC=C(C=C1)C(O)C(C)OC(=O)C2=CC=C(OC)C=C2","spectrum_id":"CCMSLIB00005721944","spectrum_index":6622},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385521-01![1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate [IIN-based on: CCMSLIB00000846469]","exact_mass":316.131,"inchikey":"MHJLKHNHGMUAPQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.121,"smiles":"COC1=CC=C(C=C1)C(O)C(C)OC(=O)C2=CC=C(OC)C=C2","spectrum_id":"CCMSLIB00005721945","spectrum_index":6623},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385521-01![1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate [IIN-based on: CCMSLIB00000846469]","exact_mass":316.131,"inchikey":"MHJLKHNHGMUAPQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":655.2516,"smiles":"COC1=CC=C(C=C1)C(O)C(C)OC(=O)C2=CC=C(OC)C=C2","spectrum_id":"CCMSLIB00005721946","spectrum_index":6624},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163663-02! [IIN-based on: CCMSLIB00000847848]","exact_mass":400.189,"inchikey":"RTZKSTLPRTWFEV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":823.3664,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(CC(C)C(C)C2)C=C4OCOC4=C3OC","spectrum_id":"CCMSLIB00005721947","spectrum_index":6625},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163663-02! [IIN-based: Match]","exact_mass":400.189,"inchikey":"RTZKSTLPRTWFEV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.1963,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(CC(C)C(C)C2)C=C4OCOC4=C3OC","spectrum_id":"CCMSLIB00005721948","spectrum_index":6626},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385489-01!3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid [IIN-based on: CCMSLIB00000846465]","exact_mass":268.168,"inchikey":"ZIOCYJNRYIRTQD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.1643,"smiles":"CC(C)C(=O)C1(CCC(C)C(=O)C1)C(C)CC(O)=O","spectrum_id":"CCMSLIB00005721949","spectrum_index":6627},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385489-01!3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid [IIN-based on: CCMSLIB00000846465]","exact_mass":268.168,"inchikey":"ZIOCYJNRYIRTQD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.1569,"smiles":"CC(C)C(=O)C1(CCC(C)C(=O)C1)C(C)CC(O)=O","spectrum_id":"CCMSLIB00005721950","spectrum_index":6628},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385489-01!3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid [IIN-based: Match]","exact_mass":268.168,"inchikey":"ZIOCYJNRYIRTQD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.1749,"smiles":"CC(C)C(=O)C1(CCC(C)C(=O)C1)C(C)CC(O)=O","spectrum_id":"CCMSLIB00005721951","spectrum_index":6629},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384922-01!(2R,3R,4S,5S,6R)-2-octoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol [IIN-based on: CCMSLIB00000849092]","exact_mass":424.231,"inchikey":"IBSNNVHJJNLMJW-BMVMOQKNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.2205,"smiles":"CCCCCCCCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721952","spectrum_index":6630},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384922-01!(2R,3R,4S,5S,6R)-2-octoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol [IIN-based: Match]","exact_mass":424.231,"inchikey":"IBSNNVHJJNLMJW-BMVMOQKNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":442.2651,"smiles":"CCCCCCCCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005721953","spectrum_index":6631},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347752-02![2-(3'-ethenyl-3',5-dimethyl-2,4,5'-trioxospiro[chromene-3,2'-cyclopentane]-1'-yl)-3-hydroxypropyl] acetate [IIN-based on: CCMSLIB00000846473]","exact_mass":400.153,"inchikey":"SUDVQVUJMZQNHR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.1419,"smiles":"CC(=O)OCC(CO)C1C(=O)CC(C)(C=C)C12C(=O)OC3=CC=CC(C)=C3C2=O","spectrum_id":"CCMSLIB00005721954","spectrum_index":6632},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347752-02![2-(3'-ethenyl-3',5-dimethyl-2,4,5'-trioxospiro[chromene-3,2'-cyclopentane]-1'-yl)-3-hydroxypropyl] acetate [IIN-based: Match]","exact_mass":400.153,"inchikey":"SUDVQVUJMZQNHR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.1494,"smiles":"CC(=O)OCC(CO)C1C(=O)CC(C)(C=C)C12C(=O)OC3=CC=CC(C)=C3C2=O","spectrum_id":"CCMSLIB00005721955","spectrum_index":6633},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384828-01! [IIN-based: Match]","exact_mass":509.241,"inchikey":"LNZRIIIDRGIMHV-CBDOUEBYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":510.2485,"smiles":"CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@@]3(C)OC4=C(CC23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00005721956","spectrum_index":6634},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384828-01! [IIN-based on: CCMSLIB00000848970]","exact_mass":509.241,"inchikey":"LNZRIIIDRGIMHV-CBDOUEBYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":532.2305,"smiles":"CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@@]3(C)OC4=C(CC23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00005721958","spectrum_index":6635},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384828-01! [IIN-based on: CCMSLIB00000848970]","exact_mass":509.241,"inchikey":"LNZRIIIDRGIMHV-CBDOUEBYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1041.4715,"smiles":"CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@@]3(C)OC4=C(CC23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00005721959","spectrum_index":6636},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384747-01!9-methoxy-4-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847577]","exact_mass":284.105,"inchikey":"IFAIUWDLBBYPMZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":591.1987,"smiles":"COC1=C2OC(=O)C=CC2=C(C3=C1OC=C3)C(C)(C)C=C","spectrum_id":"CCMSLIB00005721960","spectrum_index":6637},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384747-01!9-methoxy-4-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":284.105,"inchikey":"IFAIUWDLBBYPMZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.1123,"smiles":"COC1=C2OC(=O)C=CC2=C(C3=C1OC=C3)C(C)(C)C=C","spectrum_id":"CCMSLIB00005721961","spectrum_index":6638},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347609-02!9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848055]","exact_mass":318.111,"inchikey":"CRAONLIHLOSKGE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":659.2097,"smiles":"COC1=C2C=COC2=C(CC(O)C(C)(C)O)C3=C1C=CC(=O)O3","spectrum_id":"CCMSLIB00005721963","spectrum_index":6639},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347609-02!9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":318.111,"inchikey":"CRAONLIHLOSKGE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.1072,"smiles":"COC1=C2C=COC2=C(CC(O)C(C)(C)O)C3=C1C=CC(=O)O3","spectrum_id":"CCMSLIB00005721965","spectrum_index":6640},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347609-02!9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848055]","exact_mass":318.111,"inchikey":"CRAONLIHLOSKGE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.0966,"smiles":"COC1=C2C=COC2=C(CC(O)C(C)(C)O)C3=C1C=CC(=O)O3","spectrum_id":"CCMSLIB00005721966","spectrum_index":6641},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384768-01![(9R,10R)-8,8-dimethyl-9-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate [IIN-based: Match]","exact_mass":430.199,"inchikey":"LJYPJWICCCIAKW-DHIUTWEWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":448.2331,"smiles":"CC(C)CC(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005721967","spectrum_index":6642},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384768-01![(9R,10R)-8,8-dimethyl-9-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000847960]","exact_mass":430.199,"inchikey":"LJYPJWICCCIAKW-DHIUTWEWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":883.3868,"smiles":"CC(C)CC(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005721969","spectrum_index":6643},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384768-01![(9R,10R)-8,8-dimethyl-9-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000847960]","exact_mass":430.199,"inchikey":"LJYPJWICCCIAKW-DHIUTWEWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.1893,"smiles":"CC(C)CC(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005721970","spectrum_index":6644},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384742-01!3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzaldehyde [IIN-based on: CCMSLIB00000846397]","exact_mass":360.158,"inchikey":"BOCUVDNZFZFUED-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.147,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(C=O)C=C2)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00005721971","spectrum_index":6645},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384742-01!3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzaldehyde [IIN-based: Match]","exact_mass":360.158,"inchikey":"BOCUVDNZFZFUED-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.1649,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(C=O)C=C2)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00005721972","spectrum_index":6646},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384746-01!6-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one [IIN-based: Match]","exact_mass":346.178,"inchikey":"JMIHHZJRBXJKLS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.1855,"smiles":"COC1=C(CC(O)C(C)(C)O)C=C2C=C(C(=O)OC2=C1)C(C)(C)C=C","spectrum_id":"CCMSLIB00005721973","spectrum_index":6647},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384746-01!6-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one [IIN-based on: CCMSLIB00000846392]","exact_mass":346.178,"inchikey":"JMIHHZJRBXJKLS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":715.3452,"smiles":"COC1=C(CC(O)C(C)(C)O)C=C2C=C(C(=O)OC2=C1)C(C)(C)C=C","spectrum_id":"CCMSLIB00005721974","spectrum_index":6648},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384780-01![(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,2,3a,10,11-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] acetate [IIN-based: Match]","exact_mass":650.257,"inchikey":"OFUTZNNUWRTXHO-RQGSMOOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":668.2907,"smiles":"C[C@@H]1\\\\C=C\\\\C(C)(C)C(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C1=O)OC(C)=O","spectrum_id":"CCMSLIB00005721975","spectrum_index":6649},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384780-01![(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,2,3a,10,11-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] acetate [IIN-based on: CCMSLIB00000847967]","exact_mass":650.257,"inchikey":"OFUTZNNUWRTXHO-RQGSMOOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":689.2196,"smiles":"C[C@@H]1\\\\C=C\\\\C(C)(C)C(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C1=O)OC(C)=O","spectrum_id":"CCMSLIB00005721976","spectrum_index":6650},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384780-01![(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,2,3a,10,11-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] acetate [IIN-based on: CCMSLIB00000847967]","exact_mass":650.257,"inchikey":"OFUTZNNUWRTXHO-RQGSMOOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":673.2463,"smiles":"C[C@@H]1\\\\C=C\\\\C(C)(C)C(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C1=O)OC(C)=O","spectrum_id":"CCMSLIB00005721977","spectrum_index":6651},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00384824-01!methyl 3-hydroxy-2-[[3-hydroxy-2-[[2-[(3-hydroxy-2,4-dimethyltetradecanoyl)amino]-3-methylbutanoyl]amino]butanoyl]amino]propanoate [IIN-based on: CCMSLIB00000848076]","exact_mass":573.399,"inchikey":"AKMKWHBDPUOPSK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":306.6802,"smiles":"CCCCCCCCCCC(C)C(O)C(C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)OC","spectrum_id":"CCMSLIB00005721978","spectrum_index":6652},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384824-01!methyl 3-hydroxy-2-[[3-hydroxy-2-[[2-[(3-hydroxy-2,4-dimethyltetradecanoyl)amino]-3-methylbutanoyl]amino]butanoyl]amino]propanoate [IIN-based on: CCMSLIB00000848076]","exact_mass":573.399,"inchikey":"AKMKWHBDPUOPSK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":556.3954,"smiles":"CCCCCCCCCCC(C)C(O)C(C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)OC","spectrum_id":"CCMSLIB00005721979","spectrum_index":6653},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384824-01!methyl 3-hydroxy-2-[[3-hydroxy-2-[[2-[(3-hydroxy-2,4-dimethyltetradecanoyl)amino]-3-methylbutanoyl]amino]butanoyl]amino]propanoate [IIN-based on: CCMSLIB00000848076]","exact_mass":573.399,"inchikey":"AKMKWHBDPUOPSK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":618.369,"smiles":"CCCCCCCCCCC(C)C(O)C(C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)OC","spectrum_id":"CCMSLIB00005721980","spectrum_index":6654},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384824-01!methyl 3-hydroxy-2-[[3-hydroxy-2-[[2-[(3-hydroxy-2,4-dimethyltetradecanoyl)amino]-3-methylbutanoyl]amino]butanoyl]amino]propanoate [IIN-based on: CCMSLIB00000848076]","exact_mass":573.399,"inchikey":"AKMKWHBDPUOPSK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1169.7854,"smiles":"CCCCCCCCCCC(C)C(O)C(C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)OC","spectrum_id":"CCMSLIB00005721981","spectrum_index":6655},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384824-01!methyl 3-hydroxy-2-[[3-hydroxy-2-[[2-[(3-hydroxy-2,4-dimethyltetradecanoyl)amino]-3-methylbutanoyl]amino]butanoyl]amino]propanoate [IIN-based on: CCMSLIB00000848076]","exact_mass":573.399,"inchikey":"AKMKWHBDPUOPSK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":612.3621,"smiles":"CCCCCCCCCCC(C)C(O)C(C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)OC","spectrum_id":"CCMSLIB00005721982","spectrum_index":6656},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384824-01!methyl 3-hydroxy-2-[[3-hydroxy-2-[[2-[(3-hydroxy-2,4-dimethyltetradecanoyl)amino]-3-methylbutanoyl]amino]butanoyl]amino]propanoate [IIN-based: Match]","exact_mass":573.399,"inchikey":"AKMKWHBDPUOPSK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":574.4066,"smiles":"CCCCCCCCCCC(C)C(O)C(C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)OC","spectrum_id":"CCMSLIB00005721983","spectrum_index":6657},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385245-01!(2E,4E,14E)-15-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pentadeca-2,4,14-trienamide [IIN-based: Match]","exact_mass":411.277,"inchikey":"DRMOIHOBUYFDKF-HMZUNPFJSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":412.2847,"smiles":"CC(C)CNC(=O)\\\\C=C\\\\C=C\\\\CCCCCCCC\\\\C=C\\\\C1=CC2=C(OCO2)C=C1","spectrum_id":"CCMSLIB00005721985","spectrum_index":6658},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384737-01!1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one [IIN-based on: CCMSLIB00000845152]","exact_mass":356.162,"inchikey":"VOKBRPPPSPIUIB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.1517,"smiles":"COC1=CC(CC=C)=CC(C(C)C(=O)C2=CC(OC)=C(OC)C=C2)=C1O","spectrum_id":"CCMSLIB00005721986","spectrum_index":6659},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384737-01!1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one [IIN-based on: CCMSLIB00000845152]","exact_mass":356.162,"inchikey":"VOKBRPPPSPIUIB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.1592,"smiles":"COC1=CC(CC=C)=CC(C(C)C(=O)C2=CC(OC)=C(OC)C=C2)=C1O","spectrum_id":"CCMSLIB00005721987","spectrum_index":6660},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384737-01!1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one [IIN-based on: CCMSLIB00000845152]","exact_mass":356.162,"inchikey":"VOKBRPPPSPIUIB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":735.3138,"smiles":"COC1=CC(CC=C)=CC(C(C)C(=O)C2=CC(OC)=C(OC)C=C2)=C1O","spectrum_id":"CCMSLIB00005721988","spectrum_index":6661},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384737-01!1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one [IIN-based: Match]","exact_mass":356.162,"inchikey":"VOKBRPPPSPIUIB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.1695,"smiles":"COC1=CC(CC=C)=CC(C(C)C(=O)C2=CC(OC)=C(OC)C=C2)=C1O","spectrum_id":"CCMSLIB00005721989","spectrum_index":6662},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347790-02!2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid [IIN-based on: CCMSLIB00000848867]","exact_mass":709.44,"inchikey":"IOMBMOCSWVAYQU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":674.4268,"smiles":"CC(O)(CC(=O)NCC(O)=O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C4(C)C(CCC34C)C(CO)CCC(O)C(C)(C)O)C1(C)C","spectrum_id":"CCMSLIB00005721990","spectrum_index":6663},{"adduct":"[M-3H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347790-02!2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid [IIN-based on: CCMSLIB00000848867]","exact_mass":709.44,"inchikey":"IOMBMOCSWVAYQU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":656.416,"smiles":"CC(O)(CC(=O)NCC(O)=O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C4(C)C(CCC34C)C(CO)CCC(O)C(C)(C)O)C1(C)C","spectrum_id":"CCMSLIB00005721991","spectrum_index":6664},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347790-02!2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid [IIN-based on: CCMSLIB00000848867]","exact_mass":709.44,"inchikey":"IOMBMOCSWVAYQU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":692.4371,"smiles":"CC(O)(CC(=O)NCC(O)=O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C4(C)C(CCC34C)C(CO)CCC(O)C(C)(C)O)C1(C)C","spectrum_id":"CCMSLIB00005721992","spectrum_index":6665},{"adduct":"[M-3H2O+2H]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00347790-02!2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid [IIN-based on: CCMSLIB00000848867]","exact_mass":709.44,"inchikey":"IOMBMOCSWVAYQU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":328.7117,"smiles":"CC(O)(CC(=O)NCC(O)=O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C4(C)C(CCC34C)C(CO)CCC(O)C(C)(C)O)C1(C)C","spectrum_id":"CCMSLIB00005721993","spectrum_index":6666},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347790-02!2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid [IIN-based on: CCMSLIB00000848867]","exact_mass":709.44,"inchikey":"IOMBMOCSWVAYQU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":732.4297,"smiles":"CC(O)(CC(=O)NCC(O)=O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C4(C)C(CCC34C)C(CO)CCC(O)C(C)(C)O)C1(C)C","spectrum_id":"CCMSLIB00005721994","spectrum_index":6667},{"adduct":"[M-2H2O+2H]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00347790-02!2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid [IIN-based on: CCMSLIB00000848867]","exact_mass":709.44,"inchikey":"IOMBMOCSWVAYQU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.7171,"smiles":"CC(O)(CC(=O)NCC(O)=O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C4(C)C(CCC34C)C(CO)CCC(O)C(C)(C)O)C1(C)C","spectrum_id":"CCMSLIB00005721995","spectrum_index":6668},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347790-02!2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid [IIN-based: Match]","exact_mass":709.44,"inchikey":"IOMBMOCSWVAYQU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":710.4477,"smiles":"CC(O)(CC(=O)NCC(O)=O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C4(C)C(CCC34C)C(CO)CCC(O)C(C)(C)O)C1(C)C","spectrum_id":"CCMSLIB00005721997","spectrum_index":6669},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384712-01!9-[(E)-3-hydroxy-3-methylbut-1-enyl]furo[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":270.089,"inchikey":"YCWBXVBPBPUAQF-FNORWQNLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.0861,"smiles":"CC(C)(O)\\\\C=C\\\\C1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005721998","spectrum_index":6670},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384712-01!9-[(E)-3-hydroxy-3-methylbut-1-enyl]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848050]","exact_mass":270.089,"inchikey":"YCWBXVBPBPUAQF-FNORWQNLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.0786,"smiles":"CC(C)(O)\\\\C=C\\\\C1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005721999","spectrum_index":6671},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347679-02!5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one [IIN-based on: CCMSLIB00000846396]","exact_mass":350.129,"inchikey":"ZFOBGKZKFOAYTR-ZYUHXDNHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.1252,"smiles":"CCC(C)\\\\C=C(C)\\\\C=C\\\\C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2=CO1","spectrum_id":"CCMSLIB00005722001","spectrum_index":6672},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347679-02!5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one [IIN-based: Match]","exact_mass":350.129,"inchikey":"ZFOBGKZKFOAYTR-ZYUHXDNHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.1364,"smiles":"CCC(C)\\\\C=C(C)\\\\C=C\\\\C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2=CO1","spectrum_id":"CCMSLIB00005722002","spectrum_index":6673},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347521-02!3,6,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000848965]","exact_mass":338.079,"inchikey":"JJOLHRYZQSDLSA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.0755,"smiles":"CC1(O)CC(=O)C2=C(C1)C=C(O)C3=C2C(=O)C4=CC=CC(O)=C4C3=O","spectrum_id":"CCMSLIB00005722004","spectrum_index":6674},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347521-02!3,6,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based: Match]","exact_mass":338.079,"inchikey":"JJOLHRYZQSDLSA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.0866,"smiles":"CC1(O)CC(=O)C2=C(C1)C=C(O)C3=C2C(=O)C4=CC=CC(O)=C4C3=O","spectrum_id":"CCMSLIB00005722005","spectrum_index":6675},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384803-01!2,4-dihydroxy-3-[(E)-4-hydroxy-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)pent-2-enyl]-6-methylbenzaldehyde [IIN-based on: CCMSLIB00000848070]","exact_mass":388.225,"inchikey":"BQAWIDAQBDWCGH-AWNIVKPZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.2147,"smiles":"CC1CCC(=O)C(C)C1(C)CC(O)C(\\\\C)=C\\\\CC2=C(O)C(C=O)=C(C)C=C2O","spectrum_id":"CCMSLIB00005722007","spectrum_index":6676},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384803-01!2,4-dihydroxy-3-[(E)-4-hydroxy-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)pent-2-enyl]-6-methylbenzaldehyde [IIN-based: Match]","exact_mass":388.225,"inchikey":"BQAWIDAQBDWCGH-AWNIVKPZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.2221,"smiles":"CC1CCC(=O)C(C)C1(C)CC(O)C(\\\\C)=C\\\\CC2=C(O)C(C=O)=C(C)C=C2O","spectrum_id":"CCMSLIB00005722008","spectrum_index":6677},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384803-01!2,4-dihydroxy-3-[(E)-4-hydroxy-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)pent-2-enyl]-6-methylbenzaldehyde [IIN-based on: CCMSLIB00000848070]","exact_mass":388.225,"inchikey":"BQAWIDAQBDWCGH-AWNIVKPZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.2113,"smiles":"CC1CCC(=O)C(C)C1(C)CC(O)C(\\\\C)=C\\\\CC2=C(O)C(C=O)=C(C)C=C2O","spectrum_id":"CCMSLIB00005722009","spectrum_index":6678},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384809-01!5-[5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid [IIN-based on: CCMSLIB00000847958]","exact_mass":354.241,"inchikey":"VOCJFEUCJDTXSA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.2376,"smiles":"CC1CCC2(CO)C(CCC=C2C(O)=O)C1(C)CCC(CO)CCO","spectrum_id":"CCMSLIB00005722010","spectrum_index":6679},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384809-01!5-[5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid [IIN-based on: CCMSLIB00000847958]","exact_mass":354.241,"inchikey":"VOCJFEUCJDTXSA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":709.4886,"smiles":"CC1CCC2(CO)C(CCC=C2C(O)=O)C1(C)CCC(CO)CCO","spectrum_id":"CCMSLIB00005722011","spectrum_index":6680},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384809-01!5-[5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid [IIN-based: Match]","exact_mass":354.241,"inchikey":"VOCJFEUCJDTXSA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.2483,"smiles":"CC1CCC2(CO)C(CCC=C2C(O)=O)C1(C)CCC(CO)CCO","spectrum_id":"CCMSLIB00005722012","spectrum_index":6681},{"adduct":"[M-4H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384809-01!5-[5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid [IIN-based on: CCMSLIB00000847958]","exact_mass":354.241,"inchikey":"VOCJFEUCJDTXSA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.2059,"smiles":"CC1CCC2(CO)C(CCC=C2C(O)=O)C1(C)CCC(CO)CCO","spectrum_id":"CCMSLIB00005722013","spectrum_index":6682},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384809-01!5-[5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid [IIN-based on: CCMSLIB00000847958]","exact_mass":354.241,"inchikey":"VOCJFEUCJDTXSA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.2272,"smiles":"CC1CCC2(CO)C(CCC=C2C(O)=O)C1(C)CCC(CO)CCO","spectrum_id":"CCMSLIB00005722014","spectrum_index":6683},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00384809-01!5-[5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid [IIN-based on: CCMSLIB00000847958]","exact_mass":354.241,"inchikey":"VOCJFEUCJDTXSA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.2215,"smiles":"CC1CCC2(CO)C(CCC=C2C(O)=O)C1(C)CCC(CO)CCO","spectrum_id":"CCMSLIB00005722015","spectrum_index":6684},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384702-01!(2Z,6E,10E)-12-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid [IIN-based: Match]","exact_mass":320.235,"inchikey":"USXGDFAHMRCBBX-AGZUIYMTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.2322,"smiles":"CC(C)=CCC\\\\C(=C\\\\CC\\\\C(C)=C\\\\CC\\\\C(C)=C\\\\CO)C(O)=O","spectrum_id":"CCMSLIB00005722017","spectrum_index":6685},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384702-01!(2Z,6E,10E)-12-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid [IIN-based on: CCMSLIB00000846288]","exact_mass":320.235,"inchikey":"USXGDFAHMRCBBX-AGZUIYMTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.2214,"smiles":"CC(C)=CCC\\\\C(=C\\\\CC\\\\C(C)=C\\\\CC\\\\C(C)=C\\\\CO)C(O)=O","spectrum_id":"CCMSLIB00005722018","spectrum_index":6686},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095569-05!4,9-dimethoxyfuro[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":246.053,"inchikey":"DFMAXQKDIGCMTL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.0603,"smiles":"COC1=C2OC(=O)C=CC2=C(OC)C3=C1OC=C3","spectrum_id":"CCMSLIB00005722019","spectrum_index":6687},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095569-05!4,9-dimethoxyfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847638]","exact_mass":246.053,"inchikey":"DFMAXQKDIGCMTL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.0421,"smiles":"COC1=C2OC(=O)C=CC2=C(OC)C3=C1OC=C3","spectrum_id":"CCMSLIB00005722020","spectrum_index":6688},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380806-01!6-(diaminomethylideneamino)-2-[[(4E,6E,12E,14E)-3-hydroxy-2-(hydroxymethyl)-8,10,16-trimethyloctadeca-4,6,12,14-tetraenoyl]amino]hexanoic acid [IIN-based on: CCMSLIB00000847271]","exact_mass":534.378,"inchikey":"QOXHBQOXXZSKON-MBGQFZTNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.375,"smiles":"CCC(C)\\\\C=C\\\\C=C\\\\CC(C)CC(C)\\\\C=C\\\\C=C\\\\C(O)C(CO)C(=O)NC(CCCCNC(N)=N)C(O)=O","spectrum_id":"CCMSLIB00005722022","spectrum_index":6689},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380806-01!6-(diaminomethylideneamino)-2-[[(4E,6E,12E,14E)-3-hydroxy-2-(hydroxymethyl)-8,10,16-trimethyloctadeca-4,6,12,14-tetraenoyl]amino]hexanoic acid [IIN-based: Match]","exact_mass":534.378,"inchikey":"QOXHBQOXXZSKON-MBGQFZTNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.3856,"smiles":"CCC(C)\\\\C=C\\\\C=C\\\\CC(C)CC(C)\\\\C=C\\\\C=C\\\\C(O)C(CO)C(=O)NC(CCCCNC(N)=N)C(O)=O","spectrum_id":"CCMSLIB00005722023","spectrum_index":6690},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380806-01!6-(diaminomethylideneamino)-2-[[(4E,6E,12E,14E)-3-hydroxy-2-(hydroxymethyl)-8,10,16-trimethyloctadeca-4,6,12,14-tetraenoyl]amino]hexanoic acid [IIN-based on: CCMSLIB00000847271]","exact_mass":534.378,"inchikey":"QOXHBQOXXZSKON-MBGQFZTNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":557.367,"smiles":"CCC(C)\\\\C=C\\\\C=C\\\\CC(C)CC(C)\\\\C=C\\\\C=C\\\\C(O)C(CO)C(=O)NC(CCCCNC(N)=N)C(O)=O","spectrum_id":"CCMSLIB00005722024","spectrum_index":6691},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380809-01!(6aS)-1,2,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10-ol [IIN-based: Match]","exact_mass":341.163,"inchikey":"KJAVJETZYFENNG-ZDUSSCGKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":342.1702,"smiles":"COC1=C(OC)C2=C3[C@H](CC4=C2C(OC)=C(O)C=C4)N(C)CCC3=C1","spectrum_id":"CCMSLIB00005722025","spectrum_index":6692},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380809-01!(6aS)-1,2,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10-ol [IIN-based on: CCMSLIB00000845813]","exact_mass":341.163,"inchikey":"KJAVJETZYFENNG-ZDUSSCGKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":705.3144,"smiles":"COC1=C(OC)C2=C3[C@H](CC4=C2C(OC)=C(O)C=C4)N(C)CCC3=C1","spectrum_id":"CCMSLIB00005722027","spectrum_index":6693},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380758-01!(2S,3R,10R,13R,14S)-17-[(2R,3R,5S)-2,3-dihydroxy-5,6-dimethylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based on: CCMSLIB00000848325]","exact_mass":478.329,"inchikey":"KQBCIGPPRFLKLS-VVHPDZBTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.2916,"smiles":"CC(C)[C@@H](C)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00005722028","spectrum_index":6694},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380758-01!(2S,3R,10R,13R,14S)-17-[(2R,3R,5S)-2,3-dihydroxy-5,6-dimethylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based on: CCMSLIB00000848325]","exact_mass":478.329,"inchikey":"KQBCIGPPRFLKLS-VVHPDZBTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":979.6477,"smiles":"CC(C)[C@@H](C)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00005722029","spectrum_index":6695},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380758-01!(2S,3R,10R,13R,14S)-17-[(2R,3R,5S)-2,3-dihydroxy-5,6-dimethylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based on: CCMSLIB00000848325]","exact_mass":478.329,"inchikey":"KQBCIGPPRFLKLS-VVHPDZBTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.3263,"smiles":"CC(C)[C@@H](C)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00005722030","spectrum_index":6696},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380758-01!(2S,3R,10R,13R,14S)-17-[(2R,3R,5S)-2,3-dihydroxy-5,6-dimethylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based: Match]","exact_mass":478.329,"inchikey":"KQBCIGPPRFLKLS-VVHPDZBTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":479.337,"smiles":"CC(C)[C@@H](C)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00005722031","spectrum_index":6697},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380758-01!(2S,3R,10R,13R,14S)-17-[(2R,3R,5S)-2,3-dihydroxy-5,6-dimethylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based on: CCMSLIB00000848325]","exact_mass":478.329,"inchikey":"KQBCIGPPRFLKLS-VVHPDZBTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.3156,"smiles":"CC(C)[C@@H](C)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00005722033","spectrum_index":6698},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based on: CCMSLIB00000847643]","exact_mass":342.204,"inchikey":"QFZISQBFEIXWDM-UTLPMFLDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.2114,"smiles":"CC(CCCCC(O)C(CO)C(O)=O)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722034","spectrum_index":6699},{"adduct":"[M-4H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based on: CCMSLIB00000847643]","exact_mass":342.204,"inchikey":"QFZISQBFEIXWDM-UTLPMFLDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.1691,"smiles":"CC(CCCCC(O)C(CO)C(O)=O)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722035","spectrum_index":6700},{"adduct":"[M-5H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based on: CCMSLIB00000847643]","exact_mass":342.204,"inchikey":"QFZISQBFEIXWDM-UTLPMFLDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.1588,"smiles":"CC(CCCCC(O)C(CO)C(O)=O)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722036","spectrum_index":6701},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based on: CCMSLIB00000847643]","exact_mass":342.204,"inchikey":"QFZISQBFEIXWDM-UTLPMFLDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.1936,"smiles":"CC(CCCCC(O)C(CO)C(O)=O)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722037","spectrum_index":6702},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based: Match]","exact_mass":342.204,"inchikey":"QFZISQBFEIXWDM-UTLPMFLDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.2011,"smiles":"CC(CCCCC(O)C(CO)C(O)=O)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722038","spectrum_index":6703},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based on: CCMSLIB00000847643]","exact_mass":342.204,"inchikey":"QFZISQBFEIXWDM-UTLPMFLDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.1902,"smiles":"CC(CCCCC(O)C(CO)C(O)=O)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722039","spectrum_index":6704},{"adduct":"[2M-H+Ca]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based on: CCMSLIB00000847643]","exact_mass":342.204,"inchikey":"QFZISQBFEIXWDM-UTLPMFLDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":723.3619,"smiles":"CC(CCCCC(O)C(CO)C(O)=O)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722040","spectrum_index":6705},{"adduct":"[M-3H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based on: CCMSLIB00000847643]","exact_mass":342.204,"inchikey":"QFZISQBFEIXWDM-UTLPMFLDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.1798,"smiles":"CC(CCCCC(O)C(CO)C(O)=O)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722041","spectrum_index":6706},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180806-02!9-[[3-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)methyl]oxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":382.105,"inchikey":"CISFAPDYRQPRCZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.1128,"smiles":"CC1=CC(CC2(C)OC2COC3=C4OC(=O)C=CC4=CC5=C3OC=C5)OC1=O","spectrum_id":"CCMSLIB00005722042","spectrum_index":6707},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180806-02!9-[[3-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)methyl]oxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848322]","exact_mass":382.105,"inchikey":"CISFAPDYRQPRCZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.0949,"smiles":"CC1=CC(CC2(C)OC2COC3=C4OC(=O)C=CC4=CC5=C3OC=C5)OC1=O","spectrum_id":"CCMSLIB00005722043","spectrum_index":6708},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180673-03!1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone [IIN-based on: CCMSLIB00000846839]","exact_mass":600.348,"inchikey":"NHKCCADZVLTPPO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":623.3372,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00005722044","spectrum_index":6709},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180673-03!1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone [IIN-based: Match]","exact_mass":600.348,"inchikey":"NHKCCADZVLTPPO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":601.3547,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00005722045","spectrum_index":6710},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00180673-03!1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone [IIN-based on: CCMSLIB00000846839]","exact_mass":600.348,"inchikey":"NHKCCADZVLTPPO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.1548,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00005722046","spectrum_index":6711},{"adduct":"[M+Ca-H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180673-03!1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone [IIN-based on: CCMSLIB00000846839]","exact_mass":600.348,"inchikey":"NHKCCADZVLTPPO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":639.3046,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00005722047","spectrum_index":6712},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380810-01! [IIN-based: Match]","exact_mass":519.226,"inchikey":"GADSICAILMLRQB-GVRUMSNVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":520.2328,"smiles":"CC(=C)[C@]1(O)CC[C@]2(C)[C@H](CC=C(C)[C@]23OC4=C([C@@H]3O)C(=O)OC(=C4)C5=CN=CC=C5)[C@@]16CCC(=O)OC6","spectrum_id":"CCMSLIB00005722049","spectrum_index":6713},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169275-02!5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one [IIN-based on: CCMSLIB00000846833]","exact_mass":384.134,"inchikey":"BRELKNNWUMEGDN-VOTSOKGWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.1233,"smiles":"CCC(C)C(O)C(C)(O)\\\\C=C\\\\C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2=CO1","spectrum_id":"CCMSLIB00005722050","spectrum_index":6714},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169275-02!5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one [IIN-based: Match]","exact_mass":384.134,"inchikey":"BRELKNNWUMEGDN-VOTSOKGWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.1416,"smiles":"CCC(C)C(O)C(C)(O)\\\\C=C\\\\C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2=CO1","spectrum_id":"CCMSLIB00005722052","spectrum_index":6715},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169275-02!5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one [IIN-based on: CCMSLIB00000846833]","exact_mass":384.134,"inchikey":"BRELKNNWUMEGDN-VOTSOKGWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":791.2571,"smiles":"CCC(C)C(O)C(C)(O)\\\\C=C\\\\C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2=CO1","spectrum_id":"CCMSLIB00005722053","spectrum_index":6716},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170012-03!5-hydroxy-3-[(2S,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-yl]oxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one [IIN-based: Match]","exact_mass":578.163,"inchikey":"TXCAFRVNHJUDMI-AOHWRSHGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.1706,"smiles":"COC1=CC2=C(C(=O)C(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(O2)C5=CC=C(O)C=C5)C(O)=C1","spectrum_id":"CCMSLIB00005722054","spectrum_index":6717},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170012-03!5-hydroxy-3-[(2S,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-yl]oxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one [IIN-based on: CCMSLIB00000847646]","exact_mass":578.163,"inchikey":"TXCAFRVNHJUDMI-AOHWRSHGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":601.1525,"smiles":"COC1=CC2=C(C(=O)C(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(O2)C5=CC=C(O)C=C5)C(O)=C1","spectrum_id":"CCMSLIB00005722055","spectrum_index":6718},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00170012-03!5-hydroxy-3-[(2S,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-yl]oxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one [IIN-based on: CCMSLIB00000847646]","exact_mass":578.163,"inchikey":"TXCAFRVNHJUDMI-AOHWRSHGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.0623,"smiles":"COC1=CC2=C(C(=O)C(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(O2)C5=CC=C(O)C=C5)C(O)=C1","spectrum_id":"CCMSLIB00005722056","spectrum_index":6719},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347560-02![3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3-acetamido-6-[[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate [IIN-based on: CCMSLIB00000848025]","exact_mass":1085.58,"inchikey":"NFMZRMNYRASNPY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1108.5663,"smiles":"CC(=O)NC1C(O)C(O)C(COC2OCC(O)C(O)C2OC3OCC(O)C(O)C3O)OC1OC4CCC5(C)C(CCC6(C)C5CC=C7C8CC(C)(C)CCC8(CCC67C)C(=O)OC9OC(CO)C(O)C(O)C9O)C4(C)C","spectrum_id":"CCMSLIB00005722057","spectrum_index":6720},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347560-02![3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3-acetamido-6-[[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate [IIN-based: Match]","exact_mass":1085.58,"inchikey":"NFMZRMNYRASNPY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1086.5844,"smiles":"CC(=O)NC1C(O)C(O)C(COC2OCC(O)C(O)C2OC3OCC(O)C(O)C3O)OC1OC4CCC5(C)C(CCC6(C)C5CC=C7C8CC(C)(C)CCC8(CCC67C)C(=O)OC9OC(CO)C(O)C(O)C9O)C4(C)C","spectrum_id":"CCMSLIB00005722058","spectrum_index":6721},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00347560-02![3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3-acetamido-6-[[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate [IIN-based on: CCMSLIB00000848025]","exact_mass":1085.58,"inchikey":"NFMZRMNYRASNPY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":562.7695,"smiles":"CC(=O)NC1C(O)C(O)C(COC2OCC(O)C(O)C2OC3OCC(O)C(O)C3O)OC1OC4CCC5(C)C(CCC6(C)C5CC=C7C8CC(C)(C)CCC8(CCC67C)C(=O)OC9OC(CO)C(O)C(O)C9O)C4(C)C","spectrum_id":"CCMSLIB00005722059","spectrum_index":6722},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380848-01!(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol [IIN-based on: CCMSLIB00000847650]","exact_mass":1052.54,"inchikey":"MERWGCAXAUTKAC-JOGZPFRESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":546.2509,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4C[C@@H](C)[C@](C)(CC[C@](C)(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C=C)[C@H]7CCC=C(C)[C@]47C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005722060","spectrum_index":6723},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380848-01!(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol [IIN-based on: CCMSLIB00000847650]","exact_mass":1052.54,"inchikey":"MERWGCAXAUTKAC-JOGZPFRESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1075.5293,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4C[C@@H](C)[C@](C)(CC[C@](C)(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C=C)[C@H]7CCC=C(C)[C@]47C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005722061","spectrum_index":6724},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380848-01!(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol [IIN-based: Match]","exact_mass":1052.54,"inchikey":"MERWGCAXAUTKAC-JOGZPFRESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1070.5741,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4C[C@@H](C)[C@](C)(CC[C@](C)(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C=C)[C@H]7CCC=C(C)[C@]47C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005722062","spectrum_index":6725},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347585-02!(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate [IIN-based: Match]","exact_mass":382.236,"inchikey":"GFMGOVRWOOAPMN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.2324,"smiles":"CCCCCC(=O)OC1C=C2COC(O)C2(O)C3(C)C(O)CCC(C)(C)C13","spectrum_id":"CCMSLIB00005722063","spectrum_index":6726},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00179693-03![(1S,4aS,6S,7R,7aS)-4-methoxycarbonyl-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl] (1S,4aS,6S,7R,7aS)-6-acetyloxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate [IIN-based on: CCMSLIB00000848327]","exact_mass":790.29,"inchikey":"YDHSGSSEZHFAJJ-YRJFMNGISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.1258,"smiles":"COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@H](C[C@H]13)OC(=O)C4=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]6[C@@H](C)[C@H](C[C@H]46)OC(C)=O","spectrum_id":"CCMSLIB00005722065","spectrum_index":6727},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179693-03![(1S,4aS,6S,7R,7aS)-4-methoxycarbonyl-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl] (1S,4aS,6S,7R,7aS)-6-acetyloxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate [IIN-based on: CCMSLIB00000848327]","exact_mass":790.29,"inchikey":"YDHSGSSEZHFAJJ-YRJFMNGISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":813.2789,"smiles":"COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@H](C[C@H]13)OC(=O)C4=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]6[C@@H](C)[C@H](C[C@H]46)OC(C)=O","spectrum_id":"CCMSLIB00005722066","spectrum_index":6728},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179693-03![(1S,4aS,6S,7R,7aS)-4-methoxycarbonyl-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl] (1S,4aS,6S,7R,7aS)-6-acetyloxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate [IIN-based: Match]","exact_mass":790.29,"inchikey":"YDHSGSSEZHFAJJ-YRJFMNGISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":808.3237,"smiles":"COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@H](C[C@H]13)OC(=O)C4=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]6[C@@H](C)[C@H](C[C@H]46)OC(C)=O","spectrum_id":"CCMSLIB00005722067","spectrum_index":6729},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385662-01!5,6-dimethoxy-2-(2-methoxyphenyl)chromen-4-one [IIN-based on: CCMSLIB00000847313]","exact_mass":312.1,"inchikey":"IQWXFMQSQNSHKI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.0894,"smiles":"COC1=CC=C2OC(=CC(=O)C2=C1OC)C3=CC=CC=C3OC","spectrum_id":"CCMSLIB00005722068","spectrum_index":6730},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385662-01!5,6-dimethoxy-2-(2-methoxyphenyl)chromen-4-one [IIN-based on: CCMSLIB00000847313]","exact_mass":312.1,"inchikey":"IQWXFMQSQNSHKI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":647.189,"smiles":"COC1=CC=C2OC(=CC(=O)C2=C1OC)C3=CC=CC=C3OC","spectrum_id":"CCMSLIB00005722070","spectrum_index":6731},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385662-01!5,6-dimethoxy-2-(2-methoxyphenyl)chromen-4-one [IIN-based: Match]","exact_mass":312.1,"inchikey":"IQWXFMQSQNSHKI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.1074,"smiles":"COC1=CC=C2OC(=CC(=O)C2=C1OC)C3=CC=CC=C3OC","spectrum_id":"CCMSLIB00005722071","spectrum_index":6732},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385635-01!(E)-3-[3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]phenyl]prop-2-en-1-ol [IIN-based: Match]","exact_mass":388.189,"inchikey":"CZVGIALASULOAU-VOTSOKGWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.2231,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(\\\\C=C\\\\CO)C=C2)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00005722074","spectrum_index":6733},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385635-01!(E)-3-[3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]phenyl]prop-2-en-1-ol [IIN-based on: CCMSLIB00000845648]","exact_mass":388.189,"inchikey":"CZVGIALASULOAU-VOTSOKGWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.1854,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(\\\\C=C\\\\CO)C=C2)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00005722075","spectrum_index":6734},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384962-01!2-hydroxy-1,3-dimethoxy-10-methylacridin-9-one [IIN-based on: CCMSLIB00000848955]","exact_mass":285.1,"inchikey":"JENFZXAOWFNHSE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.0894,"smiles":"COC1=CC2=C(C(=O)C3=CC=CC=C3N2C)C(OC)=C1O","spectrum_id":"CCMSLIB00005722076","spectrum_index":6735},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384962-01!2-hydroxy-1,3-dimethoxy-10-methylacridin-9-one [IIN-based on: CCMSLIB00000848955]","exact_mass":285.1,"inchikey":"JENFZXAOWFNHSE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.1896,"smiles":"COC1=CC2=C(C(=O)C3=CC=CC=C3N2C)C(OC)=C1O","spectrum_id":"CCMSLIB00005722077","spectrum_index":6736},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384962-01!2-hydroxy-1,3-dimethoxy-10-methylacridin-9-one [IIN-based: Match]","exact_mass":285.1,"inchikey":"JENFZXAOWFNHSE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.1074,"smiles":"COC1=CC2=C(C(=O)C3=CC=CC=C3N2C)C(OC)=C1O","spectrum_id":"CCMSLIB00005722078","spectrum_index":6737},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384924-01!5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chromen-4-one [IIN-based: Match]","exact_mass":406.178,"inchikey":"FXJPTJQFJYNFKC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.1854,"smiles":"CC(C)=CCC1=C(O)C=CC(=C1)C2=COC3=C(CC=C(C)C)C(O)=CC(O)=C3C2=O","spectrum_id":"CCMSLIB00005722080","spectrum_index":6738},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385642-01!1,4-dihydroxyheptadec-16-en-2-yl acetate [IIN-based on: CCMSLIB00000845027]","exact_mass":328.261,"inchikey":"LUIGTZGBXWZJAX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.2508,"smiles":"CC(=O)OC(CO)CC(O)CCCCCCCCCCCC=C","spectrum_id":"CCMSLIB00005722081","spectrum_index":6739},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385642-01!1,4-dihydroxyheptadec-16-en-2-yl acetate [IIN-based: Match]","exact_mass":328.261,"inchikey":"LUIGTZGBXWZJAX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.2576,"smiles":"CC(=O)OC(CO)CC(O)CCCCCCCCCCCC=C","spectrum_id":"CCMSLIB00005722082","spectrum_index":6740},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178573-02!2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847919]","exact_mass":292.131,"inchikey":"HEURTYMJWQPWNN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.1279,"smiles":"COC1=CC(=O)OC(CCC2=CC(OC)=C(OC)C=C2)C1","spectrum_id":"CCMSLIB00005722083","spectrum_index":6741},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178573-02!2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]","exact_mass":292.131,"inchikey":"HEURTYMJWQPWNN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.1384,"smiles":"COC1=CC(=O)OC(CCC2=CC(OC)=C(OC)C=C2)C1","spectrum_id":"CCMSLIB00005722084","spectrum_index":6742},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178573-02!2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847919]","exact_mass":292.131,"inchikey":"HEURTYMJWQPWNN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.0943,"smiles":"COC1=CC(=O)OC(CCC2=CC(OC)=C(OC)C=C2)C1","spectrum_id":"CCMSLIB00005722085","spectrum_index":6743},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178573-02!2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847919]","exact_mass":292.131,"inchikey":"HEURTYMJWQPWNN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.1207,"smiles":"COC1=CC(=O)OC(CCC2=CC(OC)=C(OC)C=C2)C1","spectrum_id":"CCMSLIB00005722086","spectrum_index":6744},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385656-01!9-(1H-indol-3-ylmethyl)-6,12-dimethyl-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone [IIN-based: Match]","exact_mass":484.243,"inchikey":"NYPFHMYOQFDZQG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.251,"smiles":"CC(C)C1NC(=O)C(C)NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C(C)NC(=O)CNC1=O","spectrum_id":"CCMSLIB00005722087","spectrum_index":6745},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00385656-01!9-(1H-indol-3-ylmethyl)-6,12-dimethyl-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone [IIN-based on: CCMSLIB00000845033]","exact_mass":484.243,"inchikey":"NYPFHMYOQFDZQG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":504.2242,"smiles":"CC(C)C1NC(=O)C(C)NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C(C)NC(=O)CNC1=O","spectrum_id":"CCMSLIB00005722088","spectrum_index":6746},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385656-01!9-(1H-indol-3-ylmethyl)-6,12-dimethyl-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone [IIN-based on: CCMSLIB00000845033]","exact_mass":484.243,"inchikey":"NYPFHMYOQFDZQG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":991.476,"smiles":"CC(C)C1NC(=O)C(C)NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C(C)NC(=O)CNC1=O","spectrum_id":"CCMSLIB00005722089","spectrum_index":6747},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385656-01!9-(1H-indol-3-ylmethyl)-6,12-dimethyl-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone [IIN-based on: CCMSLIB00000845033]","exact_mass":484.243,"inchikey":"NYPFHMYOQFDZQG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":507.2326,"smiles":"CC(C)C1NC(=O)C(C)NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C(C)NC(=O)CNC1=O","spectrum_id":"CCMSLIB00005722091","spectrum_index":6748},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384963-01!7-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one [IIN-based: Match]","exact_mass":420.157,"inchikey":"PSEBCAMYGWGJMH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.165,"smiles":"CC(C)=CCC1=C2OC=C(C(=O)C2=C(O)C3=C1OC(C)(C)C=C3)C4=CC=C(O)C(O)=C4","spectrum_id":"CCMSLIB00005722093","spectrum_index":6749},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347722-02!(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid [IIN-based on: CCMSLIB00000847318]","exact_mass":396.288,"inchikey":"NNPPLRJHBQPBAQ-UKRBZAIKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.2742,"smiles":"CCC(C)CC(C)CC(CO)CC(C)\\\\C=C(C)\\\\C=C(\\\\CC(C)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005722094","spectrum_index":6750},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347722-02!(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid [IIN-based on: CCMSLIB00000847318]","exact_mass":396.288,"inchikey":"NNPPLRJHBQPBAQ-UKRBZAIKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.2592,"smiles":"CCC(C)CC(C)CC(CO)CC(C)\\\\C=C(C)\\\\C=C(\\\\CC(C)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005722095","spectrum_index":6751},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347722-02!(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid [IIN-based on: CCMSLIB00000847318]","exact_mass":396.288,"inchikey":"NNPPLRJHBQPBAQ-UKRBZAIKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.2847,"smiles":"CCC(C)CC(C)CC(CO)CC(C)\\\\C=C(C)\\\\C=C(\\\\CC(C)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005722096","spectrum_index":6752},{"adduct":"[M+Ca-H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347722-02!(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid [IIN-based on: CCMSLIB00000847318]","exact_mass":396.288,"inchikey":"NNPPLRJHBQPBAQ-UKRBZAIKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.2421,"smiles":"CCC(C)CC(C)CC(CO)CC(C)\\\\C=C(C)\\\\C=C(\\\\CC(C)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005722097","spectrum_index":6753},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347722-02!(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid [IIN-based: Match]","exact_mass":396.288,"inchikey":"NNPPLRJHBQPBAQ-UKRBZAIKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.2953,"smiles":"CCC(C)CC(C)CC(CO)CC(C)\\\\C=C(C)\\\\C=C(\\\\CC(C)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005722098","spectrum_index":6754},{"adduct":"[M-3H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347722-02!(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid [IIN-based on: CCMSLIB00000847318]","exact_mass":396.288,"inchikey":"NNPPLRJHBQPBAQ-UKRBZAIKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.2635,"smiles":"CCC(C)CC(C)CC(CO)CC(C)\\\\C=C(C)\\\\C=C(\\\\CC(C)C(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005722100","spectrum_index":6755},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385669-01!(E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid [IIN-based on: CCMSLIB00000845030]","exact_mass":392.22,"inchikey":"XMWOVKVFIVCVPN-XNTDXEJSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.2062,"smiles":"CC(=O)OC\\\\C(CCC1C(C=O)=CC(O)C2C(C)(C)CCCC12C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722101","spectrum_index":6756},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385669-01!(E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid [IIN-based on: CCMSLIB00000845030]","exact_mass":392.22,"inchikey":"XMWOVKVFIVCVPN-XNTDXEJSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.2093,"smiles":"CC(=O)OC\\\\C(CCC1C(C=O)=CC(O)C2C(C)(C)CCCC12C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722102","spectrum_index":6757},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385669-01!(E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid [IIN-based: Match]","exact_mass":392.22,"inchikey":"XMWOVKVFIVCVPN-XNTDXEJSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.2168,"smiles":"CC(=O)OC\\\\C(CCC1C(C=O)=CC(O)C2C(C)(C)CCCC12C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722103","spectrum_index":6758},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347564-02!(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione [IIN-based on: CCMSLIB00000845126]","exact_mass":323.164,"inchikey":"MYRPIYZIAHOECW-SAIXKJTDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":669.3164,"smiles":"C[C@@H]1NC(=O)\\\\C(NC1=O)=C\\\\C2=C(NC3=CC=CC=C23)C(C)(C)C=C","spectrum_id":"CCMSLIB00005722104","spectrum_index":6759},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347564-02!(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione [IIN-based: Match]","exact_mass":323.164,"inchikey":"MYRPIYZIAHOECW-SAIXKJTDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":324.1708,"smiles":"C[C@@H]1NC(=O)\\\\C(NC1=O)=C\\\\C2=C(NC3=CC=CC=C23)C(C)(C)C=C","spectrum_id":"CCMSLIB00005722105","spectrum_index":6760},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384930-01!4-(4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoic acid [IIN-based: Match]","exact_mass":402.168,"inchikey":"MUQKNNNEHVXLOL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.1756,"smiles":"COC1=C(C)C(OC(=O)C2=C(OC)C(C)=C(O)C(C)=C2C)=C(C)C(C)=C1C(O)=O","spectrum_id":"CCMSLIB00005722106","spectrum_index":6761},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384930-01!4-(4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoic acid [IIN-based on: CCMSLIB00000847923]","exact_mass":402.168,"inchikey":"MUQKNNNEHVXLOL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.1575,"smiles":"COC1=C(C)C(OC(=O)C2=C(OC)C(C)=C(O)C(C)=C2C)=C(C)C(C)=C1C(O)=O","spectrum_id":"CCMSLIB00005722107","spectrum_index":6762},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385666-01!(1R,2S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide [IIN-based on: CCMSLIB00000847776]","exact_mass":684.269,"inchikey":"IFNFMIMLJKQPGW-ZQWAWDFXSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":707.2579,"smiles":"COC1=CC(=CC(OC)=C1O)[C@H]2[C@H](C(=O)NCCC3=CC=C(O)C=C3)C(=CC4=CC(OC)=C(O)C(OC)=C24)C(=O)NCCC5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00005722108","spectrum_index":6763},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385666-01!(1R,2S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide [IIN-based: Match]","exact_mass":684.269,"inchikey":"IFNFMIMLJKQPGW-ZQWAWDFXSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":685.276,"smiles":"COC1=CC(=CC(OC)=C1O)[C@H]2[C@H](C(=O)NCCC3=CC=C(O)C=C3)C(=CC4=CC(OC)=C(O)C(OC)=C24)C(=O)NCCC5=CC=C(O)C=C5","spectrum_id":"CCMSLIB00005722109","spectrum_index":6764},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384974-01!4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol [IIN-based: Match]","exact_mass":404.184,"inchikey":"CAUANPLJFMVCHO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.1803,"smiles":"COC1=CC(=CC(OC)=C1O)C2OC(C(C)C2C)C3=CC(OC)=C(O)C(OC)=C3","spectrum_id":"CCMSLIB00005722111","spectrum_index":6765},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384974-01!4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol [IIN-based on: CCMSLIB00000847411]","exact_mass":404.184,"inchikey":"CAUANPLJFMVCHO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.1909,"smiles":"COC1=CC(=CC(OC)=C1O)C2OC(C(C)C2C)C3=CC(OC)=C(O)C(OC)=C3","spectrum_id":"CCMSLIB00005722112","spectrum_index":6766},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based on: CCMSLIB00000847299]","exact_mass":356.22,"inchikey":"WKPLWDFQTVJLIX-WFYKWJGLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.206,"smiles":"COC(=O)C(CO)C(O)CCCCC(C)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722114","spectrum_index":6767},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based on: CCMSLIB00000847299]","exact_mass":356.22,"inchikey":"WKPLWDFQTVJLIX-WFYKWJGLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.1913,"smiles":"COC(=O)C(CO)C(O)CCCCC(C)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722115","spectrum_index":6768},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based: Match]","exact_mass":356.22,"inchikey":"WKPLWDFQTVJLIX-WFYKWJGLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.2166,"smiles":"COC(=O)C(CO)C(O)CCCCC(C)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722116","spectrum_index":6769},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based on: CCMSLIB00000847299]","exact_mass":356.22,"inchikey":"WKPLWDFQTVJLIX-WFYKWJGLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.1825,"smiles":"COC(=O)C(CO)C(O)CCCCC(C)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722117","spectrum_index":6770},{"adduct":"[M-3H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based on: CCMSLIB00000847299]","exact_mass":356.22,"inchikey":"WKPLWDFQTVJLIX-WFYKWJGLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.1952,"smiles":"COC(=O)C(CO)C(O)CCCCC(C)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722118","spectrum_index":6771},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based on: CCMSLIB00000847299]","exact_mass":356.22,"inchikey":"WKPLWDFQTVJLIX-WFYKWJGLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.2271,"smiles":"COC(=O)C(CO)C(O)CCCCC(C)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722119","spectrum_index":6772},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based on: CCMSLIB00000847299]","exact_mass":356.22,"inchikey":"WKPLWDFQTVJLIX-WFYKWJGLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.2092,"smiles":"COC(=O)C(CO)C(O)CCCCC(C)C\\\\C(C)=C\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722120","spectrum_index":6773},{"adduct":"[M+Ca-H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380958-01!2-[[2-[2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoic acid [IIN-based on: CCMSLIB00000846757]","exact_mass":758.431,"inchikey":"PGRWPWIGJLNDHN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":797.387,"smiles":"CC(C)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00005722121","spectrum_index":6774},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380958-01!2-[[2-[2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoic acid [IIN-based on: CCMSLIB00000846757]","exact_mass":758.431,"inchikey":"PGRWPWIGJLNDHN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":781.4208,"smiles":"CC(C)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00005722122","spectrum_index":6775},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380958-01!2-[[2-[2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoic acid [IIN-based on: CCMSLIB00000846757]","exact_mass":758.431,"inchikey":"PGRWPWIGJLNDHN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.1968,"smiles":"CC(C)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00005722123","spectrum_index":6776},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380958-01!2-[[2-[2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoic acid [IIN-based on: CCMSLIB00000846757]","exact_mass":758.431,"inchikey":"PGRWPWIGJLNDHN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":803.4025,"smiles":"CC(C)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00005722124","spectrum_index":6777},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380958-01!2-[[2-[2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoic acid [IIN-based on: CCMSLIB00000846757]","exact_mass":758.431,"inchikey":"PGRWPWIGJLNDHN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":741.4283,"smiles":"CC(C)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00005722125","spectrum_index":6778},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380958-01!2-[[2-[2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoic acid [IIN-based: Match]","exact_mass":758.431,"inchikey":"PGRWPWIGJLNDHN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":776.4654,"smiles":"CC(C)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00005722126","spectrum_index":6779},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380958-01!2-[[2-[2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoic acid [IIN-based on: CCMSLIB00000846757]","exact_mass":758.431,"inchikey":"PGRWPWIGJLNDHN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":759.4391,"smiles":"CC(C)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00005722127","spectrum_index":6780},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00347406-02!5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid [IIN-based on: CCMSLIB00000847900]","exact_mass":350.209,"inchikey":"XKXZAYIPFRBKHT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":370.1899,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O","spectrum_id":"CCMSLIB00005722128","spectrum_index":6781},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347406-02!5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid [IIN-based on: CCMSLIB00000847900]","exact_mass":350.209,"inchikey":"XKXZAYIPFRBKHT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.1957,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O","spectrum_id":"CCMSLIB00005722129","spectrum_index":6782},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347406-02!5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid [IIN-based on: CCMSLIB00000847900]","exact_mass":350.209,"inchikey":"XKXZAYIPFRBKHT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.2062,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O","spectrum_id":"CCMSLIB00005722130","spectrum_index":6783},{"adduct":"[M-3H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347406-02!5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid [IIN-based on: CCMSLIB00000847900]","exact_mass":350.209,"inchikey":"XKXZAYIPFRBKHT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.1851,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O","spectrum_id":"CCMSLIB00005722131","spectrum_index":6784},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347406-02!5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid [IIN-based: Match]","exact_mass":350.209,"inchikey":"XKXZAYIPFRBKHT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.2167,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O","spectrum_id":"CCMSLIB00005722132","spectrum_index":6785},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347805-02!(2E,6E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol [IIN-based on: CCMSLIB00000847513]","exact_mass":754.632,"inchikey":"MFQDKOXWQXOOAO-YAHSWYSTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":719.6184,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC\\\\C(C)=C\\\\CC\\\\C(C)=C\\\\CO","spectrum_id":"CCMSLIB00005722133","spectrum_index":6786},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347805-02!(2E,6E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol [IIN-based on: CCMSLIB00000847513]","exact_mass":754.632,"inchikey":"MFQDKOXWQXOOAO-YAHSWYSTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":737.6291,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC\\\\C(C)=C\\\\CC\\\\C(C)=C\\\\CO","spectrum_id":"CCMSLIB00005722134","spectrum_index":6787},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347805-02!(2E,6E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol [IIN-based on: CCMSLIB00000847513]","exact_mass":754.632,"inchikey":"MFQDKOXWQXOOAO-YAHSWYSTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":777.6205,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC\\\\C(C)=C\\\\CC\\\\C(C)=C\\\\CO","spectrum_id":"CCMSLIB00005722135","spectrum_index":6788},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347805-02!(2E,6E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol [IIN-based: Match]","exact_mass":754.632,"inchikey":"MFQDKOXWQXOOAO-YAHSWYSTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":755.6398,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC\\\\C(C)=C\\\\CC\\\\C(C)=C\\\\CO","spectrum_id":"CCMSLIB00005722136","spectrum_index":6789},{"adduct":"[M-4H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347805-02!(2E,6E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol [IIN-based on: CCMSLIB00000847513]","exact_mass":754.632,"inchikey":"MFQDKOXWQXOOAO-YAHSWYSTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":683.597,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC\\\\C(C)=C\\\\CC\\\\C(C)=C\\\\CO","spectrum_id":"CCMSLIB00005722137","spectrum_index":6790},{"adduct":"[M-3H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347805-02!(2E,6E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol [IIN-based on: CCMSLIB00000847513]","exact_mass":754.632,"inchikey":"MFQDKOXWQXOOAO-YAHSWYSTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":701.6076,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC\\\\C(C)=C\\\\CC\\\\C(C)=C\\\\CO","spectrum_id":"CCMSLIB00005722138","spectrum_index":6791},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00347805-02!(2E,6E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol [IIN-based on: CCMSLIB00000847513]","exact_mass":754.632,"inchikey":"MFQDKOXWQXOOAO-YAHSWYSTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.2973,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC\\\\C(C)=C\\\\CC\\\\C(C)=C\\\\CO","spectrum_id":"CCMSLIB00005722139","spectrum_index":6792},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347805-02!(2E,6E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol [IIN-based on: CCMSLIB00000847513]","exact_mass":754.632,"inchikey":"MFQDKOXWQXOOAO-YAHSWYSTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":793.5956,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC\\\\C(C)=C\\\\CC\\\\C(C)=C\\\\CO","spectrum_id":"CCMSLIB00005722140","spectrum_index":6793},{"adduct":"[M-5H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347805-02!(2E,6E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol [IIN-based on: CCMSLIB00000847513]","exact_mass":754.632,"inchikey":"MFQDKOXWQXOOAO-YAHSWYSTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":665.5868,"smiles":"CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC\\\\C(C)=C\\\\CC\\\\C(C)=C\\\\CO","spectrum_id":"CCMSLIB00005722141","spectrum_index":6794},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169102-02!2-[5-[2-[2-[5-[2-[2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000847528]","exact_mass":768.466,"inchikey":"VNBPNPCSBYXRNC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":791.4549,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)OC(C)CC4CCC(O4)C(C)C(O)=O","spectrum_id":"CCMSLIB00005722142","spectrum_index":6795},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169102-02!2-[5-[2-[2-[5-[2-[2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000847528]","exact_mass":768.466,"inchikey":"VNBPNPCSBYXRNC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":769.4734,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)OC(C)CC4CCC(O4)C(C)C(O)=O","spectrum_id":"CCMSLIB00005722143","spectrum_index":6796},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00169102-02!2-[5-[2-[2-[5-[2-[2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000847528]","exact_mass":768.466,"inchikey":"VNBPNPCSBYXRNC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.2136,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)OC(C)CC4CCC(O4)C(C)C(O)=O","spectrum_id":"CCMSLIB00005722144","spectrum_index":6797},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169102-02!2-[5-[2-[2-[5-[2-[2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based: Match]","exact_mass":768.466,"inchikey":"VNBPNPCSBYXRNC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":786.5002,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)OC(C)CC4CCC(O4)C(C)C(O)=O","spectrum_id":"CCMSLIB00005722145","spectrum_index":6798},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381050-01!7-(5,7-dimethoxy-4-oxochromen-2-yl)-6-hydroxyheptanoic acid [IIN-based on: CCMSLIB00000845870]","exact_mass":350.137,"inchikey":"CRHUZHVITSVUHQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.1261,"smiles":"COC1=CC(OC)=C2C(=O)C=C(CC(O)CCCCC(O)=O)OC2=C1","spectrum_id":"CCMSLIB00005722146","spectrum_index":6799},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381050-01!7-(5,7-dimethoxy-4-oxochromen-2-yl)-6-hydroxyheptanoic acid [IIN-based: Match]","exact_mass":350.137,"inchikey":"CRHUZHVITSVUHQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.1442,"smiles":"COC1=CC(OC)=C2C(=O)C=C(CC(O)CCCCC(O)=O)OC2=C1","spectrum_id":"CCMSLIB00005722147","spectrum_index":6800},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381050-01!7-(5,7-dimethoxy-4-oxochromen-2-yl)-6-hydroxyheptanoic acid [IIN-based on: CCMSLIB00000845870]","exact_mass":350.137,"inchikey":"CRHUZHVITSVUHQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":723.2626,"smiles":"COC1=CC(OC)=C2C(=O)C=C(CC(O)CCCCC(O)=O)OC2=C1","spectrum_id":"CCMSLIB00005722148","spectrum_index":6801},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168955-03![3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl] 3,5-dihydroxydecanoate [IIN-based: Match]","exact_mass":554.33,"inchikey":"JPGYRFJJNVYGPI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":537.3269,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722149","spectrum_index":6802},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168955-03![3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl] 3,5-dihydroxydecanoate [IIN-based on: CCMSLIB00000847525]","exact_mass":554.33,"inchikey":"JPGYRFJJNVYGPI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.3161,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722150","spectrum_index":6803},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168955-03![3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl] 3,5-dihydroxydecanoate [IIN-based on: CCMSLIB00000847525]","exact_mass":554.33,"inchikey":"JPGYRFJJNVYGPI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.3198,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722151","spectrum_index":6804},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00168955-03![3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl] 3,5-dihydroxydecanoate [IIN-based on: CCMSLIB00000847525]","exact_mass":554.33,"inchikey":"JPGYRFJJNVYGPI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.1458,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722152","spectrum_index":6805},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168955-03![3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl] 3,5-dihydroxydecanoate [IIN-based on: CCMSLIB00000847525]","exact_mass":554.33,"inchikey":"JPGYRFJJNVYGPI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.292,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722153","spectrum_index":6806},{"adduct":"[M-3H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168955-03![3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl] 3,5-dihydroxydecanoate [IIN-based on: CCMSLIB00000847525]","exact_mass":554.33,"inchikey":"JPGYRFJJNVYGPI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":501.3055,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722154","spectrum_index":6807},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180266-02!3,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylic acid [IIN-based on: CCMSLIB00000847899]","exact_mass":286.048,"inchikey":"XSPSQSXYKJASKD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.0447,"smiles":"CC1=CC2=C(C(O)=C1)C(=O)C3=C(O2)C=C(O)C=C3C(O)=O","spectrum_id":"CCMSLIB00005722155","spectrum_index":6808},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180266-02!3,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylic acid [IIN-based: Match]","exact_mass":286.048,"inchikey":"XSPSQSXYKJASKD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.0554,"smiles":"CC1=CC2=C(C(O)=C1)C(=O)C3=C(O2)C=C(O)C=C3C(O)=O","spectrum_id":"CCMSLIB00005722156","spectrum_index":6809},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380967-01! [IIN-based: Match]","exact_mass":354.11,"inchikey":"ZUEKQPJBVORAFH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.1178,"smiles":"COC1=C2C(=O)C3=C(OC2=CC=C1)C=C4OC5(C)CCCC(O5)C4=C3O","spectrum_id":"CCMSLIB00005722157","spectrum_index":6810},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380967-01! [IIN-based on: CCMSLIB00000848027]","exact_mass":354.11,"inchikey":"ZUEKQPJBVORAFH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":731.2097,"smiles":"COC1=C2C(=O)C3=C(OC2=CC=C1)C=C4OC5(C)CCCC(O5)C4=C3O","spectrum_id":"CCMSLIB00005722158","spectrum_index":6811},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380970-01!3-hydroxy-2-[[3-(3-hydroxy-6-methylheptanoyl)oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based on: CCMSLIB00000848029]","exact_mass":417.273,"inchikey":"ZIMOUPHGHTXJRD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":440.2624,"smiles":"CC(C)CCCCC(CC(=O)NC(CO)C(O)=O)OC(=O)CC(O)CCC(C)C","spectrum_id":"CCMSLIB00005722159","spectrum_index":6812},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380970-01!3-hydroxy-2-[[3-(3-hydroxy-6-methylheptanoyl)oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based: Match]","exact_mass":417.273,"inchikey":"ZIMOUPHGHTXJRD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.2804,"smiles":"CC(C)CCCCC(CC(=O)NC(CO)C(O)=O)OC(=O)CC(O)CCC(C)C","spectrum_id":"CCMSLIB00005722160","spectrum_index":6813},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380970-01!3-hydroxy-2-[[3-(3-hydroxy-6-methylheptanoyl)oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based on: CCMSLIB00000848029]","exact_mass":417.273,"inchikey":"ZIMOUPHGHTXJRD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.2538,"smiles":"CC(C)CCCCC(CC(=O)NC(CO)C(O)=O)OC(=O)CC(O)CCC(C)C","spectrum_id":"CCMSLIB00005722161","spectrum_index":6814},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380970-01!3-hydroxy-2-[[3-(3-hydroxy-6-methylheptanoyl)oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based on: CCMSLIB00000848029]","exact_mass":417.273,"inchikey":"ZIMOUPHGHTXJRD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.2697,"smiles":"CC(C)CCCCC(CC(=O)NC(CO)C(O)=O)OC(=O)CC(O)CCC(C)C","spectrum_id":"CCMSLIB00005722162","spectrum_index":6815},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380970-01!3-hydroxy-2-[[3-(3-hydroxy-6-methylheptanoyl)oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based on: CCMSLIB00000848029]","exact_mass":417.273,"inchikey":"ZIMOUPHGHTXJRD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":462.2442,"smiles":"CC(C)CCCCC(CC(=O)NC(CO)C(O)=O)OC(=O)CC(O)CCC(C)C","spectrum_id":"CCMSLIB00005722163","spectrum_index":6816},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380792-01![(5aS,6S)-2-methyl-1,3,4-trioxo-5a,6-dihydrooxepino[1,2]pyrrolo[4,5-c]pyrazin-6-yl] 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate [IIN-based on: CCMSLIB00000848815]","exact_mass":532.112,"inchikey":"APGIPIWYVRPJKL-REWPJTCUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":555.101,"smiles":"COC1=CC=C(C=C1OC2=C(O)C=CC(C=O)=C2)C(=O)O[C@H]3C=COC=C4C=C5N([C@H]34)C(=O)C(=O)N(C)C5=O","spectrum_id":"CCMSLIB00005722164","spectrum_index":6817},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380792-01![(5aS,6S)-2-methyl-1,3,4-trioxo-5a,6-dihydrooxepino[1,2]pyrrolo[4,5-c]pyrazin-6-yl] 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate [IIN-based: Match]","exact_mass":532.112,"inchikey":"APGIPIWYVRPJKL-REWPJTCUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":533.1187,"smiles":"COC1=CC=C(C=C1OC2=C(O)C=CC(C=O)=C2)C(=O)O[C@H]3C=COC=C4C=C5N([C@H]34)C(=O)C(=O)N(C)C5=O","spectrum_id":"CCMSLIB00005722165","spectrum_index":6818},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347636-02![2-[2-(2-methylpropanoyloxy)propan-2-yl]-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate [IIN-based on: CCMSLIB00000848909]","exact_mass":402.168,"inchikey":"TZCDAGMXXYRIKO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.1571,"smiles":"CC(C)C(=O)OC1C(OC2=CC3=C(C=CC(=O)O3)C=C12)C(C)(C)OC(=O)C(C)C","spectrum_id":"CCMSLIB00005722166","spectrum_index":6819},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347636-02![2-[2-(2-methylpropanoyloxy)propan-2-yl]-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate [IIN-based: Match]","exact_mass":402.168,"inchikey":"TZCDAGMXXYRIKO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.1754,"smiles":"CC(C)C(=O)OC1C(OC2=CC3=C(C=CC(=O)O3)C=C12)C(C)(C)OC(=O)C(C)C","spectrum_id":"CCMSLIB00005722167","spectrum_index":6820},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381044-01!3,6-diphenylcyclohexane-1,2-diol [IIN-based: Match]","exact_mass":268.146,"inchikey":"KIDYUEHQXIEBGK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.1804,"smiles":"OC1C(O)C(CCC1C2=CC=CC=C2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722168","spectrum_index":6821},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381044-01!3,6-diphenylcyclohexane-1,2-diol [IIN-based on: CCMSLIB00000845865]","exact_mass":268.146,"inchikey":"KIDYUEHQXIEBGK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":233.1327,"smiles":"OC1C(O)C(CCC1C2=CC=CC=C2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722169","spectrum_index":6822},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381044-01!3,6-diphenylcyclohexane-1,2-diol [IIN-based on: CCMSLIB00000845865]","exact_mass":268.146,"inchikey":"KIDYUEHQXIEBGK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.1357,"smiles":"OC1C(O)C(CCC1C2=CC=CC=C2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722170","spectrum_index":6823},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169993-02!2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g]chromen-4-one [IIN-based: Match]","exact_mass":290.079,"inchikey":"FKCYENFBFZUSDP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.0866,"smiles":"COC1=C2C(O)=C3C(=O)CC(C)(O)OC3=CC2=CC(O)=C1","spectrum_id":"CCMSLIB00005722171","spectrum_index":6824},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169993-02!2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g]chromen-4-one [IIN-based on: CCMSLIB00000847293]","exact_mass":290.079,"inchikey":"FKCYENFBFZUSDP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":603.1476,"smiles":"COC1=C2C(O)=C3C(=O)CC(C)(O)OC3=CC2=CC(O)=C1","spectrum_id":"CCMSLIB00005722172","spectrum_index":6825},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380959-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 8-methylnonanoate [IIN-based on: CCMSLIB00000846747]","exact_mass":496.253,"inchikey":"QEGXBXBKQLQOHP-HSZKHKTISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":519.2416,"smiles":"CC(C)CCCCCCC(=O)OC[C@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005722174","spectrum_index":6826},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380959-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 8-methylnonanoate [IIN-based: Match]","exact_mass":496.253,"inchikey":"QEGXBXBKQLQOHP-HSZKHKTISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":514.2863,"smiles":"CC(C)CCCCCCC(=O)OC[C@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00005722175","spectrum_index":6827},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381058-01![3-hydroxy-1-[3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl]oxy-1-oxodecan-5-yl] 3,5-dihydroxydecanoate [IIN-based on: CCMSLIB00000846752]","exact_mass":740.456,"inchikey":"VVUAHGLHHLVKDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":705.4421,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722176","spectrum_index":6828},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381058-01![3-hydroxy-1-[3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl]oxy-1-oxodecan-5-yl] 3,5-dihydroxydecanoate [IIN-based on: CCMSLIB00000846752]","exact_mass":740.456,"inchikey":"VVUAHGLHHLVKDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":390.2092,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722177","spectrum_index":6829},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381058-01![3-hydroxy-1-[3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl]oxy-1-oxodecan-5-yl] 3,5-dihydroxydecanoate [IIN-based on: CCMSLIB00000846752]","exact_mass":740.456,"inchikey":"VVUAHGLHHLVKDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":763.4456,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722178","spectrum_index":6830},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381058-01![3-hydroxy-1-[3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl]oxy-1-oxodecan-5-yl] 3,5-dihydroxydecanoate [IIN-based: Match]","exact_mass":740.456,"inchikey":"VVUAHGLHHLVKDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":723.4529,"smiles":"CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722179","spectrum_index":6831},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347392-02!(2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,6aR,6bS,8aS,12aS,14bR)-4-carboxy-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based: Match]","exact_mass":1088.5,"inchikey":"RPWKGRUCXRZSSG-HGHIBLDCSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1106.5383,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@@](C)(C7CC[C@@]6(C)[C@]5(C)CC4)C(O)=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00005722180","spectrum_index":6832},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347392-02!(2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,6aR,6bS,8aS,12aS,14bR)-4-carboxy-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based on: CCMSLIB00000847909]","exact_mass":1088.5,"inchikey":"RPWKGRUCXRZSSG-HGHIBLDCSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1111.4926,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@@](C)(C7CC[C@@]6(C)[C@]5(C)CC4)C(O)=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O","spectrum_id":"CCMSLIB00005722182","spectrum_index":6833},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380977-01!6-[(1E,3E,5E,7E)-8-[(2R,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-3-methylpyran-2-one [IIN-based on: CCMSLIB00000848362]","exact_mass":402.205,"inchikey":"QPSHETAOAVLQIF-AYGDVHJDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":827.3981,"smiles":"COC1=C(C)C(=O)OC(\\\\C=C\\\\C=C\\\\C=C\\\\C(C)=C\\\\[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)=C1","spectrum_id":"CCMSLIB00005722183","spectrum_index":6834},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380977-01!6-[(1E,3E,5E,7E)-8-[(2R,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-3-methylpyran-2-one [IIN-based: Match]","exact_mass":402.205,"inchikey":"QPSHETAOAVLQIF-AYGDVHJDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.2121,"smiles":"COC1=C(C)C(=O)OC(\\\\C=C\\\\C=C\\\\C=C\\\\C(C)=C\\\\[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)=C1","spectrum_id":"CCMSLIB00005722185","spectrum_index":6835},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180352-03!(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based: Match]","exact_mass":454.127,"inchikey":"QQDLPJHEFJKVHT-MJRVOHGCSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":472.1608,"smiles":"O[C@H]1[C@H](OC2=C(C=C(O)C(C3=CC=CC=C3)=C2O)C4=CC=CC=C4)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00005722186","spectrum_index":6836},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180352-03!(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based on: CCMSLIB00000848542]","exact_mass":454.127,"inchikey":"QQDLPJHEFJKVHT-MJRVOHGCSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.1341,"smiles":"O[C@H]1[C@H](OC2=C(C=C(O)C(C3=CC=CC=C3)=C2O)C4=CC=CC=C4)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00005722187","spectrum_index":6837},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180352-03!(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based on: CCMSLIB00000848542]","exact_mass":454.127,"inchikey":"QQDLPJHEFJKVHT-MJRVOHGCSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":477.1154,"smiles":"O[C@H]1[C@H](OC2=C(C=C(O)C(C3=CC=CC=C3)=C2O)C4=CC=CC=C4)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O","spectrum_id":"CCMSLIB00005722188","spectrum_index":6838},{"adduct":"[2M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180821-02!(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one [IIN-based on: CCMSLIB00000846589]","exact_mass":358.142,"inchikey":"TVKGYMYAOVADOP-SOFGYWHQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":755.2457,"smiles":"COC1=CC(OC)=C(C(=O)\\\\C=C\\\\C2=CC(OC)=C(OC)C=C2)C(OC)=C1","spectrum_id":"CCMSLIB00005722189","spectrum_index":6839},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180821-02!(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one [IIN-based on: CCMSLIB00000846589]","exact_mass":358.142,"inchikey":"TVKGYMYAOVADOP-SOFGYWHQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":739.2723,"smiles":"COC1=CC(OC)=C(C(=O)\\\\C=C\\\\C2=CC(OC)=C(OC)C=C2)C(OC)=C1","spectrum_id":"CCMSLIB00005722190","spectrum_index":6840},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180821-02!(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one [IIN-based: Match]","exact_mass":358.142,"inchikey":"TVKGYMYAOVADOP-SOFGYWHQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.1488,"smiles":"COC1=CC(OC)=C(C(=O)\\\\C=C\\\\C2=CC(OC)=C(OC)C=C2)C(OC)=C1","spectrum_id":"CCMSLIB00005722191","spectrum_index":6841},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845801]","exact_mass":398.23,"inchikey":"XFNIQDLOQLIJTQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.2015,"smiles":"CCC(CC1CCC(O1)C(C)C(O)=O)OC(=O)C(C)C2CCC(CC(C)=O)O2","spectrum_id":"CCMSLIB00005722192","spectrum_index":6842},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid [IIN-based: Match]","exact_mass":398.23,"inchikey":"XFNIQDLOQLIJTQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":416.2647,"smiles":"CCC(CC1CCC(O1)C(C)C(O)=O)OC(=O)C(C)C2CCC(CC(C)=O)O2","spectrum_id":"CCMSLIB00005722193","spectrum_index":6843},{"adduct":"[2M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845801]","exact_mass":398.23,"inchikey":"XFNIQDLOQLIJTQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":841.4305,"smiles":"CCC(CC1CCC(O1)C(C)C(O)=O)OC(=O)C(C)C2CCC(CC(C)=O)O2","spectrum_id":"CCMSLIB00005722194","spectrum_index":6844},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845801]","exact_mass":398.23,"inchikey":"XFNIQDLOQLIJTQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.2377,"smiles":"CCC(CC1CCC(O1)C(C)C(O)=O)OC(=O)C(C)C2CCC(CC(C)=O)O2","spectrum_id":"CCMSLIB00005722195","spectrum_index":6845},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845801]","exact_mass":398.23,"inchikey":"XFNIQDLOQLIJTQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.22,"smiles":"CCC(CC1CCC(O1)C(C)C(O)=O)OC(=O)C(C)C2CCC(CC(C)=O)O2","spectrum_id":"CCMSLIB00005722196","spectrum_index":6846},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845801]","exact_mass":398.23,"inchikey":"XFNIQDLOQLIJTQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.2273,"smiles":"CCC(CC1CCC(O1)C(C)C(O)=O)OC(=O)C(C)C2CCC(CC(C)=O)O2","spectrum_id":"CCMSLIB00005722197","spectrum_index":6847},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845801]","exact_mass":398.23,"inchikey":"XFNIQDLOQLIJTQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.1925,"smiles":"CCC(CC1CCC(O1)C(C)C(O)=O)OC(=O)C(C)C2CCC(CC(C)=O)O2","spectrum_id":"CCMSLIB00005722198","spectrum_index":6848},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381067-01!methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate [IIN-based: Match]","exact_mass":420.142,"inchikey":"SADAOVOLILWFIU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.15,"smiles":"COC(C)CC1=C(OC)C(=O)C(=CO1)C(=O)C2=C(OC)C=C(OC)C=C2C(=O)OC","spectrum_id":"CCMSLIB00005722199","spectrum_index":6849},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381067-01!methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate [IIN-based on: CCMSLIB00000848091]","exact_mass":420.142,"inchikey":"SADAOVOLILWFIU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":863.2733,"smiles":"COC(C)CC1=C(OC)C(=O)C(=CO1)C(=O)C2=C(OC)C=C(OC)C=C2C(=O)OC","spectrum_id":"CCMSLIB00005722200","spectrum_index":6850},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381067-01!methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate [IIN-based on: CCMSLIB00000848091]","exact_mass":420.142,"inchikey":"SADAOVOLILWFIU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.1321,"smiles":"COC(C)CC1=C(OC)C(=O)C(=CO1)C(=O)C2=C(OC)C=C(OC)C=C2C(=O)OC","spectrum_id":"CCMSLIB00005722202","spectrum_index":6851},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385824-01!methyl 2,4,10-triacetyloxy-5,9-dihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate [IIN-based: Match]","exact_mass":520.231,"inchikey":"CDYGRHOHQUXDMN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":538.265,"smiles":"COC(=O)C1(C)C(CC(OC(C)=O)C2(C)C1C(OC(C)=O)C(O)C3=C2C(O)=CC(=C3)C(C)C)OC(C)=O","spectrum_id":"CCMSLIB00005722203","spectrum_index":6852},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385824-01!methyl 2,4,10-triacetyloxy-5,9-dihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate [IIN-based on: CCMSLIB00000847882]","exact_mass":520.231,"inchikey":"CDYGRHOHQUXDMN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.2276,"smiles":"COC(=O)C1(C)C(CC(OC(C)=O)C2(C)C1C(OC(C)=O)C(O)C3=C2C(O)=CC(=C3)C(C)C)OC(C)=O","spectrum_id":"CCMSLIB00005722204","spectrum_index":6853},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385824-01!methyl 2,4,10-triacetyloxy-5,9-dihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate [IIN-based on: CCMSLIB00000847882]","exact_mass":520.231,"inchikey":"CDYGRHOHQUXDMN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.2203,"smiles":"COC(=O)C1(C)C(CC(OC(C)=O)C2(C)C1C(OC(C)=O)C(O)C3=C2C(O)=CC(=C3)C(C)C)OC(C)=O","spectrum_id":"CCMSLIB00005722205","spectrum_index":6854},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385824-01!methyl 2,4,10-triacetyloxy-5,9-dihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate [IIN-based on: CCMSLIB00000847882]","exact_mass":520.231,"inchikey":"CDYGRHOHQUXDMN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1063.4505,"smiles":"COC(=O)C1(C)C(CC(OC(C)=O)C2(C)C1C(OC(C)=O)C(O)C3=C2C(O)=CC(=C3)C(C)C)OC(C)=O","spectrum_id":"CCMSLIB00005722206","spectrum_index":6855},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385824-01!methyl 2,4,10-triacetyloxy-5,9-dihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate [IIN-based on: CCMSLIB00000847882]","exact_mass":520.231,"inchikey":"CDYGRHOHQUXDMN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.1942,"smiles":"COC(=O)C1(C)C(CC(OC(C)=O)C2(C)C1C(OC(C)=O)C(O)C3=C2C(O)=CC(=C3)C(C)C)OC(C)=O","spectrum_id":"CCMSLIB00005722207","spectrum_index":6856},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385827-01!7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848158]","exact_mass":382.215,"inchikey":"FCWYNTDTQPCVPG-UQWVPHONSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":787.418,"smiles":"CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H](COC3=CC=C4C=CC(=O)OC4=C3)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00005722208","spectrum_index":6857},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385827-01!7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based: Match]","exact_mass":382.215,"inchikey":"FCWYNTDTQPCVPG-UQWVPHONSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.2222,"smiles":"CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H](COC3=CC=C4C=CC(=O)OC4=C3)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00005722209","spectrum_index":6858},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00385827-01!7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848158]","exact_mass":382.215,"inchikey":"FCWYNTDTQPCVPG-UQWVPHONSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.1954,"smiles":"CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H](COC3=CC=C4C=CC(=O)OC4=C3)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00005722210","spectrum_index":6859},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385827-01!7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848158]","exact_mass":382.215,"inchikey":"FCWYNTDTQPCVPG-UQWVPHONSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.2115,"smiles":"CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H](COC3=CC=C4C=CC(=O)OC4=C3)C(=C)CC[C@H]12","spectrum_id":"CCMSLIB00005722211","spectrum_index":6860},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585]","exact_mass":314.246,"inchikey":"GQEOLYBERRZZCE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.2536,"smiles":"CCCCCCCCC1OC1C(O)CCCCCCC(O)=O","spectrum_id":"CCMSLIB00005722212","spectrum_index":6861},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585]","exact_mass":314.246,"inchikey":"GQEOLYBERRZZCE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.218,"smiles":"CCCCCCCCC1OC1C(O)CCCCCCC(O)=O","spectrum_id":"CCMSLIB00005722213","spectrum_index":6862},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585]","exact_mass":314.246,"inchikey":"GQEOLYBERRZZCE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.2426,"smiles":"CCCCCCCCC1OC1C(O)CCCCCCC(O)=O","spectrum_id":"CCMSLIB00005722214","spectrum_index":6863},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585]","exact_mass":314.246,"inchikey":"GQEOLYBERRZZCE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.2326,"smiles":"CCCCCCCCC1OC1C(O)CCCCCCC(O)=O","spectrum_id":"CCMSLIB00005722215","spectrum_index":6864},{"adduct":"[M+CH3CN+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based: Match]","exact_mass":314.246,"inchikey":"GQEOLYBERRZZCE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":356.2803,"smiles":"CCCCCCCCC1OC1C(O)CCCCCCC(O)=O","spectrum_id":"CCMSLIB00005722216","spectrum_index":6865},{"adduct":"[2M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585]","exact_mass":314.246,"inchikey":"GQEOLYBERRZZCE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.4886,"smiles":"CCCCCCCCC1OC1C(O)CCCCCCC(O)=O","spectrum_id":"CCMSLIB00005722218","spectrum_index":6866},{"adduct":"[2M-H+Ca]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585]","exact_mass":314.246,"inchikey":"GQEOLYBERRZZCE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":667.4462,"smiles":"CCCCCCCCC1OC1C(O)CCCCCCC(O)=O","spectrum_id":"CCMSLIB00005722219","spectrum_index":6867},{"adduct":"[M-3H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585]","exact_mass":314.246,"inchikey":"GQEOLYBERRZZCE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.2218,"smiles":"CCCCCCCCC1OC1C(O)CCCCCCC(O)=O","spectrum_id":"CCMSLIB00005722220","spectrum_index":6868},{"adduct":"[M+Ca-H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585]","exact_mass":314.246,"inchikey":"GQEOLYBERRZZCE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.2004,"smiles":"CCCCCCCCC1OC1C(O)CCCCCCC(O)=O","spectrum_id":"CCMSLIB00005722221","spectrum_index":6869},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381288-01!2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid [IIN-based: Match]","exact_mass":747.404,"inchikey":"GQCJWFPDXATUKS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":748.4114,"smiles":"CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CCCCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005722222","spectrum_index":6870},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385760-01!(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one [IIN-based: Match]","exact_mass":502.33,"inchikey":"JQKLZAQSMGFZSI-NRFHFCOISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.3368,"smiles":"CC(=C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00005722223","spectrum_index":6871},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385760-01!(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one [IIN-based on: CCMSLIB00000848112]","exact_mass":502.33,"inchikey":"JQKLZAQSMGFZSI-NRFHFCOISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":467.316,"smiles":"CC(=C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00005722224","spectrum_index":6872},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385760-01!(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one [IIN-based on: CCMSLIB00000848112]","exact_mass":502.33,"inchikey":"JQKLZAQSMGFZSI-NRFHFCOISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.3263,"smiles":"CC(=C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00005722226","spectrum_index":6873},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381145-01!(7,9b-dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) hexanoate [IIN-based on: CCMSLIB00000845795]","exact_mass":380.22,"inchikey":"CCTUVGJRXQPMOJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":783.4295,"smiles":"CCCCCC(=O)OC1C=C2C(=O)OCC2(O)C3(C)CCC(O)C(C)(C)C13","spectrum_id":"CCMSLIB00005722227","spectrum_index":6874},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381145-01!(7,9b-dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) hexanoate [IIN-based: Match]","exact_mass":380.22,"inchikey":"CCTUVGJRXQPMOJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.2168,"smiles":"CCCCCC(=O)OC1C=C2C(=O)OCC2(O)C3(C)CCC(O)C(C)(C)C13","spectrum_id":"CCMSLIB00005722228","spectrum_index":6875},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381145-01!(7,9b-dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) hexanoate [IIN-based on: CCMSLIB00000845795]","exact_mass":380.22,"inchikey":"CCTUVGJRXQPMOJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.2276,"smiles":"CCCCCC(=O)OC1C=C2C(=O)OCC2(O)C3(C)CCC(O)C(C)(C)C13","spectrum_id":"CCMSLIB00005722229","spectrum_index":6876},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381145-01!(7,9b-dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) hexanoate [IIN-based on: CCMSLIB00000845795]","exact_mass":380.22,"inchikey":"CCTUVGJRXQPMOJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.2098,"smiles":"CCCCCC(=O)OC1C=C2C(=O)OCC2(O)C3(C)CCC(O)C(C)(C)C13","spectrum_id":"CCMSLIB00005722230","spectrum_index":6877},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385811-01!6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole [IIN-based on: CCMSLIB00000848624]","exact_mass":432.215,"inchikey":"RCFGIEPQSDGMJJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.1785,"smiles":"COCC(CC1=CC=C(OC)C(OC)=C1)C(COC)CC2=CC3=C(OCO3)C(OC)=C2","spectrum_id":"CCMSLIB00005722231","spectrum_index":6878},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385811-01!6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole [IIN-based on: CCMSLIB00000848624]","exact_mass":432.215,"inchikey":"RCFGIEPQSDGMJJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.2048,"smiles":"COCC(CC1=CC=C(OC)C(OC)=C1)C(COC)CC2=CC3=C(OCO3)C(OC)=C2","spectrum_id":"CCMSLIB00005722232","spectrum_index":6879},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385811-01!6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole [IIN-based: Match]","exact_mass":432.215,"inchikey":"RCFGIEPQSDGMJJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.2224,"smiles":"COCC(CC1=CC=C(OC)C(OC)=C1)C(COC)CC2=CC3=C(OCO3)C(OC)=C2","spectrum_id":"CCMSLIB00005722233","spectrum_index":6880},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385787-01!8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one [IIN-based on: CCMSLIB00000847549]","exact_mass":304.11,"inchikey":"RBKWJAHRWPDNPM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.0994,"smiles":"CC1(C)OC2=CC=C3C(=O)C=C(OC3=C2C=C1)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005722234","spectrum_index":6881},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385787-01!8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one [IIN-based: Match]","exact_mass":304.11,"inchikey":"RBKWJAHRWPDNPM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.1174,"smiles":"CC1(C)OC2=CC=C3C(=O)C=C(OC3=C2C=C1)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005722235","spectrum_index":6882},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385787-01!8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one [IIN-based on: CCMSLIB00000847549]","exact_mass":304.11,"inchikey":"RBKWJAHRWPDNPM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":631.2094,"smiles":"CC1(C)OC2=CC=C3C(=O)C=C(OC3=C2C=C1)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005722236","spectrum_index":6883},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00385796-01![(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based on: CCMSLIB00000848201]","exact_mass":592.31,"inchikey":"ZXONCHMIIHLRHD-INRWEYHGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.1357,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(C)=O","spectrum_id":"CCMSLIB00005722237","spectrum_index":6884},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385796-01![(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based: Match]","exact_mass":592.31,"inchikey":"ZXONCHMIIHLRHD-INRWEYHGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":610.3438,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(C)=O","spectrum_id":"CCMSLIB00005722238","spectrum_index":6885},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385796-01![(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based on: CCMSLIB00000848201]","exact_mass":592.31,"inchikey":"ZXONCHMIIHLRHD-INRWEYHGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":615.2987,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(C)=O","spectrum_id":"CCMSLIB00005722239","spectrum_index":6886},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385796-01![(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based on: CCMSLIB00000848201]","exact_mass":592.31,"inchikey":"ZXONCHMIIHLRHD-INRWEYHGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":631.2728,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(C)=O","spectrum_id":"CCMSLIB00005722240","spectrum_index":6887},{"adduct":"[2M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381085-01![8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000846900]","exact_mass":428.184,"inchikey":"MYXNOIIPXWBFFR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":895.3296,"smiles":"CC(C)CC(=O)OC1C(OC(=O)C=C(C)C)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00005722241","spectrum_index":6888},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381085-01![8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate [IIN-based: Match]","exact_mass":428.184,"inchikey":"MYXNOIIPXWBFFR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":446.2179,"smiles":"CC(C)CC(=O)OC1C(OC(=O)C=C(C)C)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00005722242","spectrum_index":6889},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381085-01![8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000846900]","exact_mass":428.184,"inchikey":"MYXNOIIPXWBFFR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":879.356,"smiles":"CC(C)CC(=O)OC1C(OC(=O)C=C(C)C)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00005722243","spectrum_index":6890},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381085-01![8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000846900]","exact_mass":428.184,"inchikey":"MYXNOIIPXWBFFR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":874.4022,"smiles":"CC(C)CC(=O)OC1C(OC(=O)C=C(C)C)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00005722244","spectrum_index":6891},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381085-01![8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000846900]","exact_mass":428.184,"inchikey":"MYXNOIIPXWBFFR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.1733,"smiles":"CC(C)CC(=O)OC1C(OC(=O)C=C(C)C)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00005722245","spectrum_index":6892},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000846388]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.3477,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722246","spectrum_index":6893},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000846388]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.6646,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722247","spectrum_index":6894},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000846388]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":580.3567,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722248","spectrum_index":6895},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000846388]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.3639,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722249","spectrum_index":6896},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000846388]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.3534,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722250","spectrum_index":6897},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000846388]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1137.7234,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722251","spectrum_index":6898},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000846388]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":596.3303,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722252","spectrum_index":6899},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based: Match]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":558.3748,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722253","spectrum_index":6900},{"adduct":"[2M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381104-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847554]","exact_mass":386.137,"inchikey":"VJVXQSFKTVUEFY-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":811.2361,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00005722254","spectrum_index":6901},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381104-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847554]","exact_mass":386.137,"inchikey":"VJVXQSFKTVUEFY-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.2621,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00005722255","spectrum_index":6902},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381104-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847554]","exact_mass":386.137,"inchikey":"VJVXQSFKTVUEFY-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.0998,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00005722256","spectrum_index":6903},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381104-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847554]","exact_mass":386.137,"inchikey":"VJVXQSFKTVUEFY-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.1261,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00005722257","spectrum_index":6904},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381104-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based: Match]","exact_mass":386.137,"inchikey":"VJVXQSFKTVUEFY-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.144,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00005722258","spectrum_index":6905},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381104-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847554]","exact_mass":386.137,"inchikey":"VJVXQSFKTVUEFY-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.1705,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00005722259","spectrum_index":6906},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381104-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847554]","exact_mass":386.137,"inchikey":"VJVXQSFKTVUEFY-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.1334,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00005722260","spectrum_index":6907},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180849-02!methyl 2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000848627]","exact_mass":438.168,"inchikey":"FCSKUNOKIVAIKK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.157,"smiles":"COC(=O)C2(CC1=CC(CC=C(C)C)=C(O)C=C1)OC(=O)C(OC)=C2C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00005722261","spectrum_index":6908},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180849-02!methyl 2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxofuran-2-carboxylate [IIN-based: Match]","exact_mass":438.168,"inchikey":"FCSKUNOKIVAIKK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.175,"smiles":"COC(=O)C2(CC1=CC(CC=C(C)C)=C(O)C=C1)OC(=O)C(OC)=C2C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00005722262","spectrum_index":6909},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381130-01!methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate [IIN-based on: CCMSLIB00000846918]","exact_mass":449.278,"inchikey":"YUXUTEAAGHFKKH-MKQCFFQWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":472.2673,"smiles":"COC(=O)\\\\C=C\\\\C(O)C(O)CC\\\\C(C)=C\\\\C1C=C(C)C(C)C2C(CC(C)C)NC(=O)C12O","spectrum_id":"CCMSLIB00005722263","spectrum_index":6910},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381130-01!methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate [IIN-based on: CCMSLIB00000846918]","exact_mass":449.278,"inchikey":"YUXUTEAAGHFKKH-MKQCFFQWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":921.544,"smiles":"COC(=O)\\\\C=C\\\\C(O)C(O)CC\\\\C(C)=C\\\\C1C=C(C)C(C)C2C(CC(C)C)NC(=O)C12O","spectrum_id":"CCMSLIB00005722265","spectrum_index":6911},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381130-01!methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate [IIN-based: Match]","exact_mass":449.278,"inchikey":"YUXUTEAAGHFKKH-MKQCFFQWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":450.2852,"smiles":"COC(=O)\\\\C=C\\\\C(O)C(O)CC\\\\C(C)=C\\\\C1C=C(C)C(C)C2C(CC(C)C)NC(=O)C12O","spectrum_id":"CCMSLIB00005722266","spectrum_index":6912},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381130-01!methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate [IIN-based on: CCMSLIB00000846918]","exact_mass":449.278,"inchikey":"YUXUTEAAGHFKKH-MKQCFFQWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.2591,"smiles":"COC(=O)\\\\C=C\\\\C(O)C(O)CC\\\\C(C)=C\\\\C1C=C(C)C(C)C2C(CC(C)C)NC(=O)C12O","spectrum_id":"CCMSLIB00005722267","spectrum_index":6913},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381130-01!methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate [IIN-based on: CCMSLIB00000846918]","exact_mass":449.278,"inchikey":"YUXUTEAAGHFKKH-MKQCFFQWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.6195,"smiles":"COC(=O)\\\\C=C\\\\C(O)C(O)CC\\\\C(C)=C\\\\C1C=C(C)C(C)C2C(CC(C)C)NC(=O)C12O","spectrum_id":"CCMSLIB00005722268","spectrum_index":6914},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381130-01!methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate [IIN-based on: CCMSLIB00000846918]","exact_mass":449.278,"inchikey":"YUXUTEAAGHFKKH-MKQCFFQWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.2744,"smiles":"COC(=O)\\\\C=C\\\\C(O)C(O)CC\\\\C(C)=C\\\\C1C=C(C)C(C)C2C(CC(C)C)NC(=O)C12O","spectrum_id":"CCMSLIB00005722269","spectrum_index":6915},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000846388]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":580.3569,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722270","spectrum_index":6916},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000846388]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":596.3307,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722271","spectrum_index":6917},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000846388]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.3468,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722272","spectrum_index":6918},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000846388]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1137.7235,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722273","spectrum_index":6919},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000846388]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.6646,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722274","spectrum_index":6920},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based: Match]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":558.3751,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722275","spectrum_index":6921},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000846388]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.3534,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722276","spectrum_index":6922},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000846388]","exact_mass":557.367,"inchikey":"CBEIHVWVTGRGDR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.3643,"smiles":"CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722277","spectrum_index":6923},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385788-01!3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":424.188,"inchikey":"LYELCCACUCFABR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.1953,"smiles":"CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OCC(C(=O)C2=C1O)C3=CC=C(O)C=C3O","spectrum_id":"CCMSLIB00005722278","spectrum_index":6924},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381139-01!6-benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000845831]","exact_mass":570.342,"inchikey":"RWTAMSAIOGWNBT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.338,"smiles":"CCC(C)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCCC(=O)C(C)O)NC(=O)C3CCCCN3C1=O","spectrum_id":"CCMSLIB00005722280","spectrum_index":6925},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381139-01!6-benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000845831]","exact_mass":570.342,"inchikey":"RWTAMSAIOGWNBT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.331,"smiles":"CCC(C)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCCC(=O)C(C)O)NC(=O)C3CCCCN3C1=O","spectrum_id":"CCMSLIB00005722281","spectrum_index":6926},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381139-01!6-benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone [IIN-based: Match]","exact_mass":570.342,"inchikey":"RWTAMSAIOGWNBT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":571.3491,"smiles":"CCC(C)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCCC(=O)C(C)O)NC(=O)C3CCCCN3C1=O","spectrum_id":"CCMSLIB00005722282","spectrum_index":6927},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381139-01!6-benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000845831]","exact_mass":570.342,"inchikey":"RWTAMSAIOGWNBT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.3048,"smiles":"CCC(C)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCCC(=O)C(C)O)NC(=O)C3CCCCN3C1=O","spectrum_id":"CCMSLIB00005722283","spectrum_index":6928},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180457-02!4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one [IIN-based: Match]","exact_mass":370.142,"inchikey":"IYBDDRJHJMFFBB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":388.176,"smiles":"COC1=C(OC)C=C(CC2C(CC3=CC4=C(OCO4)C=C3)COC2=O)C=C1","spectrum_id":"CCMSLIB00005722284","spectrum_index":6929},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180457-02!4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one [IIN-based on: CCMSLIB00000847667]","exact_mass":370.142,"inchikey":"IYBDDRJHJMFFBB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.1492,"smiles":"COC1=C(OC)C=C(CC2C(CC3=CC4=C(OCO4)C=C3)COC2=O)C=C1","spectrum_id":"CCMSLIB00005722285","spectrum_index":6930},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180457-02!4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one [IIN-based on: CCMSLIB00000847667]","exact_mass":370.142,"inchikey":"IYBDDRJHJMFFBB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.1314,"smiles":"COC1=C(OC)C=C(CC2C(CC3=CC4=C(OCO4)C=C3)COC2=O)C=C1","spectrum_id":"CCMSLIB00005722286","spectrum_index":6931},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180457-02!4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one [IIN-based on: CCMSLIB00000847667]","exact_mass":370.142,"inchikey":"IYBDDRJHJMFFBB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.1388,"smiles":"COC1=C(OC)C=C(CC2C(CC3=CC4=C(OCO4)C=C3)COC2=O)C=C1","spectrum_id":"CCMSLIB00005722288","spectrum_index":6932},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180457-02!4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one [IIN-based on: CCMSLIB00000847667]","exact_mass":370.142,"inchikey":"IYBDDRJHJMFFBB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":763.272,"smiles":"COC1=C(OC)C=C(CC2C(CC3=CC4=C(OCO4)C=C3)COC2=O)C=C1","spectrum_id":"CCMSLIB00005722289","spectrum_index":6933},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385530-02!(E)-5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid [IIN-based on: CCMSLIB00000847550]","exact_mass":318.22,"inchikey":"SLMFLTPPPXRYHP-JLHYYAGUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.2164,"smiles":"CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722290","spectrum_index":6934},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385530-02!(E)-5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid [IIN-based on: CCMSLIB00000847550]","exact_mass":318.22,"inchikey":"SLMFLTPPPXRYHP-JLHYYAGUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.191,"smiles":"CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722291","spectrum_index":6935},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385530-02!(E)-5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid [IIN-based: Match]","exact_mass":318.22,"inchikey":"SLMFLTPPPXRYHP-JLHYYAGUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.2269,"smiles":"CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722292","spectrum_index":6936},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00385530-02!(E)-5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid [IIN-based on: CCMSLIB00000847550]","exact_mass":318.22,"inchikey":"SLMFLTPPPXRYHP-JLHYYAGUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":338.2005,"smiles":"CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\\\\C(C)=C\\\\C(O)=O","spectrum_id":"CCMSLIB00005722293","spectrum_index":6937},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385810-01! [IIN-based: Match]","exact_mass":410.137,"inchikey":"ZFSLOJRJABHMTL-OFNKIYASSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.1337,"smiles":"COC1=CC=C2C(=O)[C@@]3(O)[C@@H](COC4=C3C=C5OCOC5=C4)OC2=C1CC=C(C)C","spectrum_id":"CCMSLIB00005722294","spectrum_index":6938},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169318-02!(E)-7-(4-methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid [IIN-based: Match]","exact_mass":294.147,"inchikey":"HXLDSEPZKLJMIQ-DHZHZOJOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.154,"smiles":"COC1=C(C)C(=O)OC(=C1)C(\\\\C)=C\\\\C(C)CCCC(O)=O","spectrum_id":"CCMSLIB00005722295","spectrum_index":6939},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169318-02!(E)-7-(4-methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid [IIN-based on: CCMSLIB00000846906]","exact_mass":294.147,"inchikey":"HXLDSEPZKLJMIQ-DHZHZOJOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.1434,"smiles":"COC1=C(C)C(=O)OC(=C1)C(\\\\C)=C\\\\C(C)CCCC(O)=O","spectrum_id":"CCMSLIB00005722296","spectrum_index":6940},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381087-01!3-(2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based on: CCMSLIB00000846888]","exact_mass":264.1,"inchikey":"MXEZBPCVRNMVLQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.0968,"smiles":"COC1=CC(OC)=C2C(=O)OC(CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00005722298","spectrum_index":6941},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381087-01!3-(2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based: Match]","exact_mass":264.1,"inchikey":"MXEZBPCVRNMVLQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.1073,"smiles":"COC1=CC(OC)=C2C(=O)OC(CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00005722299","spectrum_index":6942},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385763-01!(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate [IIN-based: Match]","exact_mass":304.095,"inchikey":"IPUBQCBQSUVXEV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.0915,"smiles":"CC(=O)OC1C(O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722300","spectrum_index":6943},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385763-01!(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate [IIN-based on: CCMSLIB00000847853]","exact_mass":304.095,"inchikey":"IPUBQCBQSUVXEV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":631.1786,"smiles":"CC(=O)OC1C(O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722301","spectrum_index":6944},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385763-01!(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate [IIN-based on: CCMSLIB00000847853]","exact_mass":304.095,"inchikey":"IPUBQCBQSUVXEV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.0842,"smiles":"CC(=O)OC1C(O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722303","spectrum_index":6945},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347460-02!7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-8-(3-methylbut-2-enyl)chromen-2-one [IIN-based: Match]","exact_mass":366.22,"inchikey":"NKCISAZZXKYCSK-XDJHFCHBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.227,"smiles":"CC(C)=CCC\\\\C(C)=C\\\\COC1=CC=C2C=CC(=O)OC2=C1CC=C(C)C","spectrum_id":"CCMSLIB00005722304","spectrum_index":6946},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381075-01!3-(2,4-dihydroxypentyl)-6,8-dimethoxyisochromen-1-one [IIN-based: Match]","exact_mass":308.126,"inchikey":"UGHXSOJROIYABR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.1333,"smiles":"COC1=CC(OC)=C2C(=O)OC(CC(O)CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00005722306","spectrum_index":6947},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381075-01!3-(2,4-dihydroxypentyl)-6,8-dimethoxyisochromen-1-one [IIN-based on: CCMSLIB00000847759]","exact_mass":308.126,"inchikey":"UGHXSOJROIYABR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":639.2418,"smiles":"COC1=CC(OC)=C2C(=O)OC(CC(O)CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00005722307","spectrum_index":6948},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381169-01! [IIN-based: Match]","exact_mass":414.132,"inchikey":"NSNKDXYBGHRIGH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.1392,"smiles":"COC1=CC=C2OC3=C(C(=O)C2=C1OC)C(O)=C4C5CCCC(C)(O5)OC4=C3OC","spectrum_id":"CCMSLIB00005722308","spectrum_index":6949},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381169-01! [IIN-based on: CCMSLIB00000847987]","exact_mass":414.132,"inchikey":"NSNKDXYBGHRIGH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":851.2523,"smiles":"COC1=CC=C2OC3=C(C(=O)C2=C1OC)C(O)=C4C5CCCC(C)(O5)OC4=C3OC","spectrum_id":"CCMSLIB00005722309","spectrum_index":6950},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381169-01! [IIN-based on: CCMSLIB00000847987]","exact_mass":414.132,"inchikey":"NSNKDXYBGHRIGH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.1211,"smiles":"COC1=CC=C2OC3=C(C(=O)C2=C1OC)C(O)=C4C5CCCC(C)(O5)OC4=C3OC","spectrum_id":"CCMSLIB00005722310","spectrum_index":6951},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381169-01! [IIN-based on: CCMSLIB00000847987]","exact_mass":414.132,"inchikey":"NSNKDXYBGHRIGH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.0945,"smiles":"COC1=CC=C2OC3=C(C(=O)C2=C1OC)C(O)=C4C5CCCC(C)(O5)OC4=C3OC","spectrum_id":"CCMSLIB00005722311","spectrum_index":6952},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385366-01!(9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate [IIN-based: Match]","exact_mass":386.136,"inchikey":"LYUZYPKZQDYMEE-WDZFZDKYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.1705,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1C(OC(C)=O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722312","spectrum_index":6953},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385366-01!(9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848494]","exact_mass":386.136,"inchikey":"LYUZYPKZQDYMEE-WDZFZDKYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.0995,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1C(OC(C)=O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722313","spectrum_index":6954},{"adduct":"[2M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385366-01!(9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848494]","exact_mass":386.136,"inchikey":"LYUZYPKZQDYMEE-WDZFZDKYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":811.2357,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1C(OC(C)=O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722314","spectrum_index":6955},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385366-01!(9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848494]","exact_mass":386.136,"inchikey":"LYUZYPKZQDYMEE-WDZFZDKYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.1258,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1C(OC(C)=O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722315","spectrum_index":6956},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385366-01!(9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848494]","exact_mass":386.136,"inchikey":"LYUZYPKZQDYMEE-WDZFZDKYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.2615,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1C(OC(C)=O)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722316","spectrum_index":6957},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180835-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000846078]","exact_mass":400.246,"inchikey":"JZCRGJSEBZCNAR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.2426,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00005722317","spectrum_index":6958},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00180835-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000846078]","exact_mass":400.246,"inchikey":"JZCRGJSEBZCNAR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":220.1038,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00005722318","spectrum_index":6959},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180835-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based: Match]","exact_mass":400.246,"inchikey":"JZCRGJSEBZCNAR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.2532,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00005722319","spectrum_index":6960},{"adduct":"[M+Ca-H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180835-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000846078]","exact_mass":400.246,"inchikey":"JZCRGJSEBZCNAR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.2029,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00005722320","spectrum_index":6961},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180835-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000846078]","exact_mass":400.246,"inchikey":"JZCRGJSEBZCNAR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.2355,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00005722321","spectrum_index":6962},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180835-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000846078]","exact_mass":400.246,"inchikey":"JZCRGJSEBZCNAR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.2173,"smiles":"CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00005722322","spectrum_index":6963},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381159-01!2-[[3,21-dihydroxy-20-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosan-2-yl]amino]acetic acid [IIN-based: Match]","exact_mass":593.414,"inchikey":"BFJZLVDYMQIIMI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":594.4214,"smiles":"CC(O)C(CCCCCCCCCCCCCCCCC(O)C(C)NCC(O)=O)OC1OC(CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005722323","spectrum_index":6964},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381171-01![1-[[1-[1-[[1-(2,3-dihydroxypropoxy)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl] 2-[2-[2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoate [IIN-based on: CCMSLIB00000847994]","exact_mass":832.468,"inchikey":"OBKFQZNNFBXVJH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":436.2149,"smiles":"CC(C)C(O)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C(C)C)C(=O)NC(C(C)C)C(=O)OCC(O)CO","spectrum_id":"CCMSLIB00005722324","spectrum_index":6965},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381171-01![1-[[1-[1-[[1-(2,3-dihydroxypropoxy)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl] 2-[2-[2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoate [IIN-based on: CCMSLIB00000847994]","exact_mass":832.468,"inchikey":"OBKFQZNNFBXVJH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":850.5019,"smiles":"CC(C)C(O)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C(C)C)C(=O)NC(C(C)C)C(=O)OCC(O)CO","spectrum_id":"CCMSLIB00005722325","spectrum_index":6966},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381171-01![1-[[1-[1-[[1-(2,3-dihydroxypropoxy)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl] 2-[2-[2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoate [IIN-based on: CCMSLIB00000847994]","exact_mass":832.468,"inchikey":"OBKFQZNNFBXVJH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":815.4651,"smiles":"CC(C)C(O)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C(C)C)C(=O)NC(C(C)C)C(=O)OCC(O)CO","spectrum_id":"CCMSLIB00005722326","spectrum_index":6967},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381171-01![1-[[1-[1-[[1-(2,3-dihydroxypropoxy)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl] 2-[2-[2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoate [IIN-based on: CCMSLIB00000847994]","exact_mass":832.468,"inchikey":"OBKFQZNNFBXVJH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":855.4574,"smiles":"CC(C)C(O)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C(C)C)C(=O)NC(C(C)C)C(=O)OCC(O)CO","spectrum_id":"CCMSLIB00005722327","spectrum_index":6968},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381171-01![1-[[1-[1-[[1-(2,3-dihydroxypropoxy)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl] 2-[2-[2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoate [IIN-based on: CCMSLIB00000847994]","exact_mass":832.468,"inchikey":"OBKFQZNNFBXVJH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":871.4306,"smiles":"CC(C)C(O)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C(C)C)C(=O)NC(C(C)C)C(=O)OCC(O)CO","spectrum_id":"CCMSLIB00005722328","spectrum_index":6969},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381171-01![1-[[1-[1-[[1-(2,3-dihydroxypropoxy)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl] 2-[2-[2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoate [IIN-based: Match]","exact_mass":832.468,"inchikey":"OBKFQZNNFBXVJH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":833.4759,"smiles":"CC(C)C(O)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(C(C)C)C(=O)OC(C(C)C)C(=O)NC(C(C)C)C(=O)OCC(O)CO","spectrum_id":"CCMSLIB00005722329","spectrum_index":6970},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381175-01!3-hydroxy-2-[[3-[3-(3-hydroxy-6-methylheptanoyl)oxy-6-methylheptanoyl]oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based: Match]","exact_mass":559.372,"inchikey":"MWZPHNZNPKKSEI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":582.3612,"smiles":"CC(C)CCCCC(CC(=O)NC(CO)C(O)=O)OC(=O)CC(CCC(C)C)OC(=O)CC(O)CCC(C)C","spectrum_id":"CCMSLIB00005722330","spectrum_index":6971},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381175-01!3-hydroxy-2-[[3-[3-(3-hydroxy-6-methylheptanoyl)oxy-6-methylheptanoyl]oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based on: CCMSLIB00000848442]","exact_mass":559.372,"inchikey":"MWZPHNZNPKKSEI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":560.3795,"smiles":"CC(C)CCCCC(CC(=O)NC(CO)C(O)=O)OC(=O)CC(CCC(C)C)OC(=O)CC(O)CCC(C)C","spectrum_id":"CCMSLIB00005722331","spectrum_index":6972},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381175-01!3-hydroxy-2-[[3-[3-(3-hydroxy-6-methylheptanoyl)oxy-6-methylheptanoyl]oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based on: CCMSLIB00000848442]","exact_mass":559.372,"inchikey":"MWZPHNZNPKKSEI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":542.369,"smiles":"CC(C)CCCCC(CC(=O)NC(CO)C(O)=O)OC(=O)CC(CCC(C)C)OC(=O)CC(O)CCC(C)C","spectrum_id":"CCMSLIB00005722332","spectrum_index":6973},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381175-01!3-hydroxy-2-[[3-[3-(3-hydroxy-6-methylheptanoyl)oxy-6-methylheptanoyl]oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based on: CCMSLIB00000848442]","exact_mass":559.372,"inchikey":"MWZPHNZNPKKSEI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":604.3431,"smiles":"CC(C)CCCCC(CC(=O)NC(CO)C(O)=O)OC(=O)CC(CCC(C)C)OC(=O)CC(O)CCC(C)C","spectrum_id":"CCMSLIB00005722333","spectrum_index":6974},{"adduct":"[M+Ca-H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381175-01!3-hydroxy-2-[[3-[3-(3-hydroxy-6-methylheptanoyl)oxy-6-methylheptanoyl]oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based on: CCMSLIB00000848442]","exact_mass":559.372,"inchikey":"MWZPHNZNPKKSEI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":598.3266,"smiles":"CC(C)CCCCC(CC(=O)NC(CO)C(O)=O)OC(=O)CC(CCC(C)C)OC(=O)CC(O)CCC(C)C","spectrum_id":"CCMSLIB00005722334","spectrum_index":6975},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385384-01![(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate [IIN-based: Match]","exact_mass":562.35,"inchikey":"LKYNAQSYQLFTCM-KGCOOEROSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":580.3835,"smiles":"CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00005722335","spectrum_index":6976},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385384-01![(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate [IIN-based on: CCMSLIB00000848395]","exact_mass":562.35,"inchikey":"LKYNAQSYQLFTCM-KGCOOEROSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":601.3136,"smiles":"CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00005722336","spectrum_index":6977},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385384-01![(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate [IIN-based on: CCMSLIB00000848395]","exact_mass":562.35,"inchikey":"LKYNAQSYQLFTCM-KGCOOEROSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":585.34,"smiles":"CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","spectrum_id":"CCMSLIB00005722337","spectrum_index":6978},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381224-01!4-[2-[[4-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3,7-dihydroxy-6-methylheptanoic acid [IIN-based on: CCMSLIB00000847990]","exact_mass":659.411,"inchikey":"SNPUUTQIPHTWGL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":642.4077,"smiles":"CC(C)CC(NC(=O)C(NC(=O)C(NC(C)=O)C(C)C)C(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)CO)C(O)CC(O)=O","spectrum_id":"CCMSLIB00005722341","spectrum_index":6979},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381224-01!4-[2-[[4-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3,7-dihydroxy-6-methylheptanoic acid [IIN-based on: CCMSLIB00000847990]","exact_mass":659.411,"inchikey":"SNPUUTQIPHTWGL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.6864,"smiles":"CC(C)CC(NC(=O)C(NC(=O)C(NC(C)=O)C(C)C)C(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)CO)C(O)CC(O)=O","spectrum_id":"CCMSLIB00005722342","spectrum_index":6980},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381224-01!4-[2-[[4-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3,7-dihydroxy-6-methylheptanoic acid [IIN-based on: CCMSLIB00000847990]","exact_mass":659.411,"inchikey":"SNPUUTQIPHTWGL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":704.3819,"smiles":"CC(C)CC(NC(=O)C(NC(=O)C(NC(C)=O)C(C)C)C(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)CO)C(O)CC(O)=O","spectrum_id":"CCMSLIB00005722343","spectrum_index":6981},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381224-01!4-[2-[[4-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3,7-dihydroxy-6-methylheptanoic acid [IIN-based: Match]","exact_mass":659.411,"inchikey":"SNPUUTQIPHTWGL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":660.4182,"smiles":"CC(C)CC(NC(=O)C(NC(=O)C(NC(C)=O)C(C)C)C(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)CO)C(O)CC(O)=O","spectrum_id":"CCMSLIB00005722344","spectrum_index":6982},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381224-01!4-[2-[[4-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3,7-dihydroxy-6-methylheptanoic acid [IIN-based on: CCMSLIB00000847990]","exact_mass":659.411,"inchikey":"SNPUUTQIPHTWGL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":682.4003,"smiles":"CC(C)CC(NC(=O)C(NC(=O)C(NC(C)=O)C(C)C)C(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)CO)C(O)CC(O)=O","spectrum_id":"CCMSLIB00005722345","spectrum_index":6983},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169399-03!(2R,6R)-6-[(3R,10S,12S,13R,17R)-3-(2-carboxyacetyl)oxy-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid [IIN-based on: CCMSLIB00000845395]","exact_mass":572.371,"inchikey":"HMOMGSPWDYKCAH-CBLCVTABSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":617.3423,"smiles":"C[C@H](CCC(=C)[C@@H](C)C(O)=O)[C@H]1CCC2(C)C3=C(C[C@H](O)[C@]12C)[C@@]4(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)C4CC3","spectrum_id":"CCMSLIB00005722346","spectrum_index":6984},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169399-03!(2R,6R)-6-[(3R,10S,12S,13R,17R)-3-(2-carboxyacetyl)oxy-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid [IIN-based on: CCMSLIB00000845395]","exact_mass":572.371,"inchikey":"HMOMGSPWDYKCAH-CBLCVTABSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":590.4051,"smiles":"C[C@H](CCC(=C)[C@@H](C)C(O)=O)[C@H]1CCC2(C)C3=C(C[C@H](O)[C@]12C)[C@@]4(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)C4CC3","spectrum_id":"CCMSLIB00005722347","spectrum_index":6985},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169399-03!(2R,6R)-6-[(3R,10S,12S,13R,17R)-3-(2-carboxyacetyl)oxy-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid [IIN-based: Match]","exact_mass":572.371,"inchikey":"HMOMGSPWDYKCAH-CBLCVTABSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":555.3683,"smiles":"C[C@H](CCC(=C)[C@@H](C)C(O)=O)[C@H]1CCC2(C)C3=C(C[C@H](O)[C@]12C)[C@@]4(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)C4CC3","spectrum_id":"CCMSLIB00005722348","spectrum_index":6986},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385599-01!1-methyl-2-nonylquinolin-4-one [IIN-based on: CCMSLIB00000845108]","exact_mass":285.209,"inchikey":"XIGBBPQAXHSVSN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":571.4255,"smiles":"CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C","spectrum_id":"CCMSLIB00005722349","spectrum_index":6987},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385599-01!1-methyl-2-nonylquinolin-4-one [IIN-based: Match]","exact_mass":285.209,"inchikey":"XIGBBPQAXHSVSN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.2166,"smiles":"CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C","spectrum_id":"CCMSLIB00005722350","spectrum_index":6988},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385599-01!1-methyl-2-nonylquinolin-4-one [IIN-based on: CCMSLIB00000845108]","exact_mass":285.209,"inchikey":"XIGBBPQAXHSVSN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.4072,"smiles":"CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C","spectrum_id":"CCMSLIB00005722351","spectrum_index":6989},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095556-05!2-(4-methoxyphenyl)chromen-4-one [IIN-based on: CCMSLIB00000847204]","exact_mass":252.079,"inchikey":"OMICQBVLCVRFGN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.0678,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC=C3","spectrum_id":"CCMSLIB00005722352","spectrum_index":6990},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095556-05!2-(4-methoxyphenyl)chromen-4-one [IIN-based: Match]","exact_mass":252.079,"inchikey":"OMICQBVLCVRFGN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.086,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC=C3","spectrum_id":"CCMSLIB00005722354","spectrum_index":6991},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381318-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000845116]","exact_mass":638.351,"inchikey":"XHFZCGJKWBSHAG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":603.3376,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722355","spectrum_index":6992},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381318-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000845116]","exact_mass":638.351,"inchikey":"XHFZCGJKWBSHAG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":661.3405,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722356","spectrum_index":6993},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381318-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based: Match]","exact_mass":638.351,"inchikey":"XHFZCGJKWBSHAG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":639.3583,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722357","spectrum_index":6994},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381318-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000845116]","exact_mass":638.351,"inchikey":"XHFZCGJKWBSHAG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":658.3311,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722358","spectrum_index":6995},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381318-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000845116]","exact_mass":638.351,"inchikey":"XHFZCGJKWBSHAG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":656.3847,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722359","spectrum_index":6996},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381318-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000845116]","exact_mass":638.351,"inchikey":"XHFZCGJKWBSHAG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":621.3475,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722360","spectrum_index":6997},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381318-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000845116]","exact_mass":638.351,"inchikey":"XHFZCGJKWBSHAG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.1565,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722361","spectrum_index":6998},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381318-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000845116]","exact_mass":638.351,"inchikey":"XHFZCGJKWBSHAG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":677.3131,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722362","spectrum_index":6999},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385552-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847208]","exact_mass":386.137,"inchikey":"WXULKGXQMWVWMP-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.0997,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C(C)(C)O","spectrum_id":"CCMSLIB00005722363","spectrum_index":7000},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385552-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based: Match]","exact_mass":386.137,"inchikey":"WXULKGXQMWVWMP-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.144,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C(C)(C)O","spectrum_id":"CCMSLIB00005722364","spectrum_index":7001},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385552-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847208]","exact_mass":386.137,"inchikey":"WXULKGXQMWVWMP-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.2617,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C(C)(C)O","spectrum_id":"CCMSLIB00005722365","spectrum_index":7002},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385552-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847208]","exact_mass":386.137,"inchikey":"WXULKGXQMWVWMP-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.1332,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C(C)(C)O","spectrum_id":"CCMSLIB00005722366","spectrum_index":7003},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385552-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847208]","exact_mass":386.137,"inchikey":"WXULKGXQMWVWMP-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.126,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C(C)(C)O","spectrum_id":"CCMSLIB00005722367","spectrum_index":7004},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846625]","exact_mass":680.361,"inchikey":"BENIATCKWZLKMA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":719.324,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722368","spectrum_index":7005},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846625]","exact_mass":680.361,"inchikey":"BENIATCKWZLKMA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":703.3495,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722369","spectrum_index":7006},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846625]","exact_mass":680.361,"inchikey":"BENIATCKWZLKMA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":663.3582,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722370","spectrum_index":7007},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846625]","exact_mass":680.361,"inchikey":"BENIATCKWZLKMA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":698.3953,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722371","spectrum_index":7008},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846625]","exact_mass":680.361,"inchikey":"BENIATCKWZLKMA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":645.348,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722372","spectrum_index":7009},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based: Match]","exact_mass":680.361,"inchikey":"BENIATCKWZLKMA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":681.3692,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722373","spectrum_index":7010},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846625]","exact_mass":680.361,"inchikey":"BENIATCKWZLKMA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":360.1616,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722374","spectrum_index":7011},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846625]","exact_mass":680.361,"inchikey":"BENIATCKWZLKMA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":700.3416,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722375","spectrum_index":7012},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095690-03!(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000846617]","exact_mass":328.131,"inchikey":"RRHCDWLSHIIIIT-WZUFQYTHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":679.2506,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1CC2=C(OC1(C)C)C=CC3=C2OC(=O)C=C3","spectrum_id":"CCMSLIB00005722376","spectrum_index":7013},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095690-03!(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (Z)-2-methylbut-2-enoate [IIN-based: Match]","exact_mass":328.131,"inchikey":"RRHCDWLSHIIIIT-WZUFQYTHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.1383,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1CC2=C(OC1(C)C)C=CC3=C2OC(=O)C=C3","spectrum_id":"CCMSLIB00005722378","spectrum_index":7014},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381317-01!(E)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione [IIN-based: Match]","exact_mass":281.199,"inchikey":"LCDBRGPJMWXDGF-ONEGZZNKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.207,"smiles":"C\\\\C=C\\\\CCCCC(=O)C(C)C(=O)N1CCCC1CO","spectrum_id":"CCMSLIB00005722379","spectrum_index":7015},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381317-01!(E)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione [IIN-based on: CCMSLIB00000846613]","exact_mass":281.199,"inchikey":"LCDBRGPJMWXDGF-ONEGZZNKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":264.1959,"smiles":"C\\\\C=C\\\\CCCCC(=O)C(C)C(=O)N1CCCC1CO","spectrum_id":"CCMSLIB00005722380","spectrum_index":7016},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381317-01!(E)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione [IIN-based on: CCMSLIB00000846613]","exact_mass":281.199,"inchikey":"LCDBRGPJMWXDGF-ONEGZZNKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":304.1887,"smiles":"C\\\\C=C\\\\CCCCC(=O)C(C)C(=O)N1CCCC1CO","spectrum_id":"CCMSLIB00005722381","spectrum_index":7017},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381301-01![6-acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate [IIN-based on: CCMSLIB00000847103]","exact_mass":526.277,"inchikey":"DCZPAFXGNAJXHQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":565.2402,"smiles":"CC(C)CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1CC(OC(C)=O)C2(O)COC(=O)CC(C)C","spectrum_id":"CCMSLIB00005722382","spectrum_index":7018},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381301-01![6-acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate [IIN-based on: CCMSLIB00000847103]","exact_mass":526.277,"inchikey":"DCZPAFXGNAJXHQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1075.5441,"smiles":"CC(C)CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1CC(OC(C)=O)C2(O)COC(=O)CC(C)C","spectrum_id":"CCMSLIB00005722383","spectrum_index":7019},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381301-01![6-acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate [IIN-based on: CCMSLIB00000847103]","exact_mass":526.277,"inchikey":"DCZPAFXGNAJXHQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":549.2667,"smiles":"CC(C)CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1CC(OC(C)=O)C2(O)COC(=O)CC(C)C","spectrum_id":"CCMSLIB00005722384","spectrum_index":7020},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381301-01![6-acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate [IIN-based: Match]","exact_mass":526.277,"inchikey":"DCZPAFXGNAJXHQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":544.3116,"smiles":"CC(C)CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1CC(OC(C)=O)C2(O)COC(=O)CC(C)C","spectrum_id":"CCMSLIB00005722385","spectrum_index":7021},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381299-01!5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based: Match]","exact_mass":380.199,"inchikey":"LMEKIDFKWUPZGE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.2063,"smiles":"CC(C)(C=C)C1=CC2=C(OC1=O)C(=C3OC(C)(C)C=CC3=C2O)C(C)(C)C=C","spectrum_id":"CCMSLIB00005722386","spectrum_index":7022},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385555-01!4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol [IIN-based on: CCMSLIB00000848895]","exact_mass":424.225,"inchikey":"GBRZTUJCDFSIHM-KRWDZBQOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.1881,"smiles":"COC1=C(CC=C(C)C)C(O)=CC2=C1C[C@@H](CO2)C3=CC=C(O)C(CC=C(C)C)=C3O","spectrum_id":"CCMSLIB00005722387","spectrum_index":7023},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385555-01!4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol [IIN-based: Match]","exact_mass":424.225,"inchikey":"GBRZTUJCDFSIHM-KRWDZBQOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.2324,"smiles":"COC1=C(CC=C(C)C)C(O)=CC2=C1C[C@@H](CO2)C3=CC=C(O)C(CC=C(C)C)=C3O","spectrum_id":"CCMSLIB00005722388","spectrum_index":7024},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347754-02!(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate [IIN-based on: CCMSLIB00000848473]","exact_mass":398.137,"inchikey":"HITZIDGSAVZVQH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.126,"smiles":"COC1C=C(COC(=O)C2=CC=CC=C2)C(O)C(OC(=O)C3=CC=CC=C3)C1O","spectrum_id":"CCMSLIB00005722389","spectrum_index":7025},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347754-02!(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate [IIN-based on: CCMSLIB00000848473]","exact_mass":398.137,"inchikey":"HITZIDGSAVZVQH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":819.2618,"smiles":"COC1C=C(COC(=O)C2=CC=CC=C2)C(O)C(OC(=O)C3=CC=CC=C3)C1O","spectrum_id":"CCMSLIB00005722390","spectrum_index":7026},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347754-02!(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate [IIN-based on: CCMSLIB00000848473]","exact_mass":398.137,"inchikey":"HITZIDGSAVZVQH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.0998,"smiles":"COC1C=C(COC(=O)C2=CC=CC=C2)C(O)C(OC(=O)C3=CC=CC=C3)C1O","spectrum_id":"CCMSLIB00005722391","spectrum_index":7027},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347754-02!(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate [IIN-based: Match]","exact_mass":398.137,"inchikey":"HITZIDGSAVZVQH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.1438,"smiles":"COC1C=C(COC(=O)C2=CC=CC=C2)C(O)C(OC(=O)C3=CC=CC=C3)C1O","spectrum_id":"CCMSLIB00005722392","spectrum_index":7028},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347754-02!(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate [IIN-based on: CCMSLIB00000848473]","exact_mass":398.137,"inchikey":"HITZIDGSAVZVQH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.1335,"smiles":"COC1C=C(COC(=O)C2=CC=CC=C2)C(O)C(OC(=O)C3=CC=CC=C3)C1O","spectrum_id":"CCMSLIB00005722393","spectrum_index":7029},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385536-01!(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienamide [IIN-based on: CCMSLIB00000845102]","exact_mass":241.168,"inchikey":"PHCDULUANYZTRK-RMTFUQJTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":242.1752,"smiles":"CCC(C)(O)C(CO)NC(=O)C(\\\\C)=C\\\\C=C\\\\C","spectrum_id":"CCMSLIB00005722395","spectrum_index":7030},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385536-01!(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienamide [IIN-based: Match]","exact_mass":241.168,"inchikey":"PHCDULUANYZTRK-RMTFUQJTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":224.1646,"smiles":"CCC(C)(O)C(CO)NC(=O)C(\\\\C)=C\\\\C=C\\\\C","spectrum_id":"CCMSLIB00005722396","spectrum_index":7031},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385536-01!(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienamide [IIN-based on: CCMSLIB00000845102]","exact_mass":241.168,"inchikey":"PHCDULUANYZTRK-RMTFUQJTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":264.1572,"smiles":"CCC(C)(O)C(CO)NC(=O)C(\\\\C)=C\\\\C=C\\\\C","spectrum_id":"CCMSLIB00005722397","spectrum_index":7032},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381296-01![2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000848893]","exact_mass":398.136,"inchikey":"JLSIEPYLSSNFSK-PWHKKFIBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.1257,"smiles":"COC1=CC=C(\\\\C=C\\\\C(=O)OCC(O)COC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00005722398","spectrum_index":7033},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381296-01![2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000848893]","exact_mass":398.136,"inchikey":"JLSIEPYLSSNFSK-PWHKKFIBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":819.2619,"smiles":"COC1=CC=C(\\\\C=C\\\\C(=O)OCC(O)COC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00005722399","spectrum_index":7034},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381296-01![2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]","exact_mass":398.136,"inchikey":"JLSIEPYLSSNFSK-PWHKKFIBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":381.1331,"smiles":"COC1=CC=C(\\\\C=C\\\\C(=O)OCC(O)COC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)C=C1","spectrum_id":"CCMSLIB00005722400","spectrum_index":7035},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347689-02!3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based on: CCMSLIB00000848472]","exact_mass":332.022,"inchikey":"MOLWVPJZUNCMGV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":687.0325,"smiles":"COC1=CC(OC)=C2C(=O)OC(CC(O)C(Cl)Cl)=CC2=C1","spectrum_id":"CCMSLIB00005722401","spectrum_index":7036},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347689-02!3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based: Match]","exact_mass":332.022,"inchikey":"MOLWVPJZUNCMGV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.0293,"smiles":"COC1=CC(OC)=C2C(=O)OC(CC(O)C(Cl)Cl)=CC2=C1","spectrum_id":"CCMSLIB00005722402","spectrum_index":7037},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347689-02!3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based on: CCMSLIB00000848472]","exact_mass":332.022,"inchikey":"MOLWVPJZUNCMGV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.011,"smiles":"COC1=CC(OC)=C2C(=O)OC(CC(O)C(Cl)Cl)=CC2=C1","spectrum_id":"CCMSLIB00005722403","spectrum_index":7038},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179744-02!(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]","exact_mass":230.115,"inchikey":"YLHOHANRUSKHKO-YWVKMMECSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.1229,"smiles":"CCC[C@@H](O)[C@H](O)[C@@H]1CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005722405","spectrum_index":7039},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based: Match]","exact_mass":680.362,"inchikey":"BENIATCKWZLKMA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":698.3963,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722406","spectrum_index":7040},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846627]","exact_mass":680.362,"inchikey":"BENIATCKWZLKMA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":663.3591,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722407","spectrum_index":7041},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846627]","exact_mass":680.362,"inchikey":"BENIATCKWZLKMA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":703.3495,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722408","spectrum_index":7042},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381311-01! [IIN-based on: CCMSLIB00000846619]","exact_mass":350.079,"inchikey":"XMKCCNYPWIGJAO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":723.1469,"smiles":"OC1C=CC(O)C23OC12C(=O)C=CC34OC5=CC=CC6=C5C(O4)=CC=C6","spectrum_id":"CCMSLIB00005722409","spectrum_index":7043},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381311-01! [IIN-based: Match]","exact_mass":350.079,"inchikey":"XMKCCNYPWIGJAO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":368.1129,"smiles":"OC1C=CC(O)C23OC12C(=O)C=CC34OC5=CC=CC6=C5C(O4)=CC=C6","spectrum_id":"CCMSLIB00005722410","spectrum_index":7044},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385571-01![1,3,12-triacetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848377]","exact_mass":670.372,"inchikey":"XCYFMYRAJQOAQT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":693.3613,"smiles":"CCC(C)C(O)C(=O)OC1CC2C(C)(C)C(CC(OC(C)=O)C2(C)C3CC(OC(C)=O)C4(C)C(CC=C4C13C)C5=COC=C5)OC(C)=O","spectrum_id":"CCMSLIB00005722412","spectrum_index":7045},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385571-01![1,3,12-triacetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848377]","exact_mass":670.372,"inchikey":"XCYFMYRAJQOAQT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":709.3348,"smiles":"CCC(C)C(O)C(=O)OC1CC2C(C)(C)C(CC(OC(C)=O)C2(C)C3CC(OC(C)=O)C4(C)C(CC=C4C13C)C5=COC=C5)OC(C)=O","spectrum_id":"CCMSLIB00005722413","spectrum_index":7046},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385571-01![1,3,12-triacetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl] 2-hydroxy-3-methylpentanoate [IIN-based: Match]","exact_mass":670.372,"inchikey":"XCYFMYRAJQOAQT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":688.4057,"smiles":"CCC(C)C(O)C(=O)OC1CC2C(C)(C)C(CC(OC(C)=O)C2(C)C3CC(OC(C)=O)C4(C)C(CC=C4C13C)C5=COC=C5)OC(C)=O","spectrum_id":"CCMSLIB00005722414","spectrum_index":7047},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179823-03![14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate [IIN-based on: CCMSLIB00000846326]","exact_mass":900.435,"inchikey":"PKZLCDIEFSFXDK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":923.424,"smiles":"COC1CC(OC2CCC3(C)C(CCC4C3CCC5(C)C(C(CC45O)OC(C)=O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00005722415","spectrum_index":7048},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179823-03![14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate [IIN-based: Match]","exact_mass":900.435,"inchikey":"PKZLCDIEFSFXDK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":918.4689,"smiles":"COC1CC(OC2CCC3(C)C(CCC4C3CCC5(C)C(C(CC45O)OC(C)=O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00005722416","spectrum_index":7049},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00179823-03![14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate [IIN-based on: CCMSLIB00000846326]","exact_mass":900.435,"inchikey":"PKZLCDIEFSFXDK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":470.1983,"smiles":"COC1CC(OC2CCC3(C)C(CCC4C3CCC5(C)C(C(CC45O)OC(C)=O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00005722417","spectrum_index":7050},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380142-01!(E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-4-enamide [IIN-based: Match]","exact_mass":275.152,"inchikey":"ZECKKAHILSTZLB-HWKANZROSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.1594,"smiles":"CC(C)CNC(=O)CC\\\\C=C\\\\C1=CC2=C(OCO2)C=C1","spectrum_id":"CCMSLIB00005722418","spectrum_index":7051},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380142-01!(E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-4-enamide [IIN-based on: CCMSLIB00000846219]","exact_mass":275.152,"inchikey":"ZECKKAHILSTZLB-HWKANZROSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":551.3112,"smiles":"CC(C)CNC(=O)CC\\\\C=C\\\\C1=CC2=C(OCO2)C=C1","spectrum_id":"CCMSLIB00005722419","spectrum_index":7052},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380523-01![3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848265]","exact_mass":416.147,"inchikey":"QUSMURJIBTWAOP-WUXMJOGZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.1366,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC(OC(=O)C(\\\\C)=C\\\\C)C(C)(C)O)C3=C1C=CO3","spectrum_id":"CCMSLIB00005722420","spectrum_index":7053},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380523-01![3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848265]","exact_mass":416.147,"inchikey":"QUSMURJIBTWAOP-WUXMJOGZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.1544,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC(OC(=O)C(\\\\C)=C\\\\C)C(C)(C)O)C3=C1C=CO3","spectrum_id":"CCMSLIB00005722421","spectrum_index":7054},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380523-01![3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based: Match]","exact_mass":416.147,"inchikey":"QUSMURJIBTWAOP-WUXMJOGZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.144,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC(OC(=O)C(\\\\C)=C\\\\C)C(C)(C)O)C3=C1C=CO3","spectrum_id":"CCMSLIB00005722422","spectrum_index":7055},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380523-01![3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848265]","exact_mass":416.147,"inchikey":"QUSMURJIBTWAOP-WUXMJOGZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":855.2826,"smiles":"COC1=C2C=CC(=O)OC2=C(OCC(OC(=O)C(\\\\C)=C\\\\C)C(C)(C)O)C3=C1C=CO3","spectrum_id":"CCMSLIB00005722423","spectrum_index":7056},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169117-02!3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid [IIN-based on: CCMSLIB00000846783]","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-RFOFMGPBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.1697,"smiles":"C[C@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005722424","spectrum_index":7057},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169117-02!3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid [IIN-based: Match]","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-RFOFMGPBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.1802,"smiles":"C[C@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005722425","spectrum_index":7058},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169117-02!3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid [IIN-based on: CCMSLIB00000846783]","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-RFOFMGPBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":467.1441,"smiles":"C[C@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005722426","spectrum_index":7059},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169117-02!3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid [IIN-based on: CCMSLIB00000846783]","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-RFOFMGPBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.1621,"smiles":"C[C@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005722427","spectrum_index":7060},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane [IIN-based on: CCMSLIB00000846227]","exact_mass":432.215,"inchikey":"ZPINJJOPURFFNV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.2223,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C(OC)=C3","spectrum_id":"CCMSLIB00005722428","spectrum_index":7061},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane [IIN-based on: CCMSLIB00000846227]","exact_mass":432.215,"inchikey":"ZPINJJOPURFFNV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":887.4184,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C(OC)=C3","spectrum_id":"CCMSLIB00005722429","spectrum_index":7062},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane [IIN-based: Match]","exact_mass":432.215,"inchikey":"ZPINJJOPURFFNV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.2111,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C(OC)=C3","spectrum_id":"CCMSLIB00005722430","spectrum_index":7063},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane [IIN-based on: CCMSLIB00000846227]","exact_mass":432.215,"inchikey":"ZPINJJOPURFFNV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.2037,"smiles":"COC1=CC(=CC(OC)=C1OC)C2OC(C(C)C2C)C3=CC(OC)=C(OC)C(OC)=C3","spectrum_id":"CCMSLIB00005722431","spectrum_index":7064},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179941-03!3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one [IIN-based on: CCMSLIB00000847212]","exact_mass":346.142,"inchikey":"MQEOTHTYNCMSAN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.105,"smiles":"COC1=CC(OC)=C(C(=O)CCC2=CC(OC)=C(OC)C=C2)C(O)=C1","spectrum_id":"CCMSLIB00005722432","spectrum_index":7065},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179941-03!3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one [IIN-based on: CCMSLIB00000847212]","exact_mass":346.142,"inchikey":"MQEOTHTYNCMSAN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.1385,"smiles":"COC1=CC(OC)=C(C(=O)CCC2=CC(OC)=C(OC)C=C2)C(O)=C1","spectrum_id":"CCMSLIB00005722433","spectrum_index":7066},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179941-03!3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one [IIN-based on: CCMSLIB00000847212]","exact_mass":346.142,"inchikey":"MQEOTHTYNCMSAN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.1309,"smiles":"COC1=CC(OC)=C(C(=O)CCC2=CC(OC)=C(OC)C=C2)C(O)=C1","spectrum_id":"CCMSLIB00005722434","spectrum_index":7067},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179941-03!3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one [IIN-based: Match]","exact_mass":346.142,"inchikey":"MQEOTHTYNCMSAN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.149,"smiles":"COC1=CC(OC)=C(C(=O)CCC2=CC(OC)=C(OC)C=C2)C(O)=C1","spectrum_id":"CCMSLIB00005722435","spectrum_index":7068},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169117-02!3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid [IIN-based: Match]","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-RFOFMGPBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.1804,"smiles":"C[C@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005722436","spectrum_index":7069},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169117-02!3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid [IIN-based on: CCMSLIB00000846783]","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-RFOFMGPBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":467.1442,"smiles":"C[C@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005722437","spectrum_index":7070},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169117-02!3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid [IIN-based on: CCMSLIB00000846783]","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-RFOFMGPBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.1695,"smiles":"C[C@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005722438","spectrum_index":7071},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169117-02!3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid [IIN-based on: CCMSLIB00000846783]","exact_mass":422.173,"inchikey":"CEJSYHIZUAMEQV-RFOFMGPBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.162,"smiles":"C[C@H]1OC2=C(C(=O)[C@H]1C)C(O)=C3C=CC(C)(C)OC3=C2C(CC(O)=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005722439","spectrum_index":7072},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based: Match]","exact_mass":794.429,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.4366,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722440","spectrum_index":7073},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846563]","exact_mass":794.429,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":833.3915,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722441","spectrum_index":7074},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846563]","exact_mass":794.429,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":759.4158,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722442","spectrum_index":7075},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846563]","exact_mass":794.429,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":812.4636,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722443","spectrum_index":7076},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846563]","exact_mass":794.429,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.1952,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722444","spectrum_index":7077},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846563]","exact_mass":794.429,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":777.4263,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722445","spectrum_index":7078},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380570-01![(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-phenylprop-2-enoate [IIN-based on: CCMSLIB00000846346]","exact_mass":586.205,"inchikey":"OWWJIYCJJLVSON-DQLSKFBESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":606.1853,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)\\\\C=C\\\\C3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](OC(=O)\\\\C=C\\\\C4=CC=CC=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005722446","spectrum_index":7079},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380570-01![(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-phenylprop-2-enoate [IIN-based: Match]","exact_mass":586.205,"inchikey":"OWWJIYCJJLVSON-DQLSKFBESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":569.2013,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)\\\\C=C\\\\C3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](OC(=O)\\\\C=C\\\\C4=CC=CC=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005722448","spectrum_index":7080},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380570-01![(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-phenylprop-2-enoate [IIN-based on: CCMSLIB00000846346]","exact_mass":586.205,"inchikey":"OWWJIYCJJLVSON-DQLSKFBESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.1942,"smiles":"C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)\\\\C=C\\\\C3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](OC(=O)\\\\C=C\\\\C4=CC=CC=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005722449","spectrum_index":7081},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846567]","exact_mass":794.43,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":817.4193,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722450","spectrum_index":7082},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based: Match]","exact_mass":794.43,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":812.464,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722451","spectrum_index":7083},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846567]","exact_mass":794.43,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":833.3926,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722452","spectrum_index":7084},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846567]","exact_mass":794.43,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":777.4268,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722453","spectrum_index":7085},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846567]","exact_mass":794.43,"inchikey":"VLOGACFISZMMCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.1955,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722454","spectrum_index":7086},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179826-02!2-[3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":504.164,"inchikey":"ZLACPIJRVKLLJM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.1601,"smiles":"COC1=C2OC(=CC2=CC(=C1)C(O)CCOC3OC(CO)C(O)C(O)C3O)C4=CC5=C(OCO5)C=C4","spectrum_id":"CCMSLIB00005722455","spectrum_index":7087},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179826-02!2-[3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000848288]","exact_mass":504.164,"inchikey":"ZLACPIJRVKLLJM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":527.1533,"smiles":"COC1=C2OC(=CC2=CC(=C1)C(O)CCOC3OC(CO)C(O)C(O)C3O)C4=CC5=C(OCO5)C=C4","spectrum_id":"CCMSLIB00005722456","spectrum_index":7088},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380135-01!(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione [IIN-based: Match]","exact_mass":280.131,"inchikey":"IRPFOXRBPHCCTG-CZLFTNFUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.1649,"smiles":"C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(C)(O)[C@@]13CCC(=O)O3","spectrum_id":"CCMSLIB00005722457","spectrum_index":7089},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380135-01!(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione [IIN-based on: CCMSLIB00000846769]","exact_mass":280.131,"inchikey":"IRPFOXRBPHCCTG-CZLFTNFUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":583.2511,"smiles":"C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(C)(O)[C@@]13CCC(=O)O3","spectrum_id":"CCMSLIB00005722459","spectrum_index":7090},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380127-01!5,6-dibenzoyloxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [IIN-based on: CCMSLIB00000846555]","exact_mass":600.184,"inchikey":"KNKHXYYGNZZSEJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.073,"smiles":"CC1C(OC(=O)C2=CC=CC=C2)C(OC(=O)C3=CC=CC=C3)C4C1C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(O)=O","spectrum_id":"CCMSLIB00005722460","spectrum_index":7091},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380127-01!5,6-dibenzoyloxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [IIN-based on: CCMSLIB00000846555]","exact_mass":600.184,"inchikey":"KNKHXYYGNZZSEJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":623.1737,"smiles":"CC1C(OC(=O)C2=CC=CC=C2)C(OC(=O)C3=CC=CC=C3)C4C1C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(O)=O","spectrum_id":"CCMSLIB00005722461","spectrum_index":7092},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380127-01!5,6-dibenzoyloxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [IIN-based: Match]","exact_mass":600.184,"inchikey":"KNKHXYYGNZZSEJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":601.1911,"smiles":"CC1C(OC(=O)C2=CC=CC=C2)C(OC(=O)C3=CC=CC=C3)C4C1C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(O)=O","spectrum_id":"CCMSLIB00005722462","spectrum_index":7093},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347555-02!2-(21-amino-3,20-dihydroxydocosan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000845505]","exact_mass":535.409,"inchikey":"FZSYYVOKNJZJTF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":558.3978,"smiles":"CC(N)C(O)CCCCCCCCCCCCCCCCC(O)C(C)OC1OC(CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005722463","spectrum_index":7094},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347555-02!2-(21-amino-3,20-dihydroxydocosan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":535.409,"inchikey":"FZSYYVOKNJZJTF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.4159,"smiles":"CC(N)C(O)CCCCCCCCCCCCCCCCC(O)C(C)OC1OC(CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005722464","spectrum_index":7095},{"adduct":"[M+Na+H]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00347555-02!2-(21-amino-3,20-dihydroxydocosan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000845505]","exact_mass":535.409,"inchikey":"FZSYYVOKNJZJTF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.7024,"smiles":"CC(N)C(O)CCCCCCCCCCCCCCCCC(O)C(C)OC1OC(CO)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005722465","spectrum_index":7096},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380192-01! [IIN-based on: CCMSLIB00000847542]","exact_mass":541.231,"inchikey":"LGGJSHGJCMYMKU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1105.4514,"smiles":"CC(=O)OCC1(C)C(CCC2(C)C1CC(O)C3(C)OC4=C(C(O)C23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00005722466","spectrum_index":7097},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380192-01! [IIN-based on: CCMSLIB00000847542]","exact_mass":541.231,"inchikey":"LGGJSHGJCMYMKU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":524.2281,"smiles":"CC(=O)OCC1(C)C(CCC2(C)C1CC(O)C3(C)OC4=C(C(O)C23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00005722467","spectrum_index":7098},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380192-01! [IIN-based on: CCMSLIB00000847542]","exact_mass":541.231,"inchikey":"LGGJSHGJCMYMKU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":564.2205,"smiles":"CC(=O)OCC1(C)C(CCC2(C)C1CC(O)C3(C)OC4=C(C(O)C23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00005722469","spectrum_index":7099},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380192-01! [IIN-based: Match]","exact_mass":541.231,"inchikey":"LGGJSHGJCMYMKU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":542.2387,"smiles":"CC(=O)OCC1(C)C(CCC2(C)C1CC(O)C3(C)OC4=C(C(O)C23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00005722470","spectrum_index":7100},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347618-02!3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide [IIN-based on: CCMSLIB00000849085]","exact_mass":321.194,"inchikey":"AZUKRZGSIRBRCH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":304.1911,"smiles":"CC(C)CC(CO)NC(=O)CC(O)CC(=O)CC1=CC=CC=C1","spectrum_id":"CCMSLIB00005722471","spectrum_index":7101},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347618-02!3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide [IIN-based: Match]","exact_mass":321.194,"inchikey":"AZUKRZGSIRBRCH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.1836,"smiles":"CC(C)CC(CO)NC(=O)CC(O)CC(=O)CC1=CC=CC=C1","spectrum_id":"CCMSLIB00005722472","spectrum_index":7102},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347618-02!3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide [IIN-based on: CCMSLIB00000849085]","exact_mass":321.194,"inchikey":"AZUKRZGSIRBRCH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.1802,"smiles":"CC(C)CC(CO)NC(=O)CC(O)CC(=O)CC1=CC=CC=C1","spectrum_id":"CCMSLIB00005722473","spectrum_index":7103},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347618-02!3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide [IIN-based on: CCMSLIB00000849085]","exact_mass":321.194,"inchikey":"AZUKRZGSIRBRCH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":322.2015,"smiles":"CC(C)CC(CO)NC(=O)CC(O)CC(=O)CC1=CC=CC=C1","spectrum_id":"CCMSLIB00005722474","spectrum_index":7104},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00347618-02!3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide [IIN-based on: CCMSLIB00000849085]","exact_mass":321.194,"inchikey":"AZUKRZGSIRBRCH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.1751,"smiles":"CC(C)CC(CO)NC(=O)CC(O)CC(=O)CC1=CC=CC=C1","spectrum_id":"CCMSLIB00005722475","spectrum_index":7105},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347618-02!3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide [IIN-based on: CCMSLIB00000849085]","exact_mass":321.194,"inchikey":"AZUKRZGSIRBRCH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":665.3776,"smiles":"CC(C)CC(CO)NC(=O)CC(O)CC(=O)CC1=CC=CC=C1","spectrum_id":"CCMSLIB00005722476","spectrum_index":7106},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347618-02!3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide [IIN-based on: CCMSLIB00000849085]","exact_mass":321.194,"inchikey":"AZUKRZGSIRBRCH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":360.1573,"smiles":"CC(C)CC(CO)NC(=O)CC(O)CC(=O)CC1=CC=CC=C1","spectrum_id":"CCMSLIB00005722477","spectrum_index":7107},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380212-01![3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate [IIN-based on: CCMSLIB00000845935]","exact_mass":462.21,"inchikey":"JGMROMZJBQKIDK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":485.1998,"smiles":"CC1=C(C(=O)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(C)(C)CCC1","spectrum_id":"CCMSLIB00005722478","spectrum_index":7108},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380212-01![3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate [IIN-based: Match]","exact_mass":462.21,"inchikey":"JGMROMZJBQKIDK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":480.2442,"smiles":"CC1=C(C(=O)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(C)(C)CCC1","spectrum_id":"CCMSLIB00005722479","spectrum_index":7109},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169550-02!(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide [IIN-based on: CCMSLIB00000845924]","exact_mass":313.132,"inchikey":"NPNNKDMSXVRADT-WEVVVXLNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":649.2523,"smiles":"COC1=C(O)C=CC(\\\\C=C\\\\C(=O)NCCC2=CC=C(O)C=C2)=C1","spectrum_id":"CCMSLIB00005722481","spectrum_index":7110},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169550-02!(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide [IIN-based: Match]","exact_mass":313.132,"inchikey":"NPNNKDMSXVRADT-WEVVVXLNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.1386,"smiles":"COC1=C(O)C=CC(\\\\C=C\\\\C(=O)NCCC2=CC=C(O)C=C2)=C1","spectrum_id":"CCMSLIB00005722482","spectrum_index":7111},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169550-02!(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide [IIN-based on: CCMSLIB00000845924]","exact_mass":313.132,"inchikey":"NPNNKDMSXVRADT-WEVVVXLNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":336.1207,"smiles":"COC1=C(O)C=CC(\\\\C=C\\\\C(=O)NCCC2=CC=C(O)C=C2)=C1","spectrum_id":"CCMSLIB00005722483","spectrum_index":7112},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380221-01!1-[4-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol [IIN-based on: CCMSLIB00000847813]","exact_mass":374.173,"inchikey":"CAXDNOAMAQQQMX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.17,"smiles":"COC1=CC(CCC2=CC=C(OCC(O)C(C)(C)O)C=C2)=CC3=C1OCO3","spectrum_id":"CCMSLIB00005722484","spectrum_index":7113},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380221-01!1-[4-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol [IIN-based on: CCMSLIB00000847813]","exact_mass":374.173,"inchikey":"CAXDNOAMAQQQMX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.1364,"smiles":"COC1=CC(CCC2=CC=C(OCC(O)C(C)(C)O)C=C2)=CC3=C1OCO3","spectrum_id":"CCMSLIB00005722485","spectrum_index":7114},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380221-01!1-[4-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol [IIN-based: Match]","exact_mass":374.173,"inchikey":"CAXDNOAMAQQQMX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":392.2071,"smiles":"COC1=CC(CCC2=CC=C(OCC(O)C(C)(C)O)C=C2)=CC3=C1OCO3","spectrum_id":"CCMSLIB00005722486","spectrum_index":7115},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380225-01!3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid [IIN-based on: CCMSLIB00000847814]","exact_mass":376.152,"inchikey":"HOXFNEPVXKQDSO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.1491,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(C=C2)C(O)=O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00005722487","spectrum_index":7116},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380225-01!3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid [IIN-based on: CCMSLIB00000847814]","exact_mass":376.152,"inchikey":"HOXFNEPVXKQDSO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.1862,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(C=C2)C(O)=O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00005722488","spectrum_index":7117},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380225-01!3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid [IIN-based on: CCMSLIB00000847814]","exact_mass":376.152,"inchikey":"HOXFNEPVXKQDSO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.1416,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(C=C2)C(O)=O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00005722489","spectrum_index":7118},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380225-01!3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid [IIN-based: Match]","exact_mass":376.152,"inchikey":"HOXFNEPVXKQDSO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.1597,"smiles":"COC1=CC(CC(C)OC2=C(OC)C=C(C=C2)C(O)=O)=CC(OC)=C1OC","spectrum_id":"CCMSLIB00005722490","spectrum_index":7119},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380220-01!3-[14-hydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one [IIN-based: Match]","exact_mass":858.425,"inchikey":"GZVMBXDQUQRICT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":876.4589,"smiles":"COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00005722491","spectrum_index":7120},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380220-01!3-[14-hydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one [IIN-based on: CCMSLIB00000847818]","exact_mass":858.425,"inchikey":"GZVMBXDQUQRICT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.1932,"smiles":"COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00005722492","spectrum_index":7121},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380220-01!3-[14-hydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one [IIN-based on: CCMSLIB00000847818]","exact_mass":858.425,"inchikey":"GZVMBXDQUQRICT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":881.4139,"smiles":"COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O","spectrum_id":"CCMSLIB00005722493","spectrum_index":7122},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380190-01!3,15,21-tris[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]docosanoic acid [IIN-based on: CCMSLIB00000848245]","exact_mass":874.477,"inchikey":"ZPUOWQZPFGUNIS-JIKMCCCNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":897.4663,"smiles":"CC(CCCCCC(CCCCCCCCCCCC(CC(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00005722494","spectrum_index":7123},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380190-01!3,15,21-tris[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]docosanoic acid [IIN-based on: CCMSLIB00000848245]","exact_mass":874.477,"inchikey":"ZPUOWQZPFGUNIS-JIKMCCCNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.2196,"smiles":"CC(CCCCCC(CCCCCCCCCCCC(CC(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00005722495","spectrum_index":7124},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380190-01!3,15,21-tris[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]docosanoic acid [IIN-based: Match]","exact_mass":874.477,"inchikey":"ZPUOWQZPFGUNIS-JIKMCCCNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":892.5113,"smiles":"CC(CCCCCC(CCCCCCCCCCCC(CC(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00005722496","spectrum_index":7125},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347692-02!5,6-dibenzoyloxy-7-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [IIN-based: Match]","exact_mass":644.175,"inchikey":"JQOQJRICPWKBGN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":645.182,"smiles":"COC(=O)C1C(OC(=O)C2=CC=CC=C2)C(OC(=O)C3=CC=CC=C3)C4C1C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(O)=O","spectrum_id":"CCMSLIB00005722497","spectrum_index":7126},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347692-02!5,6-dibenzoyloxy-7-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [IIN-based on: CCMSLIB00000847717]","exact_mass":644.175,"inchikey":"JQOQJRICPWKBGN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":627.1717,"smiles":"COC(=O)C1C(OC(=O)C2=CC=CC=C2)C(OC(=O)C3=CC=CC=C3)C4C1C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(O)=O","spectrum_id":"CCMSLIB00005722498","spectrum_index":7127},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347692-02!5,6-dibenzoyloxy-7-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [IIN-based on: CCMSLIB00000847717]","exact_mass":644.175,"inchikey":"JQOQJRICPWKBGN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":667.1639,"smiles":"COC(=O)C1C(OC(=O)C2=CC=CC=C2)C(OC(=O)C3=CC=CC=C3)C4C1C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(O)=O","spectrum_id":"CCMSLIB00005722499","spectrum_index":7128},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380231-01!5-[6-carboxy-3-[6-carboxy-4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-6-[[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxyoxane-2-carboxylic acid [IIN-based on: CCMSLIB00000849088]","exact_mass":1146.51,"inchikey":"MNGUOJFSPDEZLA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.2355,"smiles":"CC1OC(OC2C(O)C(O)C(OC2OC3C(O)C(O)C(OC3OC4C(O)C(O)C(OC4OC5CCC6(C)C(CCC7(C)C6CC=C8C9CC(C)(CCC9(C)CCC78C)C(O)=O)C5(C)CO)C(O)=O)C(O)=O)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005722500","spectrum_index":7129},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380231-01!5-[6-carboxy-3-[6-carboxy-4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-6-[[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxyoxane-2-carboxylic acid [IIN-based on: CCMSLIB00000849088]","exact_mass":1146.51,"inchikey":"MNGUOJFSPDEZLA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1169.4977,"smiles":"CC1OC(OC2C(O)C(O)C(OC2OC3C(O)C(O)C(OC3OC4C(O)C(O)C(OC4OC5CCC6(C)C(CCC7(C)C6CC=C8C9CC(C)(CCC9(C)CCC78C)C(O)=O)C5(C)CO)C(O)=O)C(O)=O)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005722501","spectrum_index":7130},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380231-01!5-[6-carboxy-3-[6-carboxy-4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-6-[[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxyoxane-2-carboxylic acid [IIN-based: Match]","exact_mass":1146.51,"inchikey":"MNGUOJFSPDEZLA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1147.5171,"smiles":"CC1OC(OC2C(O)C(O)C(OC2OC3C(O)C(O)C(OC3OC4C(O)C(O)C(OC4OC5CCC6(C)C(CCC7(C)C6CC=C8C9CC(C)(CCC9(C)CCC78C)C(O)=O)C5(C)CO)C(O)=O)C(O)=O)C(O)=O)C(O)C(O)C1O","spectrum_id":"CCMSLIB00005722502","spectrum_index":7131},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380167-01!3-(4-hydroxy-3-methoxyphenyl)propyl 3-(4-hydroxyphenyl)propanoate [IIN-based on: CCMSLIB00000845015]","exact_mass":330.147,"inchikey":"ZXQHQUXJMNGVJP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.1541,"smiles":"COC1=CC(CCCOC(=O)CCC2=CC=C(O)C=C2)=CC=C1O","spectrum_id":"CCMSLIB00005722503","spectrum_index":7132},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380167-01!3-(4-hydroxy-3-methoxyphenyl)propyl 3-(4-hydroxyphenyl)propanoate [IIN-based: Match]","exact_mass":330.147,"inchikey":"ZXQHQUXJMNGVJP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":348.1809,"smiles":"COC1=CC(CCCOC(=O)CCC2=CC=C(O)C=C2)=CC=C1O","spectrum_id":"CCMSLIB00005722504","spectrum_index":7133},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380193-01!16-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)-3-(3-hydroxyoctanoyloxy)oxan-2-yl]oxy-6-(acetyloxymethyl)-3,4-dihydroxyoxan-2-yl]oxy-3,15-dihydroxyhexadecanoic acid [IIN-based on: CCMSLIB00000847546]","exact_mass":854.451,"inchikey":"AERAMEUFSDVACO-BNDUWSGGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.2063,"smiles":"CCCCCC(O)CC(=O)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCC(O)CCCCCCCCCCCC(O)CC(O)=O)O[C@@H]2COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)=O","spectrum_id":"CCMSLIB00005722506","spectrum_index":7134},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380193-01!16-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)-3-(3-hydroxyoctanoyloxy)oxan-2-yl]oxy-6-(acetyloxymethyl)-3,4-dihydroxyoxan-2-yl]oxy-3,15-dihydroxyhexadecanoic acid [IIN-based: Match]","exact_mass":854.451,"inchikey":"AERAMEUFSDVACO-BNDUWSGGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":872.4847,"smiles":"CCCCCC(O)CC(=O)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCC(O)CCCCCCCCCCCC(O)CC(O)=O)O[C@@H]2COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)=O","spectrum_id":"CCMSLIB00005722507","spectrum_index":7135},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380193-01!16-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)-3-(3-hydroxyoctanoyloxy)oxan-2-yl]oxy-6-(acetyloxymethyl)-3,4-dihydroxyoxan-2-yl]oxy-3,15-dihydroxyhexadecanoic acid [IIN-based on: CCMSLIB00000847546]","exact_mass":854.451,"inchikey":"AERAMEUFSDVACO-BNDUWSGGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":877.4402,"smiles":"CCCCCC(O)CC(=O)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCC(O)CCCCCCCCCCCC(O)CC(O)=O)O[C@@H]2COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)=O","spectrum_id":"CCMSLIB00005722508","spectrum_index":7136},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015645-08!N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide [IIN-based on: CCMSLIB00000848580]","exact_mass":307.215,"inchikey":"XJQPQKLURWNAAH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":637.4188,"smiles":"COC1=C(O)C=CC(CNC(=O)CCCCCCC(C)C)=C1","spectrum_id":"CCMSLIB00005722509","spectrum_index":7137},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015645-08!N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide [IIN-based on: CCMSLIB00000848580]","exact_mass":307.215,"inchikey":"XJQPQKLURWNAAH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":615.4362,"smiles":"COC1=C(O)C=CC(CNC(=O)CCCCCCC(C)C)=C1","spectrum_id":"CCMSLIB00005722510","spectrum_index":7138},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00015645-08!N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide [IIN-based: Match]","exact_mass":307.215,"inchikey":"XJQPQKLURWNAAH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.2222,"smiles":"COC1=C(O)C=CC(CNC(=O)CCCCCCC(C)C)=C1","spectrum_id":"CCMSLIB00005722511","spectrum_index":7139},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00015645-08!N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide [IIN-based on: CCMSLIB00000848580]","exact_mass":307.215,"inchikey":"XJQPQKLURWNAAH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.1954,"smiles":"COC1=C(O)C=CC(CNC(=O)CCCCCCC(C)C)=C1","spectrum_id":"CCMSLIB00005722512","spectrum_index":7140},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347534-02![2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate [IIN-based: Match]","exact_mass":706.377,"inchikey":"YPZBTERWDWUANF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":724.411,"smiles":"CCCCCCCCCC(=O)OC1C(OC2(CO)OC(CO)C(O)C2OC(=O)C(C)C)OC(CO)C(OC(=O)C(C)C)C1OC(=O)C(C)C","spectrum_id":"CCMSLIB00005722513","spectrum_index":7141},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347534-02![2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate [IIN-based on: CCMSLIB00000848581]","exact_mass":706.377,"inchikey":"YPZBTERWDWUANF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":745.3385,"smiles":"CCCCCCCCCC(=O)OC1C(OC2(CO)OC(CO)C(O)C2OC(=O)C(C)C)OC(CO)C(OC(=O)C(C)C)C1OC(=O)C(C)C","spectrum_id":"CCMSLIB00005722514","spectrum_index":7142},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00347534-02![2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate [IIN-based on: CCMSLIB00000848581]","exact_mass":706.377,"inchikey":"YPZBTERWDWUANF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.1695,"smiles":"CCCCCCCCCC(=O)OC1C(OC2(CO)OC(CO)C(O)C2OC(=O)C(C)C)OC(CO)C(OC(=O)C(C)C)C1OC(=O)C(C)C","spectrum_id":"CCMSLIB00005722515","spectrum_index":7143},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00347534-02![2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate [IIN-based on: CCMSLIB00000848581]","exact_mass":706.377,"inchikey":"YPZBTERWDWUANF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":726.3566,"smiles":"CCCCCCCCCC(=O)OC1C(OC2(CO)OC(CO)C(O)C2OC(=O)C(C)C)OC(CO)C(OC(=O)C(C)C)C1OC(=O)C(C)C","spectrum_id":"CCMSLIB00005722516","spectrum_index":7144},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347534-02![2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate [IIN-based on: CCMSLIB00000848581]","exact_mass":706.377,"inchikey":"YPZBTERWDWUANF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":729.3663,"smiles":"CCCCCCCCCC(=O)OC1C(OC2(CO)OC(CO)C(O)C2OC(=O)C(C)C)OC(CO)C(OC(=O)C(C)C)C1OC(=O)C(C)C","spectrum_id":"CCMSLIB00005722517","spectrum_index":7145},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381416-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000847843]","exact_mass":510.267,"inchikey":"NJYYDRBRLSOFNG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.2537,"smiles":"CCC(C)C(O)C(=O)OC(C(C)C)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722518","spectrum_index":7146},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381416-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based: Match]","exact_mass":510.267,"inchikey":"NJYYDRBRLSOFNG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":511.2747,"smiles":"CCC(C)C(O)C(=O)OC(C(C)C)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722519","spectrum_index":7147},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381416-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000847843]","exact_mass":510.267,"inchikey":"NJYYDRBRLSOFNG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":533.2566,"smiles":"CCC(C)C(O)C(=O)OC(C(C)C)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722520","spectrum_index":7148},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381416-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000847843]","exact_mass":510.267,"inchikey":"NJYYDRBRLSOFNG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":528.301,"smiles":"CCC(C)C(O)C(=O)OC(C(C)C)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722521","spectrum_index":7149},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381416-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000847843]","exact_mass":510.267,"inchikey":"NJYYDRBRLSOFNG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":549.2301,"smiles":"CCC(C)C(O)C(=O)OC(C(C)C)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722522","spectrum_index":7150},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381416-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000847843]","exact_mass":510.267,"inchikey":"NJYYDRBRLSOFNG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.1143,"smiles":"CCC(C)C(O)C(=O)OC(C(C)C)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722523","spectrum_index":7151},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381416-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000847843]","exact_mass":510.267,"inchikey":"NJYYDRBRLSOFNG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.2641,"smiles":"CCC(C)C(O)C(=O)OC(C(C)C)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722524","spectrum_index":7152},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385087-01!3-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":556.137,"inchikey":"QOPUSVUZHPIYER-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":557.1443,"smiles":"COC1=CC=C(C=C1)C2OC3=CC(O)=CC(O)=C3C(=O)C2C4C(OC5=CC(O)=CC(O)=C5C4=O)C6=CC=C(O)C=C6","spectrum_id":"CCMSLIB00005722525","spectrum_index":7153},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381346-01!3-(2,4-dihydroxypentyl)-8-hydroxy-6-methoxyisochromen-1-one [IIN-based on: CCMSLIB00000847387]","exact_mass":294.11,"inchikey":"CXVPYCSNJZJTRF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.1071,"smiles":"COC1=CC(O)=C2C(=O)OC(CC(O)CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00005722526","spectrum_index":7154},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381346-01!3-(2,4-dihydroxypentyl)-8-hydroxy-6-methoxyisochromen-1-one [IIN-based on: CCMSLIB00000847387]","exact_mass":294.11,"inchikey":"CXVPYCSNJZJTRF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.0966,"smiles":"COC1=CC(O)=C2C(=O)OC(CC(O)CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00005722527","spectrum_index":7155},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381346-01!3-(2,4-dihydroxypentyl)-8-hydroxy-6-methoxyisochromen-1-one [IIN-based: Match]","exact_mass":294.11,"inchikey":"CXVPYCSNJZJTRF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.1176,"smiles":"COC1=CC(O)=C2C(=O)OC(CC(O)CC(C)O)=CC2=C1","spectrum_id":"CCMSLIB00005722529","spectrum_index":7156},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385070-01! [IIN-based: Match]","exact_mass":416.22,"inchikey":"JEJFTTRHGBKKEI-OKILXGFUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.2537,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(OC)C(OC)=C(OC)C=C3C[C@H](C)[C@H](C)C2","spectrum_id":"CCMSLIB00005722530","spectrum_index":7157},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385070-01! [IIN-based on: CCMSLIB00000848875]","exact_mass":416.22,"inchikey":"JEJFTTRHGBKKEI-OKILXGFUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":855.4284,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(OC)C(OC)=C(OC)C=C3C[C@H](C)[C@H](C)C2","spectrum_id":"CCMSLIB00005722531","spectrum_index":7158},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385070-01! [IIN-based on: CCMSLIB00000848875]","exact_mass":416.22,"inchikey":"JEJFTTRHGBKKEI-OKILXGFUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.2273,"smiles":"COC1=CC2=C(C(OC)=C1OC)C3=C(OC)C(OC)=C(OC)C=C3C[C@H](C)[C@H](C)C2","spectrum_id":"CCMSLIB00005722532","spectrum_index":7159},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180218-02! [IIN-based on: CCMSLIB00000847631]","exact_mass":583.242,"inchikey":"PMMQOFWSZRQWEV-RVTXXDJVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":566.2389,"smiles":"CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]3(C)OC4=C([C@H](O)[C@H]23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00005722533","spectrum_index":7160},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180218-02! [IIN-based on: CCMSLIB00000847631]","exact_mass":583.242,"inchikey":"PMMQOFWSZRQWEV-RVTXXDJVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1189.4713,"smiles":"CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]3(C)OC4=C([C@H](O)[C@H]23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00005722534","spectrum_index":7161},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180218-02! [IIN-based on: CCMSLIB00000847631]","exact_mass":583.242,"inchikey":"PMMQOFWSZRQWEV-RVTXXDJVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":606.231,"smiles":"CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]3(C)OC4=C([C@H](O)[C@H]23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00005722535","spectrum_index":7162},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180218-02! [IIN-based: Match]","exact_mass":583.242,"inchikey":"PMMQOFWSZRQWEV-RVTXXDJVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":584.2493,"smiles":"CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]3(C)OC4=C([C@H](O)[C@H]23)C(=O)OC(=C4)C5=CN=CC=C5)OC(C)=O","spectrum_id":"CCMSLIB00005722536","spectrum_index":7163},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based on: CCMSLIB00000847629]","exact_mass":577.347,"inchikey":"XIYSEKITPHTMJT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.6542,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00005722537","spectrum_index":7164},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based on: CCMSLIB00000847629]","exact_mass":577.347,"inchikey":"XIYSEKITPHTMJT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1177.6835,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00005722538","spectrum_index":7165},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match]","exact_mass":577.347,"inchikey":"XIYSEKITPHTMJT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":578.3542,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00005722539","spectrum_index":7166},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based on: CCMSLIB00000847629]","exact_mass":577.347,"inchikey":"XIYSEKITPHTMJT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":616.3096,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00005722540","spectrum_index":7167},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based on: CCMSLIB00000847629]","exact_mass":577.347,"inchikey":"XIYSEKITPHTMJT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":600.3361,"smiles":"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00005722541","spectrum_index":7168},{"adduct":"[M+Ca-H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380158-01!2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoic acid [IIN-based on: CCMSLIB00000845729]","exact_mass":559.31,"inchikey":"YBUWNKPGCLTWJO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":598.266,"smiles":"CC(C)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00005722542","spectrum_index":7169},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380158-01!2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoic acid [IIN-based on: CCMSLIB00000845729]","exact_mass":559.31,"inchikey":"YBUWNKPGCLTWJO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":604.2798,"smiles":"CC(C)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00005722543","spectrum_index":7170},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380158-01!2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoic acid [IIN-based: Match]","exact_mass":559.31,"inchikey":"YBUWNKPGCLTWJO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":560.3176,"smiles":"CC(C)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00005722544","spectrum_index":7171},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380158-01!2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoic acid [IIN-based on: CCMSLIB00000845729]","exact_mass":559.31,"inchikey":"YBUWNKPGCLTWJO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":582.2998,"smiles":"CC(C)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00005722545","spectrum_index":7172},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380158-01!2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoic acid [IIN-based on: CCMSLIB00000845729]","exact_mass":559.31,"inchikey":"YBUWNKPGCLTWJO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":542.307,"smiles":"CC(C)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00005722546","spectrum_index":7173},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380158-01!2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoic acid [IIN-based on: CCMSLIB00000845729]","exact_mass":559.31,"inchikey":"YBUWNKPGCLTWJO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.636,"smiles":"CC(C)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(C)C)C(C)C)C(O)=O","spectrum_id":"CCMSLIB00005722547","spectrum_index":7174},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00381435-01!13-dodecan-2-yl-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000848775]","exact_mass":541.372,"inchikey":"PVAWVKQDYYTSIE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":290.6669,"smiles":"CCCCCCCCCCC(C)C1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722548","spectrum_index":7175},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381435-01!13-dodecan-2-yl-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000848775]","exact_mass":541.372,"inchikey":"PVAWVKQDYYTSIE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":564.3621,"smiles":"CCCCCCCCCCC(C)C1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722549","spectrum_index":7176},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381435-01!13-dodecan-2-yl-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000848775]","exact_mass":541.372,"inchikey":"PVAWVKQDYYTSIE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1105.733,"smiles":"CCCCCCCCCCC(C)C1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722550","spectrum_index":7177},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381435-01!13-dodecan-2-yl-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000848775]","exact_mass":541.372,"inchikey":"PVAWVKQDYYTSIE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":580.3361,"smiles":"CCCCCCCCCCC(C)C1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722551","spectrum_index":7178},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381435-01!13-dodecan-2-yl-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone [IIN-based: Match]","exact_mass":541.372,"inchikey":"PVAWVKQDYYTSIE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":542.38,"smiles":"CCCCCCCCCCC(C)C1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722552","spectrum_index":7179},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381435-01!13-dodecan-2-yl-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000848775]","exact_mass":541.372,"inchikey":"PVAWVKQDYYTSIE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":524.369,"smiles":"CCCCCCCCCCC(C)C1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C1C)C(C)C)C(C)O","spectrum_id":"CCMSLIB00005722553","spectrum_index":7180},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169113-03!2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid [IIN-based: Match]","exact_mass":510.262,"inchikey":"BSSWIRVAMSGQMG-RTTXQYISSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.2585,"smiles":"C[C@@]12CC[C@H](C[C@H]1[C@H](CCC3(O)[C@@H]4C[C@@H](CC[C@@]4(C)C=CC3=O)C(=C)C(O)=O)C(=O)C=C2)C(=C)C(O)=O","spectrum_id":"CCMSLIB00005722554","spectrum_index":7181},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169113-03!2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid [IIN-based on: CCMSLIB00000845468]","exact_mass":510.262,"inchikey":"BSSWIRVAMSGQMG-RTTXQYISSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":533.2508,"smiles":"C[C@@]12CC[C@H](C[C@H]1[C@H](CCC3(O)[C@@H]4C[C@@H](CC[C@@]4(C)C=CC3=O)C(=C)C(O)=O)C(=O)C=C2)C(=C)C(O)=O","spectrum_id":"CCMSLIB00005722555","spectrum_index":7182},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169113-03!2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid [IIN-based on: CCMSLIB00000845468]","exact_mass":510.262,"inchikey":"BSSWIRVAMSGQMG-RTTXQYISSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":555.233,"smiles":"C[C@@]12CC[C@H](C[C@H]1[C@H](CCC3(O)[C@@H]4C[C@@H](CC[C@@]4(C)C=CC3=O)C(=C)C(O)=O)C(=O)C=C2)C(=C)C(O)=O","spectrum_id":"CCMSLIB00005722556","spectrum_index":7183},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169113-03!2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid [IIN-based on: CCMSLIB00000845468]","exact_mass":510.262,"inchikey":"BSSWIRVAMSGQMG-RTTXQYISSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":511.2691,"smiles":"C[C@@]12CC[C@H](C[C@H]1[C@H](CCC3(O)[C@@H]4C[C@@H](CC[C@@]4(C)C=CC3=O)C(=C)C(O)=O)C(=O)C=C2)C(=C)C(O)=O","spectrum_id":"CCMSLIB00005722557","spectrum_index":7184},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169113-03!2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid [IIN-based on: CCMSLIB00000845468]","exact_mass":510.262,"inchikey":"BSSWIRVAMSGQMG-RTTXQYISSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.2477,"smiles":"C[C@@]12CC[C@H](C[C@H]1[C@H](CCC3(O)[C@@H]4C[C@@H](CC[C@@]4(C)C=CC3=O)C(=C)C(O)=O)C(=O)C=C2)C(=C)C(O)=O","spectrum_id":"CCMSLIB00005722558","spectrum_index":7185},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384578-01!5-[5-(acetyloxymethyl)-1,2,4a-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid [IIN-based: Match]","exact_mass":378.241,"inchikey":"OLDFOHABNQZMKB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.2482,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2COC(C)=O)CC(O)=O","spectrum_id":"CCMSLIB00005722559","spectrum_index":7186},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384578-01!5-[5-(acetyloxymethyl)-1,2,4a-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid [IIN-based on: CCMSLIB00000847365]","exact_mass":378.241,"inchikey":"OLDFOHABNQZMKB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.2115,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2COC(C)=O)CC(O)=O","spectrum_id":"CCMSLIB00005722561","spectrum_index":7187},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384578-01!5-[5-(acetyloxymethyl)-1,2,4a-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid [IIN-based on: CCMSLIB00000847365]","exact_mass":378.241,"inchikey":"OLDFOHABNQZMKB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.2377,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2COC(C)=O)CC(O)=O","spectrum_id":"CCMSLIB00005722562","spectrum_index":7188},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384593-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848938]","exact_mass":388.152,"inchikey":"AEXJMQYVIPHZDJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.1152,"smiles":"CC(C)CC(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00005722563","spectrum_index":7189},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384593-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848938]","exact_mass":388.152,"inchikey":"AEXJMQYVIPHZDJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":799.2932,"smiles":"CC(C)CC(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00005722564","spectrum_index":7190},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384593-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848938]","exact_mass":388.152,"inchikey":"AEXJMQYVIPHZDJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.1488,"smiles":"CC(C)CC(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00005722565","spectrum_index":7191},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384593-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848938]","exact_mass":388.152,"inchikey":"AEXJMQYVIPHZDJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.159,"smiles":"CC(C)CC(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00005722566","spectrum_index":7192},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384593-01![3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate [IIN-based: Match]","exact_mass":388.152,"inchikey":"AEXJMQYVIPHZDJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.1861,"smiles":"CC(C)CC(=O)OC(COC1=C2OC(=O)C=CC2=CC3=C1OC=C3)C(C)(C)O","spectrum_id":"CCMSLIB00005722567","spectrum_index":7193},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380154-01! [IIN-based on: CCMSLIB00000845724]","exact_mass":443.159,"inchikey":"BOZGEGDMHAOPIQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":426.1561,"smiles":"CC1NC2N(C1=O)C3=CC=CC=C3C24CC5N6C(=O)C7=C(C=CC=C7)N=C6C(O4)N(C)C5=O","spectrum_id":"CCMSLIB00005722568","spectrum_index":7194},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380154-01! [IIN-based: Match]","exact_mass":443.159,"inchikey":"BOZGEGDMHAOPIQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.1667,"smiles":"CC1NC2N(C1=O)C3=CC=CC=C3C24CC5N6C(=O)C7=C(C=CC=C7)N=C6C(O4)N(C)C5=O","spectrum_id":"CCMSLIB00005722569","spectrum_index":7195},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380083-01!(E)-3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one [IIN-based on: CCMSLIB00000845911]","exact_mass":338.152,"inchikey":"TZHSNGXLLUGMMD-DHZHZOJOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":699.2931,"smiles":"COC1=CC=C(C=C1)C(=O)\\\\C=C\\\\C2=CC(=C(O)C=C2O)C(C)(C)C=C","spectrum_id":"CCMSLIB00005722570","spectrum_index":7196},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380083-01!(E)-3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one [IIN-based: Match]","exact_mass":338.152,"inchikey":"TZHSNGXLLUGMMD-DHZHZOJOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.1595,"smiles":"COC1=CC=C(C=C1)C(=O)\\\\C=C\\\\C2=CC(=C(O)C=C2O)C(C)(C)C=C","spectrum_id":"CCMSLIB00005722571","spectrum_index":7197},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381451-01!(1S,4S,7R,10S,13S)-7,10-di(butan-2-yl)-4-propan-2-yl-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone [IIN-based on: CCMSLIB00000848487]","exact_mass":529.239,"inchikey":"PIXYPRXKMCTYQV-UPELKQERSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":547.2728,"smiles":"CCC(C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2CSSC[C@@H](NC1=O)C(=O)N2)C(C)C)C(C)CC","spectrum_id":"CCMSLIB00005722573","spectrum_index":7198},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381451-01!(1S,4S,7R,10S,13S)-7,10-di(butan-2-yl)-4-propan-2-yl-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone [IIN-based on: CCMSLIB00000848487]","exact_mass":529.239,"inchikey":"PIXYPRXKMCTYQV-UPELKQERSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":552.2287,"smiles":"CCC(C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2CSSC[C@@H](NC1=O)C(=O)N2)C(C)C)C(C)CC","spectrum_id":"CCMSLIB00005722574","spectrum_index":7199},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381451-01!(1S,4S,7R,10S,13S)-7,10-di(butan-2-yl)-4-propan-2-yl-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone [IIN-based: Match]","exact_mass":529.239,"inchikey":"PIXYPRXKMCTYQV-UPELKQERSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":530.2467,"smiles":"CCC(C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2CSSC[C@@H](NC1=O)C(=O)N2)C(C)C)C(C)CC","spectrum_id":"CCMSLIB00005722575","spectrum_index":7200},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00381451-01!(1S,4S,7R,10S,13S)-7,10-di(butan-2-yl)-4-propan-2-yl-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone [IIN-based on: CCMSLIB00000848487]","exact_mass":529.239,"inchikey":"PIXYPRXKMCTYQV-UPELKQERSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1081.4672,"smiles":"CCC(C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2CSSC[C@@H](NC1=O)C(=O)N2)C(C)C)C(C)CC","spectrum_id":"CCMSLIB00005722576","spectrum_index":7201},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347666-02!2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde [IIN-based on: CCMSLIB00000846934]","exact_mass":370.215,"inchikey":"AQCKKGIVKOHRLM-HBFAXEOFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.2043,"smiles":"C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)\\\\C=C\\\\C(C)=C\\\\CC2=C(O)C=C(C)C(C=O)=C2O","spectrum_id":"CCMSLIB00005722577","spectrum_index":7202},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00347666-02!2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde [IIN-based on: CCMSLIB00000846934]","exact_mass":370.215,"inchikey":"AQCKKGIVKOHRLM-HBFAXEOFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":390.1948,"smiles":"C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)\\\\C=C\\\\C(C)=C\\\\CC2=C(O)C=C(C)C(C=O)=C2O","spectrum_id":"CCMSLIB00005722578","spectrum_index":7203},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347666-02!2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde [IIN-based: Match]","exact_mass":370.215,"inchikey":"AQCKKGIVKOHRLM-HBFAXEOFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.2221,"smiles":"C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)\\\\C=C\\\\C(C)=C\\\\CC2=C(O)C=C(C)C(C=O)=C2O","spectrum_id":"CCMSLIB00005722579","spectrum_index":7204},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347666-02!2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde [IIN-based on: CCMSLIB00000846934]","exact_mass":370.215,"inchikey":"AQCKKGIVKOHRLM-HBFAXEOFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.2116,"smiles":"C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)\\\\C=C\\\\C(C)=C\\\\CC2=C(O)C=C(C)C(C=O)=C2O","spectrum_id":"CCMSLIB00005722580","spectrum_index":7205},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384604-01!4-[(2R,3R)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene [IIN-based: Match]","exact_mass":418.236,"inchikey":"KFLQGJQSLUYUBF-PMACEKPBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":436.2693,"smiles":"COC[C@H](CC1=CC=C(OC)C(OC)=C1)[C@H](COC)CC2=CC=C(OC)C(OC)=C2","spectrum_id":"CCMSLIB00005722581","spectrum_index":7206},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384604-01!4-[(2R,3R)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene [IIN-based on: CCMSLIB00000848940]","exact_mass":418.236,"inchikey":"KFLQGJQSLUYUBF-PMACEKPBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.2422,"smiles":"COC[C@H](CC1=CC=C(OC)C(OC)=C1)[C@H](COC)CC2=CC=C(OC)C(OC)=C2","spectrum_id":"CCMSLIB00005722582","spectrum_index":7207},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179715-03!methyl 2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate [IIN-based: Match]","exact_mass":440.147,"inchikey":"FWHAYHIGJSFGKO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.1547,"smiles":"COC(=O)C3(CC1=CC(CC2OC2(C)C)=C(O)C=C1)OC(=O)C(O)=C3C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00005722583","spectrum_index":7208},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179715-03!methyl 2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846940]","exact_mass":440.147,"inchikey":"FWHAYHIGJSFGKO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.144,"smiles":"COC(=O)C3(CC1=CC(CC2OC2(C)C)=C(O)C=C1)OC(=O)C(O)=C3C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00005722584","spectrum_index":7209},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179715-03!methyl 2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846940]","exact_mass":440.147,"inchikey":"FWHAYHIGJSFGKO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":458.1813,"smiles":"COC(=O)C3(CC1=CC(CC2OC2(C)C)=C(O)C=C1)OC(=O)C(O)=C3C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00005722585","spectrum_index":7210},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179715-03!methyl 2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846940]","exact_mass":440.147,"inchikey":"FWHAYHIGJSFGKO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.1365,"smiles":"COC(=O)C3(CC1=CC(CC2OC2(C)C)=C(O)C=C1)OC(=O)C(O)=C3C4=CC=C(O)C=C4","spectrum_id":"CCMSLIB00005722586","spectrum_index":7211},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169031-03![6-(2-formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate [IIN-based on: CCMSLIB00000845461]","exact_mass":436.206,"inchikey":"DORNRAAPIXGDPH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":459.195,"smiles":"CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C","spectrum_id":"CCMSLIB00005722587","spectrum_index":7212},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169031-03![6-(2-formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate [IIN-based on: CCMSLIB00000845461]","exact_mass":436.206,"inchikey":"DORNRAAPIXGDPH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.1916,"smiles":"CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C","spectrum_id":"CCMSLIB00005722588","spectrum_index":7213},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169031-03![6-(2-formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate [IIN-based: Match]","exact_mass":436.206,"inchikey":"DORNRAAPIXGDPH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.2024,"smiles":"CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C","spectrum_id":"CCMSLIB00005722589","spectrum_index":7214},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00161931-02!4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000845720]","exact_mass":400.116,"inchikey":"JGGWNGRBXJWAOC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":823.2206,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)CC4=C2C=C5OCOC5=C4O","spectrum_id":"CCMSLIB00005722590","spectrum_index":7215},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00161931-02!4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based: Match]","exact_mass":400.116,"inchikey":"JGGWNGRBXJWAOC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.1231,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)CC4=C2C=C5OCOC5=C4O","spectrum_id":"CCMSLIB00005722591","spectrum_index":7216},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00161931-02!4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000845720]","exact_mass":400.116,"inchikey":"JGGWNGRBXJWAOC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":418.1498,"smiles":"COC1=CC(=CC(OC)=C1O)C2C3C(COC3=O)CC4=C2C=C5OCOC5=C4O","spectrum_id":"CCMSLIB00005722592","spectrum_index":7217},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179845-03!5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one [IIN-based on: CCMSLIB00000847624]","exact_mass":386.15,"inchikey":"CPMFRQHRPWPNMP-VOTSOKGWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.1392,"smiles":"CCC(C)C(O)C(C)(O)\\\\C=C\\\\C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2CO1","spectrum_id":"CCMSLIB00005722593","spectrum_index":7218},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179845-03!5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one [IIN-based on: CCMSLIB00000847624]","exact_mass":386.15,"inchikey":"CPMFRQHRPWPNMP-VOTSOKGWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.1469,"smiles":"CCC(C)C(O)C(C)(O)\\\\C=C\\\\C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2CO1","spectrum_id":"CCMSLIB00005722594","spectrum_index":7219},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179845-03!5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one [IIN-based on: CCMSLIB00000847624]","exact_mass":386.15,"inchikey":"CPMFRQHRPWPNMP-VOTSOKGWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.2882,"smiles":"CCC(C)C(O)C(C)(O)\\\\C=C\\\\C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2CO1","spectrum_id":"CCMSLIB00005722595","spectrum_index":7220},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179845-03!5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one [IIN-based: Match]","exact_mass":386.15,"inchikey":"CPMFRQHRPWPNMP-VOTSOKGWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.1573,"smiles":"CCC(C)C(O)C(C)(O)\\\\C=C\\\\C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2CO1","spectrum_id":"CCMSLIB00005722596","spectrum_index":7221},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180657-03!(3S,6R,6aS,7S)-6,6a,7,8-tetrahydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based on: CCMSLIB00000848934]","exact_mass":344.126,"inchikey":"PKPHZFVECLENRP-QDWLCUAPSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.1227,"smiles":"C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@]3(O)[C@@H](O)C4=C(C=CC=C4O)C(=O)C23","spectrum_id":"CCMSLIB00005722597","spectrum_index":7222},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180657-03!(3S,6R,6aS,7S)-6,6a,7,8-tetrahydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based: Match]","exact_mass":344.126,"inchikey":"PKPHZFVECLENRP-QDWLCUAPSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.1333,"smiles":"C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@]3(O)[C@@H](O)C4=C(C=CC=C4O)C(=O)C23","spectrum_id":"CCMSLIB00005722598","spectrum_index":7223},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180657-03!(3S,6R,6aS,7S)-6,6a,7,8-tetrahydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based on: CCMSLIB00000848934]","exact_mass":344.126,"inchikey":"PKPHZFVECLENRP-QDWLCUAPSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.112,"smiles":"C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@]3(O)[C@@H](O)C4=C(C=CC=C4O)C(=O)C23","spectrum_id":"CCMSLIB00005722600","spectrum_index":7224},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00169733-03!(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid [IIN-based on: CCMSLIB00000845476]","exact_mass":550.169,"inchikey":"JGHUOJAZXGSFRI-HOWDAYCMSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.0653,"smiles":"COC(=O)C[C@H]1\\\\C(=C\\\\COC(=O)\\\\C=C\\\\C2=CC=CC=C2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(O)=O","spectrum_id":"CCMSLIB00005722601","spectrum_index":7225},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169733-03!(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid [IIN-based: Match]","exact_mass":550.169,"inchikey":"JGHUOJAZXGSFRI-HOWDAYCMSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":568.2025,"smiles":"COC(=O)C[C@H]1\\\\C(=C\\\\COC(=O)\\\\C=C\\\\C2=CC=CC=C2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(O)=O","spectrum_id":"CCMSLIB00005722602","spectrum_index":7226},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169733-03!(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid [IIN-based on: CCMSLIB00000845476]","exact_mass":550.169,"inchikey":"JGHUOJAZXGSFRI-HOWDAYCMSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":573.158,"smiles":"COC(=O)C[C@H]1\\\\C(=C\\\\COC(=O)\\\\C=C\\\\C2=CC=CC=C2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(O)=O","spectrum_id":"CCMSLIB00005722603","spectrum_index":7227},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347866-02!N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide [IIN-based: Match]","exact_mass":446.132,"inchikey":"PCMUPOUDXMFDRE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.1391,"smiles":"COC1=CC=C2C=C(N(C)C(=O)C3=NOC4C(O)C=CC(O)C4(O)C3)C(=O)OC2=C1OC","spectrum_id":"CCMSLIB00005722604","spectrum_index":7228},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347866-02!N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide [IIN-based on: CCMSLIB00000848485]","exact_mass":446.132,"inchikey":"PCMUPOUDXMFDRE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.1216,"smiles":"COC1=CC=C2C=C(N(C)C(=O)C3=NOC4C(O)C=CC(O)C4(O)C3)C(=O)OC2=C1OC","spectrum_id":"CCMSLIB00005722605","spectrum_index":7229},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347745-02! [IIN-based: Match]","exact_mass":552.2,"inchikey":"XQJFWXFZEDKVQR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":535.1966,"smiles":"CC1OC=C2C(=O)C3(OC3C(=O)C24C5OC(C)C(C14)C6=C5C(=O)C7(OC7C6=O)C(O)C=C(C)C)C(O)C=C(C)C","spectrum_id":"CCMSLIB00005722606","spectrum_index":7230},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347745-02! [IIN-based on: CCMSLIB00000845479]","exact_mass":552.2,"inchikey":"XQJFWXFZEDKVQR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":575.1893,"smiles":"CC1OC=C2C(=O)C3(OC3C(=O)C24C5OC(C)C(C14)C6=C5C(=O)C7(OC7C6=O)C(O)C=C(C)C)C(O)C=C(C)C","spectrum_id":"CCMSLIB00005722607","spectrum_index":7231},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347745-02! [IIN-based on: CCMSLIB00000845479]","exact_mass":552.2,"inchikey":"XQJFWXFZEDKVQR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":553.207,"smiles":"CC1OC=C2C(=O)C3(OC3C(=O)C24C5OC(C)C(C14)C6=C5C(=O)C7(OC7C6=O)C(O)C=C(C)C)C(O)C=C(C)C","spectrum_id":"CCMSLIB00005722608","spectrum_index":7232},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169118-03![(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate [IIN-based on: CCMSLIB00000848748]","exact_mass":388.152,"inchikey":"GVBNSPFBYXGREE-CDDDFZJFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.1419,"smiles":"CCC(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00005722609","spectrum_index":7233},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169118-03![(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate [IIN-based on: CCMSLIB00000848748]","exact_mass":388.152,"inchikey":"GVBNSPFBYXGREE-CDDDFZJFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":799.2936,"smiles":"CCC(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00005722610","spectrum_index":7234},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169118-03![(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate [IIN-based: Match]","exact_mass":388.152,"inchikey":"GVBNSPFBYXGREE-CDDDFZJFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.1865,"smiles":"CCC(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00005722611","spectrum_index":7235},{"adduct":"[2M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169118-03![(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate [IIN-based on: CCMSLIB00000848748]","exact_mass":388.152,"inchikey":"GVBNSPFBYXGREE-CDDDFZJFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":815.2671,"smiles":"CCC(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00005722612","spectrum_index":7236},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169118-03![(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate [IIN-based on: CCMSLIB00000848748]","exact_mass":388.152,"inchikey":"GVBNSPFBYXGREE-CDDDFZJFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":794.338,"smiles":"CCC(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C","spectrum_id":"CCMSLIB00005722613","spectrum_index":7237},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384591-01![3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848345]","exact_mass":386.137,"inchikey":"QPQHCRKTYXPSQG-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.1333,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(C)(C)C(O)COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005722614","spectrum_index":7238},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384591-01![3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848345]","exact_mass":386.137,"inchikey":"QPQHCRKTYXPSQG-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.1262,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(C)(C)C(O)COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005722615","spectrum_index":7239},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384591-01![3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848345]","exact_mass":386.137,"inchikey":"QPQHCRKTYXPSQG-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.144,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(C)(C)C(O)COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005722616","spectrum_index":7240},{"adduct":"[2M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384591-01![3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848345]","exact_mass":386.137,"inchikey":"QPQHCRKTYXPSQG-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":811.2352,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(C)(C)C(O)COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005722617","spectrum_index":7241},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384591-01![3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848345]","exact_mass":386.137,"inchikey":"QPQHCRKTYXPSQG-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.2621,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(C)(C)C(O)COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005722618","spectrum_index":7242},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384591-01![3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based: Match]","exact_mass":386.137,"inchikey":"QPQHCRKTYXPSQG-XGICHPGQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.1706,"smiles":"C\\\\C=C(\\\\C)C(=O)OC(C)(C)C(O)COC1=C2OC(=O)C=CC2=CC3=C1OC=C3","spectrum_id":"CCMSLIB00005722619","spectrum_index":7243},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179860-02!6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid [IIN-based on: CCMSLIB00000848016]","exact_mass":590.382,"inchikey":"BBMULGJBVDDDNI-OWKLGTHSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":635.3524,"smiles":"CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC3=C(C(O)=O)C(O)=C(C)C=C3","spectrum_id":"CCMSLIB00005722620","spectrum_index":7244},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179860-02!6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid [IIN-based: Match]","exact_mass":590.382,"inchikey":"BBMULGJBVDDDNI-OWKLGTHSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":608.4157,"smiles":"CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC3=C(C(O)=O)C(O)=C(C)C=C3","spectrum_id":"CCMSLIB00005722621","spectrum_index":7245},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179860-02!6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid [IIN-based on: CCMSLIB00000848016]","exact_mass":590.382,"inchikey":"BBMULGJBVDDDNI-OWKLGTHSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":573.3787,"smiles":"CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC3=C(C(O)=O)C(O)=C(C)C=C3","spectrum_id":"CCMSLIB00005722622","spectrum_index":7246},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179860-02!6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid [IIN-based on: CCMSLIB00000848016]","exact_mass":590.382,"inchikey":"BBMULGJBVDDDNI-OWKLGTHSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":591.389,"smiles":"CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC3=C(C(O)=O)C(O)=C(C)C=C3","spectrum_id":"CCMSLIB00005722623","spectrum_index":7247},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179860-02!6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid [IIN-based on: CCMSLIB00000848016]","exact_mass":590.382,"inchikey":"BBMULGJBVDDDNI-OWKLGTHSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":555.3683,"smiles":"CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC3=C(C(O)=O)C(O)=C(C)C=C3","spectrum_id":"CCMSLIB00005722624","spectrum_index":7248},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380747-01!7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chromen-4-one [IIN-based on: CCMSLIB00000848794]","exact_mass":390.184,"inchikey":"YBJJPNXZVZRDIU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":803.3554,"smiles":"CC(C)=CCC1=C(O)C=CC(=C1)C2=COC3=C(CC=C(C)C)C(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00005722625","spectrum_index":7249},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380747-01!7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chromen-4-one [IIN-based: Match]","exact_mass":390.184,"inchikey":"YBJJPNXZVZRDIU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.1909,"smiles":"CC(C)=CCC1=C(O)C=CC(=C1)C2=COC3=C(CC=C(C)C)C(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00005722626","spectrum_index":7250},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380747-01!7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chromen-4-one [IIN-based on: CCMSLIB00000848794]","exact_mass":390.184,"inchikey":"YBJJPNXZVZRDIU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.1466,"smiles":"CC(C)=CCC1=C(O)C=CC(=C1)C2=COC3=C(CC=C(C)C)C(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00005722627","spectrum_index":7251},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380747-01!7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chromen-4-one [IIN-based on: CCMSLIB00000848794]","exact_mass":390.184,"inchikey":"YBJJPNXZVZRDIU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.1732,"smiles":"CC(C)=CCC1=C(O)C=CC(=C1)C2=COC3=C(CC=C(C)C)C(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00005722628","spectrum_index":7252},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-phenylpropanoic acid [IIN-based: Match]","exact_mass":403.308,"inchikey":"WICAPTTWPBEVPW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.3159,"smiles":"CC(C)CCCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(O)=O","spectrum_id":"CCMSLIB00005722630","spectrum_index":7253},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385686-01!3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one [IIN-based: Match]","exact_mass":422.173,"inchikey":"VYELCIXMHUBNAL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.1803,"smiles":"CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OC=C(C(=O)C2=C1O)C3=CC=C(O)C=C3O","spectrum_id":"CCMSLIB00005722631","spectrum_index":7254},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180137-02!(3S)-8-hydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000848009]","exact_mass":306.09,"inchikey":"ZAWXOCUFQSQDJS-VIFPVBQESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":635.1682,"smiles":"C[C@@H]1CC(=O)C2=C3C(=O)C4=C(C(O)=CC=C4)C(=O)C3=CC=C2C1","spectrum_id":"CCMSLIB00005722632","spectrum_index":7255},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180137-02!(3S)-8-hydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione [IIN-based: Match]","exact_mass":306.09,"inchikey":"ZAWXOCUFQSQDJS-VIFPVBQESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.097,"smiles":"C[C@@H]1CC(=O)C2=C3C(=O)C4=C(C(O)=CC=C4)C(=O)C3=CC=C2C1","spectrum_id":"CCMSLIB00005722633","spectrum_index":7256},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180137-02!(3S)-8-hydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000848009]","exact_mass":306.09,"inchikey":"ZAWXOCUFQSQDJS-VIFPVBQESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.079,"smiles":"C[C@@H]1CC(=O)C2=C3C(=O)C4=C(C(O)=CC=C4)C(=O)C3=CC=C2C1","spectrum_id":"CCMSLIB00005722634","spectrum_index":7257},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380239-01!16-hydroxy-4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one [IIN-based: Match]","exact_mass":490.366,"inchikey":"PUCLKHYBLVYMRK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":473.3629,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1=C2CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1O","spectrum_id":"CCMSLIB00005722635","spectrum_index":7258},{"adduct":"[M-3H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380239-01!16-hydroxy-4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one [IIN-based on: CCMSLIB00000848752]","exact_mass":490.366,"inchikey":"PUCLKHYBLVYMRK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.342,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1=C2CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1O","spectrum_id":"CCMSLIB00005722636","spectrum_index":7259},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380239-01!16-hydroxy-4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one [IIN-based on: CCMSLIB00000848752]","exact_mass":490.366,"inchikey":"PUCLKHYBLVYMRK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1003.7202,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1=C2CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1O","spectrum_id":"CCMSLIB00005722637","spectrum_index":7260},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380239-01!16-hydroxy-4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one [IIN-based on: CCMSLIB00000848752]","exact_mass":490.366,"inchikey":"PUCLKHYBLVYMRK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.3523,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1=C2CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1O","spectrum_id":"CCMSLIB00005722639","spectrum_index":7261},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one [IIN-based: Match]","exact_mass":434.23,"inchikey":"UXTZIHZDUIRZDY-JASOSIDASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.2377,"smiles":"COC1=C(C)C(=O)OC(=C1C)C(C)(O)C(O)C(\\\\C)=C\\\\C(C)=C\\\\C2(C)OC(C)C3(C)OC23","spectrum_id":"CCMSLIB00005722641","spectrum_index":7262},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one [IIN-based on: CCMSLIB00000847677]","exact_mass":434.23,"inchikey":"UXTZIHZDUIRZDY-JASOSIDASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.2272,"smiles":"COC1=C(C)C(=O)OC(=C1C)C(C)(O)C(O)C(\\\\C)=C\\\\C(C)=C\\\\C2(C)OC(C)C3(C)OC23","spectrum_id":"CCMSLIB00005722642","spectrum_index":7263},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one [IIN-based on: CCMSLIB00000847677]","exact_mass":434.23,"inchikey":"UXTZIHZDUIRZDY-JASOSIDASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":891.4499,"smiles":"COC1=C(C)C(=O)OC(=C1C)C(C)(O)C(O)C(\\\\C)=C\\\\C(C)=C\\\\C2(C)OC(C)C3(C)OC23","spectrum_id":"CCMSLIB00005722643","spectrum_index":7264},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one [IIN-based on: CCMSLIB00000847677]","exact_mass":434.23,"inchikey":"UXTZIHZDUIRZDY-JASOSIDASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.2199,"smiles":"COC1=C(C)C(=O)OC(=C1C)C(C)(O)C(O)C(\\\\C)=C\\\\C(C)=C\\\\C2(C)OC(C)C3(C)OC23","spectrum_id":"CCMSLIB00005722644","spectrum_index":7265},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one [IIN-based on: CCMSLIB00000847677]","exact_mass":434.23,"inchikey":"UXTZIHZDUIRZDY-JASOSIDASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.2169,"smiles":"COC1=C(C)C(=O)OC(=C1C)C(C)(O)C(O)C(\\\\C)=C\\\\C(C)=C\\\\C2(C)OC(C)C3(C)OC23","spectrum_id":"CCMSLIB00005722645","spectrum_index":7266},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one [IIN-based on: CCMSLIB00000847678]","exact_mass":434.23,"inchikey":"UXTZIHZDUIRZDY-JASOSIDASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":891.4503,"smiles":"COC1=C(C)C(=O)OC(=C1C)C(C)(O)C(O)C(\\\\C)=C\\\\C(C)=C\\\\C2(C)OC(C)C3(C)OC23","spectrum_id":"CCMSLIB00005722646","spectrum_index":7267},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one [IIN-based: Match]","exact_mass":434.23,"inchikey":"UXTZIHZDUIRZDY-JASOSIDASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.2274,"smiles":"COC1=C(C)C(=O)OC(=C1C)C(C)(O)C(O)C(\\\\C)=C\\\\C(C)=C\\\\C2(C)OC(C)C3(C)OC23","spectrum_id":"CCMSLIB00005722647","spectrum_index":7268},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one [IIN-based on: CCMSLIB00000847678]","exact_mass":434.23,"inchikey":"UXTZIHZDUIRZDY-JASOSIDASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.2199,"smiles":"COC1=C(C)C(=O)OC(=C1C)C(C)(O)C(O)C(\\\\C)=C\\\\C(C)=C\\\\C2(C)OC(C)C3(C)OC23","spectrum_id":"CCMSLIB00005722648","spectrum_index":7269},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one [IIN-based on: CCMSLIB00000847678]","exact_mass":434.23,"inchikey":"UXTZIHZDUIRZDY-JASOSIDASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.238,"smiles":"COC1=C(C)C(=O)OC(=C1C)C(C)(O)C(O)C(\\\\C)=C\\\\C(C)=C\\\\C2(C)OC(C)C3(C)OC23","spectrum_id":"CCMSLIB00005722649","spectrum_index":7270},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384628-01![7-methyl-6,8-dioxo-3-[(E)-prop-1-enyl]isochromen-7-yl] 4-hydroxy-2-methoxy-6-methylbenzoate [IIN-based on: CCMSLIB00000848013]","exact_mass":396.121,"inchikey":"VRWFEVIVOZKBJA-AATRIKPKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":815.2309,"smiles":"COC1=C(C(=O)OC2(C)C(=O)C=C3C=C(OC=C3C2=O)\\\\C=C\\\\C)C(C)=CC(O)=C1","spectrum_id":"CCMSLIB00005722650","spectrum_index":7271},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384628-01![7-methyl-6,8-dioxo-3-[(E)-prop-1-enyl]isochromen-7-yl] 4-hydroxy-2-methoxy-6-methylbenzoate [IIN-based: Match]","exact_mass":396.121,"inchikey":"VRWFEVIVOZKBJA-AATRIKPKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.1105,"smiles":"COC1=C(C(=O)OC2(C)C(=O)C=C3C=C(OC=C3C2=O)\\\\C=C\\\\C)C(C)=CC(O)=C1","spectrum_id":"CCMSLIB00005722651","spectrum_index":7272},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380830-01!methyl 2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoate [IIN-based: Match]","exact_mass":231.147,"inchikey":"DYTVYDVNJBXBMW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":232.1544,"smiles":"COC(=O)C(NC(=O)C(O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00005722652","spectrum_index":7273},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380830-01!methyl 2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoate [IIN-based on: CCMSLIB00000845070]","exact_mass":231.147,"inchikey":"DYTVYDVNJBXBMW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":254.1362,"smiles":"COC(=O)C(NC(=O)C(O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00005722653","spectrum_index":7274},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380692-01!3-[5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-8-yl]hexanoic acid [IIN-based: Match]","exact_mass":404.22,"inchikey":"UDVTWMLZUGXNQM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.2274,"smiles":"CCCC(CC(O)=O)C1=C2OC(C)C(C)C(=O)C2=C(O)C(CC=C(C)C)=C1OC","spectrum_id":"CCMSLIB00005722655","spectrum_index":7275},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380692-01!3-[5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-8-yl]hexanoic acid [IIN-based on: CCMSLIB00000847824]","exact_mass":404.22,"inchikey":"UDVTWMLZUGXNQM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.217,"smiles":"CCCC(CC(O)=O)C1=C2OC(C)C(C)C(=O)C2=C(O)C(CC=C(C)C)=C1OC","spectrum_id":"CCMSLIB00005722656","spectrum_index":7276},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380692-01!3-[5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-8-yl]hexanoic acid [IIN-based on: CCMSLIB00000847824]","exact_mass":404.22,"inchikey":"UDVTWMLZUGXNQM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.2091,"smiles":"CCCC(CC(O)=O)C1=C2OC(C)C(C)C(=O)C2=C(O)C(CC=C(C)C)=C1OC","spectrum_id":"CCMSLIB00005722657","spectrum_index":7277},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380692-01!3-[5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-8-yl]hexanoic acid [IIN-based on: CCMSLIB00000847824]","exact_mass":404.22,"inchikey":"UDVTWMLZUGXNQM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.1912,"smiles":"CCCC(CC(O)=O)C1=C2OC(C)C(C)C(=O)C2=C(O)C(CC=C(C)C)=C1OC","spectrum_id":"CCMSLIB00005722658","spectrum_index":7278},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380826-01![1-(3,4-dihydroxy-5-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptan-3-yl] acetate [IIN-based on: CCMSLIB00000845079]","exact_mass":404.183,"inchikey":"ISMTYWQWKQRTNM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":424.1653,"smiles":"COC1=C(O)C(O)=CC(CCC(CCCCC2=CC=C(O)C(O)=C2)OC(C)=O)=C1","spectrum_id":"CCMSLIB00005722659","spectrum_index":7279},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380826-01![1-(3,4-dihydroxy-5-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptan-3-yl] acetate [IIN-based: Match]","exact_mass":404.183,"inchikey":"ISMTYWQWKQRTNM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":422.2178,"smiles":"COC1=C(O)C(O)=CC(CCC(CCCCC2=CC=C(O)C(O)=C2)OC(C)=O)=C1","spectrum_id":"CCMSLIB00005722661","spectrum_index":7280},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385702-01!(2S,3R,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based: Match]","exact_mass":464.314,"inchikey":"UPEZCKBFRMILAV-DBDKQAFGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.3107,"smiles":"C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00005722663","spectrum_index":7281},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385702-01!(2S,3R,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based on: CCMSLIB00000845083]","exact_mass":464.314,"inchikey":"UPEZCKBFRMILAV-DBDKQAFGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.3002,"smiles":"C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00005722664","spectrum_index":7282},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380514-01!(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":592.273,"inchikey":"UTWYSZSEHYRTLP-UDGGRRETSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":610.3071,"smiles":"CCCCCCCCCC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=CC(O)=C1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00005722666","spectrum_index":7283},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380514-01!(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000847345]","exact_mass":592.273,"inchikey":"UTWYSZSEHYRTLP-UDGGRRETSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":612.254,"smiles":"CCCCCCCCCC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=CC(O)=C1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00005722667","spectrum_index":7284},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380514-01!(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000847345]","exact_mass":592.273,"inchikey":"UTWYSZSEHYRTLP-UDGGRRETSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":615.2622,"smiles":"CCCCCCCCCC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=CC(O)=C1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00005722668","spectrum_index":7285},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380514-01!(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000847345]","exact_mass":592.273,"inchikey":"UTWYSZSEHYRTLP-UDGGRRETSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.1174,"smiles":"CCCCCCCCCC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=CC(O)=C1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O","spectrum_id":"CCMSLIB00005722669","spectrum_index":7286},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00090962-07!2-phenylchromen-4-one [IIN-based: Match]","exact_mass":222.068,"inchikey":"VHBFFQKBGNRLFZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":223.0755,"smiles":"O=C1C=C(OC2=CC=CC=C12)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722670","spectrum_index":7287},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00336197-02!(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one [IIN-based on: CCMSLIB00000847435]","exact_mass":294.126,"inchikey":"IOZVKDXPBWBUKY-LQIBPGRFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.1151,"smiles":"COC1=CC=C(C=C1)\\\\C=C\\\\C(=O)\\\\C=C\\\\C2=CC=C(OC)C=C2","spectrum_id":"CCMSLIB00005722671","spectrum_index":7288},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00336197-02!(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one [IIN-based: Match]","exact_mass":294.126,"inchikey":"IOZVKDXPBWBUKY-LQIBPGRFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.1332,"smiles":"COC1=CC=C(C=C1)\\\\C=C\\\\C(=O)\\\\C=C\\\\C2=CC=C(OC)C=C2","spectrum_id":"CCMSLIB00005722672","spectrum_index":7289},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00336197-02!(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one [IIN-based on: CCMSLIB00000847435]","exact_mass":294.126,"inchikey":"IOZVKDXPBWBUKY-LQIBPGRFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.2407,"smiles":"COC1=CC=C(C=C1)\\\\C=C\\\\C(=O)\\\\C=C\\\\C2=CC=C(OC)C=C2","spectrum_id":"CCMSLIB00005722673","spectrum_index":7290},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180659-03![1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate [IIN-based on: CCMSLIB00000845212]","exact_mass":414.168,"inchikey":"NUYFKDBCHFKOBT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.1578,"smiles":"COC1=C2C(OC3=C(COC2=O)C=C(C)C=C3O)=CC=C1C(CC(C)C)OC(C)=O","spectrum_id":"CCMSLIB00005722674","spectrum_index":7291},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180659-03![1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate [IIN-based on: CCMSLIB00000845212]","exact_mass":414.168,"inchikey":"NUYFKDBCHFKOBT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":851.3248,"smiles":"COC1=C2C(OC3=C(COC2=O)C=C(C)C=C3O)=CC=C1C(CC(C)C)OC(C)=O","spectrum_id":"CCMSLIB00005722675","spectrum_index":7292},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180659-03![1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate [IIN-based: Match]","exact_mass":414.168,"inchikey":"NUYFKDBCHFKOBT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.2023,"smiles":"COC1=C2C(OC3=C(COC2=O)C=C(C)C=C3O)=CC=C1C(CC(C)C)OC(C)=O","spectrum_id":"CCMSLIB00005722676","spectrum_index":7293},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169087-03![(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate [IIN-based: Match]","exact_mass":386.137,"inchikey":"FNVCLGWRMXTDSM-WOJBJXKFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.1708,"smiles":"CC(=O)O[C@H]1[C@@H](OC(=O)C=C(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722677","spectrum_index":7294},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169087-03![(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate [IIN-based on: CCMSLIB00000846509]","exact_mass":386.137,"inchikey":"FNVCLGWRMXTDSM-WOJBJXKFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.126,"smiles":"CC(=O)O[C@H]1[C@@H](OC(=O)C=C(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722678","spectrum_index":7295},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169087-03![(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate [IIN-based on: CCMSLIB00000846509]","exact_mass":386.137,"inchikey":"FNVCLGWRMXTDSM-WOJBJXKFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.0998,"smiles":"CC(=O)O[C@H]1[C@@H](OC(=O)C=C(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722679","spectrum_index":7296},{"adduct":"[2M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169087-03![(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate [IIN-based on: CCMSLIB00000846509]","exact_mass":386.137,"inchikey":"FNVCLGWRMXTDSM-WOJBJXKFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":811.2359,"smiles":"CC(=O)O[C@H]1[C@@H](OC(=O)C=C(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722680","spectrum_index":7297},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169087-03![(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate [IIN-based on: CCMSLIB00000846509]","exact_mass":386.137,"inchikey":"FNVCLGWRMXTDSM-WOJBJXKFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.2624,"smiles":"CC(=O)O[C@H]1[C@@H](OC(=O)C=C(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722681","spectrum_index":7298},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384489-01!2-phenylfuro[2,3-h]chromen-4-one [IIN-based on: CCMSLIB00000848798]","exact_mass":262.063,"inchikey":"NQNOTBRHBRJKKH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.0522,"smiles":"O=C1C=C(OC2=C3C=COC3=CC=C12)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005722682","spectrum_index":7299},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384489-01!2-phenylfuro[2,3-h]chromen-4-one [IIN-based: Match]","exact_mass":262.063,"inchikey":"NQNOTBRHBRJKKH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.0704,"smiles":"O=C1C=C(OC2=C3C=COC3=CC=C12)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005722683","spectrum_index":7300},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384489-01!2-phenylfuro[2,3-h]chromen-4-one [IIN-based on: CCMSLIB00000848798]","exact_mass":262.063,"inchikey":"NQNOTBRHBRJKKH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":547.1151,"smiles":"O=C1C=C(OC2=C3C=COC3=CC=C12)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005722684","spectrum_index":7301},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00163568-03!7-hydroxy-2-phenylchromen-4-one [IIN-based: Match]","exact_mass":238.063,"inchikey":"MQGPSCMMNJKMHQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.0705,"smiles":"OC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722685","spectrum_index":7302},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00336197-02!(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one [IIN-based: Match]","exact_mass":294.126,"inchikey":"IOZVKDXPBWBUKY-LQIBPGRFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.1334,"smiles":"COC1=CC=C(C=C1)\\\\C=C\\\\C(=O)\\\\C=C\\\\C2=CC=C(OC)C=C2","spectrum_id":"CCMSLIB00005722687","spectrum_index":7303},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00336197-02!(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one [IIN-based on: CCMSLIB00000847435]","exact_mass":294.126,"inchikey":"IOZVKDXPBWBUKY-LQIBPGRFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.241,"smiles":"COC1=CC=C(C=C1)\\\\C=C\\\\C(=O)\\\\C=C\\\\C2=CC=C(OC)C=C2","spectrum_id":"CCMSLIB00005722688","spectrum_index":7304},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169183-02!5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,7-dimethoxychromen-4-one [IIN-based on: CCMSLIB00000848808]","exact_mass":374.1,"inchikey":"LLDTYMGZAXZDDU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.0892,"smiles":"COC1=CC2=C(C(=O)C(OC)=C(O2)C3=CC(OC)=C(OC)C(O)=C3)C(O)=C1","spectrum_id":"CCMSLIB00005722689","spectrum_index":7305},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169183-02!5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,7-dimethoxychromen-4-one [IIN-based: Match]","exact_mass":374.1,"inchikey":"LLDTYMGZAXZDDU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.1071,"smiles":"COC1=CC2=C(C(=O)C(OC)=C(O2)C3=CC(OC)=C(OC)C(O)=C3)C(O)=C1","spectrum_id":"CCMSLIB00005722690","spectrum_index":7306},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180705-02!(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based on: CCMSLIB00000845889]","exact_mass":280.146,"inchikey":"OUAINJWTDRNZIJ-ACCUITESSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.1326,"smiles":"OC(CCC1=CC=CC=C1)CC(=O)\\\\C=C\\\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00005722691","spectrum_index":7307},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180705-02!(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based on: CCMSLIB00000845889]","exact_mass":280.146,"inchikey":"OUAINJWTDRNZIJ-ACCUITESSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.1357,"smiles":"OC(CCC1=CC=CC=C1)CC(=O)\\\\C=C\\\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00005722692","spectrum_index":7308},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180705-02!(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based on: CCMSLIB00000845889]","exact_mass":280.146,"inchikey":"OUAINJWTDRNZIJ-ACCUITESSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.1432,"smiles":"OC(CCC1=CC=CC=C1)CC(=O)\\\\C=C\\\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00005722693","spectrum_index":7309},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180705-02!(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based: Match]","exact_mass":280.146,"inchikey":"OUAINJWTDRNZIJ-ACCUITESSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.1537,"smiles":"OC(CCC1=CC=CC=C1)CC(=O)\\\\C=C\\\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00005722694","spectrum_index":7310},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180705-02!(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based on: CCMSLIB00000845889]","exact_mass":280.146,"inchikey":"OUAINJWTDRNZIJ-ACCUITESSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":583.2814,"smiles":"OC(CCC1=CC=CC=C1)CC(=O)\\\\C=C\\\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00005722695","spectrum_index":7311},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00180705-02!(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based on: CCMSLIB00000845889]","exact_mass":280.146,"inchikey":"OUAINJWTDRNZIJ-ACCUITESSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.1272,"smiles":"OC(CCC1=CC=CC=C1)CC(=O)\\\\C=C\\\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00005722696","spectrum_index":7312},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180451-03!(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol [IIN-based on: CCMSLIB00000849079]","exact_mass":578.215,"inchikey":"AVAQRWVGWWNBIN-CUAUGLLKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":617.1781,"smiles":"COC1=CC2=C(C3=C(CO[C@@H](C)[C@H]3O)C(O)=C2C(OC)=C1)C4=C5C=C(OC)C=C(OC)C5=C(O)C6=C4[C@H](O)[C@H](C)OC6","spectrum_id":"CCMSLIB00005722697","spectrum_index":7313},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180451-03!(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol [IIN-based on: CCMSLIB00000849079]","exact_mass":578.215,"inchikey":"AVAQRWVGWWNBIN-CUAUGLLKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1179.419,"smiles":"COC1=CC2=C(C3=C(CO[C@@H](C)[C@H]3O)C(O)=C2C(OC)=C1)C4=C5C=C(OC)C=C(OC)C5=C(O)C6=C4[C@H](O)[C@H](C)OC6","spectrum_id":"CCMSLIB00005722698","spectrum_index":7314},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180451-03!(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol [IIN-based on: CCMSLIB00000849079]","exact_mass":578.215,"inchikey":"AVAQRWVGWWNBIN-CUAUGLLKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":601.2044,"smiles":"COC1=CC2=C(C3=C(CO[C@@H](C)[C@H]3O)C(O)=C2C(OC)=C1)C4=C5C=C(OC)C=C(OC)C5=C(O)C6=C4[C@H](O)[C@H](C)OC6","spectrum_id":"CCMSLIB00005722699","spectrum_index":7315},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180451-03!(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol [IIN-based on: CCMSLIB00000849079]","exact_mass":578.215,"inchikey":"AVAQRWVGWWNBIN-CUAUGLLKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.201,"smiles":"COC1=CC2=C(C3=C(CO[C@@H](C)[C@H]3O)C(O)=C2C(OC)=C1)C4=C5C=C(OC)C=C(OC)C5=C(O)C6=C4[C@H](O)[C@H](C)OC6","spectrum_id":"CCMSLIB00005722700","spectrum_index":7316},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180451-03!(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol [IIN-based: Match]","exact_mass":578.215,"inchikey":"AVAQRWVGWWNBIN-CUAUGLLKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.2119,"smiles":"COC1=CC2=C(C3=C(CO[C@@H](C)[C@H]3O)C(O)=C2C(OC)=C1)C4=C5C=C(OC)C=C(OC)C5=C(O)C6=C4[C@H](O)[C@H](C)OC6","spectrum_id":"CCMSLIB00005722701","spectrum_index":7317},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180451-03!(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol [IIN-based on: CCMSLIB00000849079]","exact_mass":578.215,"inchikey":"AVAQRWVGWWNBIN-CUAUGLLKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.2219,"smiles":"COC1=CC2=C(C3=C(CO[C@@H](C)[C@H]3O)C(O)=C2C(OC)=C1)C4=C5C=C(OC)C=C(OC)C5=C(O)C6=C4[C@H](O)[C@H](C)OC6","spectrum_id":"CCMSLIB00005722702","spectrum_index":7318},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385681-01![2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate [IIN-based on: CCMSLIB00000845895]","exact_mass":378.168,"inchikey":"WPJFTNISWIMPLM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.1303,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(OC(=O)CC(C)C)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00005722703","spectrum_index":7319},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385681-01![2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate [IIN-based on: CCMSLIB00000845895]","exact_mass":378.168,"inchikey":"WPJFTNISWIMPLM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":779.3246,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(OC(=O)CC(C)C)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00005722704","spectrum_index":7320},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385681-01![2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate [IIN-based on: CCMSLIB00000845895]","exact_mass":378.168,"inchikey":"WPJFTNISWIMPLM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.157,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(OC(=O)CC(C)C)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00005722705","spectrum_index":7321},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385681-01![2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate [IIN-based: Match]","exact_mass":378.168,"inchikey":"WPJFTNISWIMPLM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.175,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(OC(=O)CC(C)C)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00005722706","spectrum_index":7322},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180783-02!5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one [IIN-based on: CCMSLIB00000848426]","exact_mass":360.085,"inchikey":"XUWTZJRCCPNNJR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":743.1586,"smiles":"COC1=C(O)C=CC(=C1)C2=C(OC)C(=O)C3=C(O2)C=C(O)C(OC)=C3O","spectrum_id":"CCMSLIB00005722707","spectrum_index":7323},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180783-02!5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one [IIN-based: Match]","exact_mass":360.085,"inchikey":"XUWTZJRCCPNNJR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.092,"smiles":"COC1=C(O)C=CC(=C1)C2=C(OC)C(=O)C3=C(O2)C=C(O)C(OC)=C3O","spectrum_id":"CCMSLIB00005722708","spectrum_index":7324},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180783-02!5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one [IIN-based on: CCMSLIB00000848426]","exact_mass":360.085,"inchikey":"XUWTZJRCCPNNJR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":383.0739,"smiles":"COC1=C(O)C=CC(=C1)C2=C(OC)C(=O)C3=C(O2)C=C(O)C(OC)=C3O","spectrum_id":"CCMSLIB00005722709","spectrum_index":7325},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169297-02!5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one [IIN-based: Match]","exact_mass":314.079,"inchikey":"ZIIAJIWLQUVGHB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.0863,"smiles":"COC1=C(OC)C(O)=C2C(=O)C=C(OC2=C1)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00005722710","spectrum_index":7326},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169961-02!4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid [IIN-based on: CCMSLIB00000847074]","exact_mass":358.215,"inchikey":"LSQRGMPMJOCLHX-GONBZBRSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.2008,"smiles":"CC(C)=CCC\\\\C(C)=C\\\\CC(O)C(\\\\C)=C\\\\CC1=C(O)C=CC(=C1)C(O)=O","spectrum_id":"CCMSLIB00005722713","spectrum_index":7327},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169961-02!4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid [IIN-based: Match]","exact_mass":358.215,"inchikey":"LSQRGMPMJOCLHX-GONBZBRSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.2115,"smiles":"CC(C)=CCC\\\\C(C)=C\\\\CC(O)C(\\\\C)=C\\\\CC1=C(O)C=CC(=C1)C(O)=O","spectrum_id":"CCMSLIB00005722714","spectrum_index":7328},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384658-01!7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one [IIN-based: Match]","exact_mass":272.068,"inchikey":"AZYVCLJYWIHOAD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.0758,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C3=C(C)COC3=O","spectrum_id":"CCMSLIB00005722717","spectrum_index":7329},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169012-02!7-[(3,3-dimethyloxiran-2-yl)methoxy]-6-methoxychromen-2-one [IIN-based: Match]","exact_mass":276.1,"inchikey":"FMXSCHCLGOEVNM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.1073,"smiles":"COC1=C(OCC2OC2(C)C)C=C3OC(=O)C=CC3=C1","spectrum_id":"CCMSLIB00005722718","spectrum_index":7330},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169070-02!4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847150]","exact_mass":304.095,"inchikey":"PEWFWDOPJISUOK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":631.1789,"smiles":"CC(C)(O)C(O)COC1=C2C=CC(=O)OC2=CC3=C1C=CO3","spectrum_id":"CCMSLIB00005722719","spectrum_index":7331},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169070-02!4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one [IIN-based: Match]","exact_mass":304.095,"inchikey":"PEWFWDOPJISUOK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.1022,"smiles":"CC(C)(O)C(O)COC1=C2C=CC(=O)OC2=CC3=C1C=CO3","spectrum_id":"CCMSLIB00005722720","spectrum_index":7332},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017182-04!3-methoxy-2-phenylfuro[2,3-h]chromen-4-one [IIN-based on: CCMSLIB00000848722]","exact_mass":292.073,"inchikey":"LKPQNZRGGNOPPU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":607.136,"smiles":"COC1=C(OC2=C(C=CC3=C2C=CO3)C1=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005722721","spectrum_index":7333},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017182-04!3-methoxy-2-phenylfuro[2,3-h]chromen-4-one [IIN-based: Match]","exact_mass":292.073,"inchikey":"LKPQNZRGGNOPPU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.0809,"smiles":"COC1=C(OC2=C(C=CC3=C2C=CO3)C1=O)C4=CC=CC=C4","spectrum_id":"CCMSLIB00005722722","spectrum_index":7334},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017269-08!7-hydroxy-3-(4-methoxyphenyl)chromen-4-one [IIN-based: Match]","exact_mass":268.074,"inchikey":"HKQYGTCOTHHOMP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.081,"smiles":"COC1=CC=C(C=C1)C2=COC3=CC(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00005722723","spectrum_index":7335},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00017269-08!7-hydroxy-3-(4-methoxyphenyl)chromen-4-one [IIN-based on: CCMSLIB00000847610]","exact_mass":268.074,"inchikey":"HKQYGTCOTHHOMP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.1362,"smiles":"COC1=CC=C(C=C1)C2=COC3=CC(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00005722724","spectrum_index":7336},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384566-01!8-hydroxy-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one [IIN-based: Match]","exact_mass":260.105,"inchikey":"KNZZAAGBIUZSNV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.1124,"smiles":"COC1=CC=C2C=C(C(=O)OC2=C1O)C(C)(C)C=C","spectrum_id":"CCMSLIB00005722725","spectrum_index":7337},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384646-01!(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one [IIN-based on: CCMSLIB00000846008]","exact_mass":310.157,"inchikey":"NJVADEFPOCMONF-LGTGAQBVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":643.3026,"smiles":"CC(C)=CC1C[C@](C)(C=C)C2=C(O1)C3=C(C)C=CC=C3OC2=O","spectrum_id":"CCMSLIB00005722726","spectrum_index":7338},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384646-01!(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one [IIN-based: Match]","exact_mass":310.157,"inchikey":"NJVADEFPOCMONF-LGTGAQBVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.1645,"smiles":"CC(C)=CC1C[C@](C)(C=C)C2=C(O1)C3=C(C)C=CC=C3OC2=O","spectrum_id":"CCMSLIB00005722727","spectrum_index":7339},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384646-01!(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one [IIN-based on: CCMSLIB00000846008]","exact_mass":310.157,"inchikey":"NJVADEFPOCMONF-LGTGAQBVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.1464,"smiles":"CC(C)=CC1C[C@](C)(C=C)C2=C(O1)C3=C(C)C=CC=C3OC2=O","spectrum_id":"CCMSLIB00005722728","spectrum_index":7340},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347615-02!methyl 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based: Match]","exact_mass":430.022,"inchikey":"UWTOESDPWKUNBD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.0297,"smiles":"COC(=O)C1=CC(O)=CC(OC)=C1OC2=C(Cl)C(C)=C(Cl)C(O)=C2C(=O)OC","spectrum_id":"CCMSLIB00005722729","spectrum_index":7341},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347615-02!methyl 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based on: CCMSLIB00000847501]","exact_mass":430.022,"inchikey":"UWTOESDPWKUNBD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":883.033,"smiles":"COC(=O)C1=CC(O)=CC(OC)=C1OC2=C(Cl)C(C)=C(Cl)C(O)=C2C(=O)OC","spectrum_id":"CCMSLIB00005722730","spectrum_index":7342},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347615-02!methyl 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based on: CCMSLIB00000847501]","exact_mass":430.022,"inchikey":"UWTOESDPWKUNBD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.0118,"smiles":"COC(=O)C1=CC(O)=CC(OC)=C1OC2=C(Cl)C(C)=C(Cl)C(O)=C2C(=O)OC","spectrum_id":"CCMSLIB00005722731","spectrum_index":7343},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384531-01!3-(2,4-dihydroxyphenyl)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":408.194,"inchikey":"QUBRRXBPXPHDJO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.2011,"smiles":"CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OCC(C(=O)C2=C1)C3=CC=C(O)C=C3O","spectrum_id":"CCMSLIB00005722732","spectrum_index":7344},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384531-01!3-(2,4-dihydroxyphenyl)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848275]","exact_mass":408.194,"inchikey":"QUBRRXBPXPHDJO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.1832,"smiles":"CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OCC(C(=O)C2=C1)C3=CC=C(O)C=C3O","spectrum_id":"CCMSLIB00005722733","spectrum_index":7345},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384561-01![1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848725]","exact_mass":378.168,"inchikey":"GMMHQFAVUZIMEL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":779.3239,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(O)C(OC(=O)CC(C)C)C(C)(C)O","spectrum_id":"CCMSLIB00005722734","spectrum_index":7346},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384561-01![1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848725]","exact_mass":378.168,"inchikey":"GMMHQFAVUZIMEL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.1568,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(O)C(OC(=O)CC(C)C)C(C)(C)O","spectrum_id":"CCMSLIB00005722735","spectrum_index":7347},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384561-01![1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbutanoate [IIN-based: Match]","exact_mass":378.168,"inchikey":"GMMHQFAVUZIMEL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.175,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(O)C(OC(=O)CC(C)C)C(C)(C)O","spectrum_id":"CCMSLIB00005722736","spectrum_index":7348},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169702-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one [IIN-based on: CCMSLIB00000847634]","exact_mass":294.183,"inchikey":"NLDDIKRKFXEWBK-CQSZACIVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.1727,"smiles":"CCCCC[C@@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00005722737","spectrum_index":7349},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00169702-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one [IIN-based on: CCMSLIB00000847634]","exact_mass":294.183,"inchikey":"NLDDIKRKFXEWBK-CQSZACIVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.1639,"smiles":"CCCCC[C@@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00005722738","spectrum_index":7350},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169702-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one [IIN-based on: CCMSLIB00000847634]","exact_mass":294.183,"inchikey":"NLDDIKRKFXEWBK-CQSZACIVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.1694,"smiles":"CCCCC[C@@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00005722739","spectrum_index":7351},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169702-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one [IIN-based: Match]","exact_mass":294.183,"inchikey":"NLDDIKRKFXEWBK-CQSZACIVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.18,"smiles":"CCCCC[C@@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1","spectrum_id":"CCMSLIB00005722740","spectrum_index":7352},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180837-02!3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000847997]","exact_mass":322.084,"inchikey":"UGEKKXLEYACFTD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.0808,"smiles":"CC1(O)CC(=O)C2=C3C(=O)C4=C(C(O)=CC=C4)C(=O)C3=CC=C2C1","spectrum_id":"CCMSLIB00005722741","spectrum_index":7353},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180837-02!3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000847997]","exact_mass":322.084,"inchikey":"UGEKKXLEYACFTD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":667.157,"smiles":"CC1(O)CC(=O)C2=C3C(=O)C4=C(C(O)=CC=C4)C(=O)C3=CC=C2C1","spectrum_id":"CCMSLIB00005722742","spectrum_index":7354},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180837-02!3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based: Match]","exact_mass":322.084,"inchikey":"UGEKKXLEYACFTD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.0914,"smiles":"CC1(O)CC(=O)C2=C3C(=O)C4=C(C(O)=CC=C4)C(=O)C3=CC=C2C1","spectrum_id":"CCMSLIB00005722743","spectrum_index":7355},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384571-01!(E)-3-(4-hydroxyphenyl)-N-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propyl]amino]butyl]amino]propyl]prop-2-enamide [IIN-based: Match]","exact_mass":786.363,"inchikey":"KKJYIHSXTUGJLP-BRJCPHQQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":787.3702,"smiles":"OC1=CC=C(\\\\C=C\\\\C(=O)NCCCN(CCCCN(CCCNC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)C(=O)\\\\C=C\\\\C3=CC=C(O)C=C3)C(=O)\\\\C=C\\\\C4=CC=C(O)C=C4)C=C1","spectrum_id":"CCMSLIB00005722744","spectrum_index":7356},{"adduct":"[M+2H]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00384571-01!(E)-3-(4-hydroxyphenyl)-N-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propyl]amino]butyl]amino]propyl]prop-2-enamide [IIN-based on: CCMSLIB00000847637]","exact_mass":786.363,"inchikey":"KKJYIHSXTUGJLP-BRJCPHQQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":394.1891,"smiles":"OC1=CC=C(\\\\C=C\\\\C(=O)NCCCN(CCCCN(CCCNC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)C(=O)\\\\C=C\\\\C3=CC=C(O)C=C3)C(=O)\\\\C=C\\\\C4=CC=C(O)C=C4)C=C1","spectrum_id":"CCMSLIB00005722745","spectrum_index":7357},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00384571-01!(E)-3-(4-hydroxyphenyl)-N-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propyl]amino]butyl]amino]propyl]prop-2-enamide [IIN-based on: CCMSLIB00000847637]","exact_mass":786.363,"inchikey":"KKJYIHSXTUGJLP-BRJCPHQQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.1617,"smiles":"OC1=CC=C(\\\\C=C\\\\C(=O)NCCCN(CCCCN(CCCNC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)C(=O)\\\\C=C\\\\C3=CC=C(O)C=C3)C(=O)\\\\C=C\\\\C4=CC=C(O)C=C4)C=C1","spectrum_id":"CCMSLIB00005722746","spectrum_index":7358},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384571-01!(E)-3-(4-hydroxyphenyl)-N-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propyl]amino]butyl]amino]propyl]prop-2-enamide [IIN-based on: CCMSLIB00000847637]","exact_mass":786.363,"inchikey":"KKJYIHSXTUGJLP-BRJCPHQQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":809.3517,"smiles":"OC1=CC=C(\\\\C=C\\\\C(=O)NCCCN(CCCCN(CCCNC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)C(=O)\\\\C=C\\\\C3=CC=C(O)C=C3)C(=O)\\\\C=C\\\\C4=CC=C(O)C=C4)C=C1","spectrum_id":"CCMSLIB00005722747","spectrum_index":7359},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347765-02![(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate [IIN-based on: CCMSLIB00000846974]","exact_mass":433.165,"inchikey":"ZQLIAKJHIRHCFA-XIIQHIPDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":456.1548,"smiles":"CC[C@H](C)\\\\C=C(C)\\\\C=C\\\\C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO","spectrum_id":"CCMSLIB00005722748","spectrum_index":7360},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347765-02![(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate [IIN-based: Match]","exact_mass":433.165,"inchikey":"ZQLIAKJHIRHCFA-XIIQHIPDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":434.173,"smiles":"CC[C@H](C)\\\\C=C(C)\\\\C=C\\\\C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO","spectrum_id":"CCMSLIB00005722749","spectrum_index":7361},{"adduct":"[2M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347765-02![(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate [IIN-based on: CCMSLIB00000846974]","exact_mass":433.165,"inchikey":"ZQLIAKJHIRHCFA-XIIQHIPDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":905.2926,"smiles":"CC[C@H](C)\\\\C=C(C)\\\\C=C\\\\C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO","spectrum_id":"CCMSLIB00005722750","spectrum_index":7362},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347765-02![(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate [IIN-based on: CCMSLIB00000846974]","exact_mass":433.165,"inchikey":"ZQLIAKJHIRHCFA-XIIQHIPDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":889.319,"smiles":"CC[C@H](C)\\\\C=C(C)\\\\C=C\\\\C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO","spectrum_id":"CCMSLIB00005722751","spectrum_index":7363},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347765-02![(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate [IIN-based on: CCMSLIB00000846974]","exact_mass":433.165,"inchikey":"ZQLIAKJHIRHCFA-XIIQHIPDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":472.1287,"smiles":"CC[C@H](C)\\\\C=C(C)\\\\C=C\\\\C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO","spectrum_id":"CCMSLIB00005722752","spectrum_index":7364},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00142613-04!5-methoxy-2-phenylchromen-4-one [IIN-based: Match]","exact_mass":252.079,"inchikey":"XRQSPUXANRGDAV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.0861,"smiles":"COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722753","spectrum_index":7365},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00142613-04!5-methoxy-2-phenylchromen-4-one [IIN-based on: CCMSLIB00000847375]","exact_mass":252.079,"inchikey":"XRQSPUXANRGDAV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.068,"smiles":"COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722754","spectrum_index":7366},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00142613-04!5-methoxy-2-phenylchromen-4-one [IIN-based on: CCMSLIB00000847375]","exact_mass":252.079,"inchikey":"XRQSPUXANRGDAV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":527.1468,"smiles":"COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722755","spectrum_index":7367},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00091904-06!4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one [IIN-based on: CCMSLIB00000845942]","exact_mass":228.079,"inchikey":"DKKJNZYHGRUXBS-BQYQJAHWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.0678,"smiles":"COC1=CC(=O)OC(\\\\C=C\\\\C2=CC=CC=C2)=C1","spectrum_id":"CCMSLIB00005722756","spectrum_index":7368},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00091904-06!4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one [IIN-based: Match]","exact_mass":228.079,"inchikey":"DKKJNZYHGRUXBS-BQYQJAHWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.0859,"smiles":"COC1=CC(=O)OC(\\\\C=C\\\\C2=CC=CC=C2)=C1","spectrum_id":"CCMSLIB00005722757","spectrum_index":7369},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate [IIN-based: Match]","exact_mass":553.325,"inchikey":"BJMXBTRNBWZGEQ-FKYXSWMHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":576.3144,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)\\\\C=C(\\\\C)C(O)C(C)C(=O)CCCC(CC(N)=O)CC(=O)OC","spectrum_id":"CCMSLIB00005722759","spectrum_index":7370},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate [IIN-based on: CCMSLIB00000846986]","exact_mass":553.325,"inchikey":"BJMXBTRNBWZGEQ-FKYXSWMHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":573.3062,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)\\\\C=C(\\\\C)C(O)C(C)C(=O)CCCC(CC(N)=O)CC(=O)OC","spectrum_id":"CCMSLIB00005722760","spectrum_index":7371},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate [IIN-based on: CCMSLIB00000846986]","exact_mass":553.325,"inchikey":"BJMXBTRNBWZGEQ-FKYXSWMHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":554.3326,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)\\\\C=C(\\\\C)C(O)C(C)C(=O)CCCC(CC(N)=O)CC(=O)OC","spectrum_id":"CCMSLIB00005722761","spectrum_index":7372},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate [IIN-based on: CCMSLIB00000846986]","exact_mass":553.325,"inchikey":"BJMXBTRNBWZGEQ-FKYXSWMHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":518.3113,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)\\\\C=C(\\\\C)C(O)C(C)C(=O)CCCC(CC(N)=O)CC(=O)OC","spectrum_id":"CCMSLIB00005722763","spectrum_index":7373},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate [IIN-based on: CCMSLIB00000846986]","exact_mass":553.325,"inchikey":"BJMXBTRNBWZGEQ-FKYXSWMHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":296.6432,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)\\\\C=C(\\\\C)C(O)C(C)C(=O)CCCC(CC(N)=O)CC(=O)OC","spectrum_id":"CCMSLIB00005722764","spectrum_index":7374},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate [IIN-based on: CCMSLIB00000846986]","exact_mass":553.325,"inchikey":"BJMXBTRNBWZGEQ-FKYXSWMHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.3217,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)\\\\C=C(\\\\C)C(O)C(C)C(=O)CCCC(CC(N)=O)CC(=O)OC","spectrum_id":"CCMSLIB00005722765","spectrum_index":7375},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","exact_mass":794.429,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.437,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722766","spectrum_index":7376},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","exact_mass":794.429,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":812.464,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722767","spectrum_index":7377},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","exact_mass":794.429,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":839.3994,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722768","spectrum_index":7378},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","exact_mass":794.429,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":817.4184,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722769","spectrum_index":7379},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","exact_mass":794.429,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.1956,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722770","spectrum_index":7380},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","exact_mass":794.429,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":759.4161,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722771","spectrum_index":7381},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","exact_mass":794.429,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":833.3917,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722772","spectrum_index":7382},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based: Match]","exact_mass":794.429,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":777.4263,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722773","spectrum_index":7383},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848597]","exact_mass":752.42,"inchikey":"CPKXIKIVLSMABL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":770.4551,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722774","spectrum_index":7384},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based: Match]","exact_mass":752.42,"inchikey":"CPKXIKIVLSMABL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":735.417,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722775","spectrum_index":7385},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848597]","exact_mass":752.42,"inchikey":"CPKXIKIVLSMABL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":753.4274,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722776","spectrum_index":7386},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848597]","exact_mass":752.42,"inchikey":"CPKXIKIVLSMABL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":717.4077,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722777","spectrum_index":7387},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848597]","exact_mass":752.42,"inchikey":"CPKXIKIVLSMABL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":775.4095,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722778","spectrum_index":7388},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848597]","exact_mass":752.42,"inchikey":"CPKXIKIVLSMABL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":396.1908,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722779","spectrum_index":7389},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848597]","exact_mass":752.42,"inchikey":"CPKXIKIVLSMABL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":791.3799,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722780","spectrum_index":7390},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386054-01!5-(10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol [IIN-based on: CCMSLIB00000848685]","exact_mass":562.22,"inchikey":"WPGPKDAIJINNNL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1147.4295,"smiles":"COC1=CC(OC)=C2C(O)=C3COC(C)CC3=C(C2=C1)C4=C5C(O)C(C)OCC5=C(O)C6=C(OC)C=C(OC)C=C46","spectrum_id":"CCMSLIB00005722781","spectrum_index":7391},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386054-01!5-(10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol [IIN-based on: CCMSLIB00000848685]","exact_mass":562.22,"inchikey":"WPGPKDAIJINNNL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":601.184,"smiles":"COC1=CC(OC)=C2C(O)=C3COC(C)CC3=C(C2=C1)C4=C5C(O)C(C)OCC5=C(O)C6=C(OC)C=C(OC)C=C46","spectrum_id":"CCMSLIB00005722782","spectrum_index":7392},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386054-01!5-(10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol [IIN-based: Match]","exact_mass":562.22,"inchikey":"WPGPKDAIJINNNL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.217,"smiles":"COC1=CC(OC)=C2C(O)=C3COC(C)CC3=C(C2=C1)C4=C5C(O)C(C)OCC5=C(O)C6=C(OC)C=C(OC)C=C46","spectrum_id":"CCMSLIB00005722783","spectrum_index":7393},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00386071-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846977]","exact_mass":524.283,"inchikey":"UCAFTLMODRRASO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.1224,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722784","spectrum_index":7394},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386071-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846977]","exact_mass":524.283,"inchikey":"UCAFTLMODRRASO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.2695,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722785","spectrum_index":7395},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386071-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846977]","exact_mass":524.283,"inchikey":"UCAFTLMODRRASO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.2464,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722786","spectrum_index":7396},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386071-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846977]","exact_mass":524.283,"inchikey":"UCAFTLMODRRASO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":542.317,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722787","spectrum_index":7397},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386071-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based: Match]","exact_mass":524.283,"inchikey":"UCAFTLMODRRASO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":525.2903,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722788","spectrum_index":7398},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386071-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846977]","exact_mass":524.283,"inchikey":"UCAFTLMODRRASO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":507.2798,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722789","spectrum_index":7399},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386071-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846977]","exact_mass":524.283,"inchikey":"UCAFTLMODRRASO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":547.2722,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722790","spectrum_index":7400},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386091-01!2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate [IIN-based: Match]","exact_mass":780.414,"inchikey":"OXQSHEREUUUCEE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":781.4215,"smiles":"CCC(C)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)C)C(C)CC)C(C)CC)C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722791","spectrum_index":7401},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386091-01!2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848686]","exact_mass":780.414,"inchikey":"OXQSHEREUUUCEE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":763.4109,"smiles":"CCC(C)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)C)C(C)CC)C(C)CC)C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722792","spectrum_index":7402},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386091-01!2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848686]","exact_mass":780.414,"inchikey":"OXQSHEREUUUCEE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":745.4005,"smiles":"CCC(C)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)C)C(C)CC)C(C)CC)C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722793","spectrum_index":7403},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386091-01!2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848686]","exact_mass":780.414,"inchikey":"OXQSHEREUUUCEE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":798.448,"smiles":"CCC(C)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)C)C(C)CC)C(C)CC)C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722794","spectrum_index":7404},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00386091-01!2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848686]","exact_mass":780.414,"inchikey":"OXQSHEREUUUCEE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":410.1875,"smiles":"CCC(C)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)C)C(C)CC)C(C)CC)C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722795","spectrum_index":7405},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386091-01!2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848686]","exact_mass":780.414,"inchikey":"OXQSHEREUUUCEE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":819.3749,"smiles":"CCC(C)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)C)C(C)CC)C(C)CC)C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722796","spectrum_index":7406},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386091-01!2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848686]","exact_mass":780.414,"inchikey":"OXQSHEREUUUCEE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":803.4033,"smiles":"CCC(C)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)C)C(C)CC)C(C)CC)C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722797","spectrum_index":7407},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00386062-01!(3S,6R,12S)-6-benzyl-3-butan-2-yl-9-(6,7-dihydroxyoctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000847982]","exact_mass":572.357,"inchikey":"DXSMIOSVACQXTE-BDADPDBISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":306.1593,"smiles":"CCC(C)[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C(CCCCCC(O)C(C)O)NC(=O)[C@@H]3CCCCN3C1=O","spectrum_id":"CCMSLIB00005722798","spectrum_index":7408},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386062-01!(3S,6R,12S)-6-benzyl-3-butan-2-yl-9-(6,7-dihydroxyoctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000847982]","exact_mass":572.357,"inchikey":"DXSMIOSVACQXTE-BDADPDBISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.3468,"smiles":"CCC(C)[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C(CCCCCC(O)C(C)O)NC(=O)[C@@H]3CCCCN3C1=O","spectrum_id":"CCMSLIB00005722799","spectrum_index":7409},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386062-01!(3S,6R,12S)-6-benzyl-3-butan-2-yl-9-(6,7-dihydroxyoctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone [IIN-based: Match]","exact_mass":572.357,"inchikey":"DXSMIOSVACQXTE-BDADPDBISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":573.3649,"smiles":"CCC(C)[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C(CCCCCC(O)C(C)O)NC(=O)[C@@H]3CCCCN3C1=O","spectrum_id":"CCMSLIB00005722800","spectrum_index":7410},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386079-01! [IIN-based: Match]","exact_mass":426.131,"inchikey":"ICLRNDIRYAEKCT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.1386,"smiles":"COC1=C2C(OC3OC=CC23O)=CC4=C1C(=O)C5=C(O)C=CC(CCC(C)(C)O)=C5O4","spectrum_id":"CCMSLIB00005722801","spectrum_index":7411},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169972-02!3,6-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000847976]","exact_mass":352.095,"inchikey":"LQIPGPPZCXJWKY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.0915,"smiles":"COC1=C2C(=O)C3=C(O)C=C4CC(C)(O)CC(=O)C4=C3C(=O)C2=CC=C1","spectrum_id":"CCMSLIB00005722802","spectrum_index":7412},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169972-02!3,6-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000847976]","exact_mass":352.095,"inchikey":"LQIPGPPZCXJWKY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":727.1784,"smiles":"COC1=C2C(=O)C3=C(O)C=C4CC(C)(O)CC(=O)C4=C3C(=O)C2=CC=C1","spectrum_id":"CCMSLIB00005722803","spectrum_index":7413},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169972-02!3,6-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based: Match]","exact_mass":352.095,"inchikey":"LQIPGPPZCXJWKY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.1026,"smiles":"COC1=C2C(=O)C3=C(O)C=C4CC(C)(O)CC(=O)C4=C3C(=O)C2=CC=C1","spectrum_id":"CCMSLIB00005722804","spectrum_index":7414},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169972-02!3,6-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000847976]","exact_mass":352.095,"inchikey":"LQIPGPPZCXJWKY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.0843,"smiles":"COC1=C2C(=O)C3=C(O)C=C4CC(C)(O)CC(=O)C4=C3C(=O)C2=CC=C1","spectrum_id":"CCMSLIB00005722805","spectrum_index":7415},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169972-02!3,6-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000847976]","exact_mass":352.095,"inchikey":"LQIPGPPZCXJWKY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.0577,"smiles":"COC1=C2C(=O)C3=C(O)C=C4CC(C)(O)CC(=O)C4=C3C(=O)C2=CC=C1","spectrum_id":"CCMSLIB00005722806","spectrum_index":7416},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00386067-01!2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid [IIN-based on: CCMSLIB00000846988]","exact_mass":587.367,"inchikey":"CYKDMNNWBMLNSF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.6641,"smiles":"CCCCC(C)C(=O)C(CC(C)CCCCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005722807","spectrum_index":7417},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386067-01!2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid [IIN-based on: CCMSLIB00000846988]","exact_mass":587.367,"inchikey":"CYKDMNNWBMLNSF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":570.3638,"smiles":"CCCCC(C)C(=O)C(CC(C)CCCCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005722808","spectrum_index":7418},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386067-01!2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid [IIN-based: Match]","exact_mass":587.367,"inchikey":"CYKDMNNWBMLNSF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":588.3745,"smiles":"CCCCC(C)C(=O)C(CC(C)CCCCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005722809","spectrum_index":7419},{"adduct":"[M+Ca-H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386067-01!2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid [IIN-based on: CCMSLIB00000846988]","exact_mass":587.367,"inchikey":"CYKDMNNWBMLNSF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":626.3219,"smiles":"CCCCC(C)C(=O)C(CC(C)CCCCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005722810","spectrum_index":7420},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386067-01!2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid [IIN-based on: CCMSLIB00000846988]","exact_mass":587.367,"inchikey":"CYKDMNNWBMLNSF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":610.3565,"smiles":"CCCCC(C)C(=O)C(CC(C)CCCCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(O)=O)C(O)=O","spectrum_id":"CCMSLIB00005722811","spectrum_index":7421},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","exact_mass":794.43,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":759.417,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722812","spectrum_index":7422},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","exact_mass":794.43,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.1956,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722813","spectrum_index":7423},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","exact_mass":794.43,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":817.4181,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722814","spectrum_index":7424},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","exact_mass":794.43,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":833.3917,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722815","spectrum_index":7425},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based: Match]","exact_mass":794.43,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":777.4268,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722816","spectrum_index":7426},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","exact_mass":794.43,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":812.4635,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722817","spectrum_index":7427},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386100-01! [IIN-based: Match]","exact_mass":426.131,"inchikey":"PWDXABLHFDFFEB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.1389,"smiles":"COC1=C2C3C=COC3OC2=CC4=C1C(=O)C5=C(O)C=CC(C(O)CC(C)(C)O)=C5O4","spectrum_id":"CCMSLIB00005722818","spectrum_index":7428},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386100-01! [IIN-based on: CCMSLIB00000846637]","exact_mass":426.131,"inchikey":"PWDXABLHFDFFEB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.1278,"smiles":"COC1=C2C3C=COC3OC2=CC4=C1C(=O)C5=C(O)C=CC(C(O)CC(C)(C)O)=C5O4","spectrum_id":"CCMSLIB00005722819","spectrum_index":7429},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386100-01! [IIN-based on: CCMSLIB00000846637]","exact_mass":426.131,"inchikey":"PWDXABLHFDFFEB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":875.2517,"smiles":"COC1=C2C3C=COC3OC2=CC4=C1C(=O)C5=C(O)C=CC(C(O)CC(C)(C)O)=C5O4","spectrum_id":"CCMSLIB00005722820","spectrum_index":7430},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347824-02!6-[(2E,6E)-4,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one [IIN-based on: CCMSLIB00000848593]","exact_mass":420.215,"inchikey":"HYVHGKDHDRBYPY-DCIPZJNNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.2113,"smiles":"COC1=CC(=O)OC(\\\\C(C)=C\\\\C(C)(O)C(O)C(\\\\C)=C\\\\C2(C)OC(C)C3(C)OC23)=C1C","spectrum_id":"CCMSLIB00005722821","spectrum_index":7431},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347824-02!6-[(2E,6E)-4,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one [IIN-based on: CCMSLIB00000848593]","exact_mass":420.215,"inchikey":"HYVHGKDHDRBYPY-DCIPZJNNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.2009,"smiles":"COC1=CC(=O)OC(\\\\C(C)=C\\\\C(C)(O)C(O)C(\\\\C)=C\\\\C2(C)OC(C)C3(C)OC23)=C1C","spectrum_id":"CCMSLIB00005722822","spectrum_index":7432},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347824-02!6-[(2E,6E)-4,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one [IIN-based: Match]","exact_mass":420.215,"inchikey":"HYVHGKDHDRBYPY-DCIPZJNNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.2221,"smiles":"COC1=CC(=O)OC(\\\\C(C)=C\\\\C(C)(O)C(O)C(\\\\C)=C\\\\C2(C)OC(C)C3(C)OC23)=C1C","spectrum_id":"CCMSLIB00005722823","spectrum_index":7433},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347824-02!6-[(2E,6E)-4,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one [IIN-based on: CCMSLIB00000848593]","exact_mass":420.215,"inchikey":"HYVHGKDHDRBYPY-DCIPZJNNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":863.4181,"smiles":"COC1=CC(=O)OC(\\\\C(C)=C\\\\C(C)(O)C(O)C(\\\\C)=C\\\\C2(C)OC(C)C3(C)OC23)=C1C","spectrum_id":"CCMSLIB00005722824","spectrum_index":7434},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347824-02!6-[(2E,6E)-4,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one [IIN-based on: CCMSLIB00000848593]","exact_mass":420.215,"inchikey":"HYVHGKDHDRBYPY-DCIPZJNNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":443.204,"smiles":"COC1=CC(=O)OC(\\\\C(C)=C\\\\C(C)(O)C(O)C(\\\\C)=C\\\\C2(C)OC(C)C3(C)OC23)=C1C","spectrum_id":"CCMSLIB00005722825","spectrum_index":7435},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386102-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5-tetrahydroxypentoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846998]","exact_mass":764.419,"inchikey":"YJXRPXBRYBCYRH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":803.3811,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722826","spectrum_index":7436},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386102-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5-tetrahydroxypentoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846998]","exact_mass":764.419,"inchikey":"YJXRPXBRYBCYRH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":729.4054,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722827","spectrum_index":7437},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00386102-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5-tetrahydroxypentoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846998]","exact_mass":764.419,"inchikey":"YJXRPXBRYBCYRH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.1903,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722828","spectrum_index":7438},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386102-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5-tetrahydroxypentoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based: Match]","exact_mass":764.419,"inchikey":"YJXRPXBRYBCYRH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":782.4528,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722829","spectrum_index":7439},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386102-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5-tetrahydroxypentoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846998]","exact_mass":764.419,"inchikey":"YJXRPXBRYBCYRH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":765.4257,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722830","spectrum_index":7440},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386102-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5-tetrahydroxypentoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846998]","exact_mass":764.419,"inchikey":"YJXRPXBRYBCYRH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":747.4157,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722831","spectrum_index":7441},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386096-01!(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid [IIN-based on: CCMSLIB00000848683]","exact_mass":539.31,"inchikey":"RSNBAEGFNZIXPM-VDKFNAMPSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":562.2991,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)C(O)C(\\\\C)=C\\\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00005722832","spectrum_index":7442},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386096-01!(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid [IIN-based: Match]","exact_mass":539.31,"inchikey":"RSNBAEGFNZIXPM-VDKFNAMPSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.3067,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)C(O)C(\\\\C)=C\\\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00005722833","spectrum_index":7443},{"adduct":"[M+Ca-H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386096-01!(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid [IIN-based on: CCMSLIB00000848683]","exact_mass":539.31,"inchikey":"RSNBAEGFNZIXPM-VDKFNAMPSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":578.2644,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)C(O)C(\\\\C)=C\\\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00005722834","spectrum_index":7444},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386096-01!(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid [IIN-based on: CCMSLIB00000848683]","exact_mass":539.31,"inchikey":"RSNBAEGFNZIXPM-VDKFNAMPSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":584.2808,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)C(O)C(\\\\C)=C\\\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00005722835","spectrum_index":7445},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00386096-01!(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid [IIN-based on: CCMSLIB00000848683]","exact_mass":539.31,"inchikey":"RSNBAEGFNZIXPM-VDKFNAMPSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.6358,"smiles":"COC(\\\\C=C\\\\CC\\\\C=C\\\\C(=O)OC)C(O)C(C)C(O)C(\\\\C)=C\\\\C(C)C(=O)CCCC(CC(N)=O)CC(O)=O","spectrum_id":"CCMSLIB00005722836","spectrum_index":7446},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848597]","exact_mass":752.42,"inchikey":"CPKXIKIVLSMABL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":775.4104,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722837","spectrum_index":7447},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848597]","exact_mass":752.42,"inchikey":"CPKXIKIVLSMABL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":770.454,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722838","spectrum_index":7448},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based: Match]","exact_mass":752.42,"inchikey":"CPKXIKIVLSMABL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":735.4171,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722839","spectrum_index":7449},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848597]","exact_mass":752.42,"inchikey":"CPKXIKIVLSMABL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":396.1908,"smiles":"CCC(C)C(O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OCC(O)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722840","spectrum_index":7450},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based: Match]","exact_mass":794.43,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":777.4264,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722841","spectrum_index":7451},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","exact_mass":794.43,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":759.4166,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722842","spectrum_index":7452},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","exact_mass":794.43,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":833.3916,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722843","spectrum_index":7453},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","exact_mass":794.43,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":417.1955,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722844","spectrum_index":7454},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","exact_mass":794.43,"inchikey":"HOFGZJTZROMXRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":812.4636,"smiles":"CCC(C)C(OC(C)=O)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(C(C)CC)C(=O)OC(CO)C(O)C(O)C(O)CO","spectrum_id":"CCMSLIB00005722845","spectrum_index":7455},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095850-04!5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one [IIN-based: Match]","exact_mass":372.121,"inchikey":"ULSUXBXHSYSGDT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.1284,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(OC)C(OC)=C(OC)C(OC)=C3O2","spectrum_id":"CCMSLIB00005722846","spectrum_index":7456},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095850-04!5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one [IIN-based on: CCMSLIB00000848340]","exact_mass":372.121,"inchikey":"ULSUXBXHSYSGDT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":767.2309,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(OC)C(OC)=C(OC)C(OC)=C3O2","spectrum_id":"CCMSLIB00005722847","spectrum_index":7457},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095850-04!5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one [IIN-based on: CCMSLIB00000848340]","exact_mass":372.121,"inchikey":"ULSUXBXHSYSGDT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.1103,"smiles":"COC1=CC=C(C=C1)C2=CC(=O)C3=C(OC)C(OC)=C(OC)C(OC)=C3O2","spectrum_id":"CCMSLIB00005722848","spectrum_index":7458},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386021-01!8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one [IIN-based on: CCMSLIB00000848572]","exact_mass":394.141,"inchikey":"OBIUGMGQVQMVSK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":811.2719,"smiles":"COC1=CC(OC)=C(C=C1OC)C2=COC3=C4C=CC(C)(C)OC4=CC=C3C2=O","spectrum_id":"CCMSLIB00005722849","spectrum_index":7459},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00386021-01!8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one [IIN-based: Match]","exact_mass":394.141,"inchikey":"OBIUGMGQVQMVSK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.1488,"smiles":"COC1=CC(OC)=C(C=C1OC)C2=COC3=C4C=CC(C)(C)OC4=CC=C3C2=O","spectrum_id":"CCMSLIB00005722850","spectrum_index":7460},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00142553-05!5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848562]","exact_mass":284.105,"inchikey":"IAFBOKYTDSDNHV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":591.199,"smiles":"COC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(OC)=C1","spectrum_id":"CCMSLIB00005722851","spectrum_index":7461},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00142553-05!5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848562]","exact_mass":284.105,"inchikey":"IAFBOKYTDSDNHV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.0943,"smiles":"COC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(OC)=C1","spectrum_id":"CCMSLIB00005722852","spectrum_index":7462},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00142553-05!5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":284.105,"inchikey":"IAFBOKYTDSDNHV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.1124,"smiles":"COC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(OC)=C1","spectrum_id":"CCMSLIB00005722853","spectrum_index":7463},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385815-01!(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848308]","exact_mass":368.163,"inchikey":"DKYFESWWIPJYTA-DVQDXYAYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.1518,"smiles":"COC1=CC(OC)=C2C(=O)C[C@H](OC2=C1\\\\C=C\\\\C(C)(C)O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722854","spectrum_index":7464},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385815-01!(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":368.163,"inchikey":"DKYFESWWIPJYTA-DVQDXYAYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.1699,"smiles":"COC1=CC(OC)=C2C(=O)C[C@H](OC2=C1\\\\C=C\\\\C(C)(C)O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722855","spectrum_index":7465},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385815-01!(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848308]","exact_mass":368.163,"inchikey":"DKYFESWWIPJYTA-DVQDXYAYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.1592,"smiles":"COC1=CC(OC)=C2C(=O)C[C@H](OC2=C1\\\\C=C\\\\C(C)(C)O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722856","spectrum_index":7466},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385815-01!(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848308]","exact_mass":368.163,"inchikey":"DKYFESWWIPJYTA-DVQDXYAYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":759.3138,"smiles":"COC1=CC(OC)=C2C(=O)C[C@H](OC2=C1\\\\C=C\\\\C(C)(C)O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722857","spectrum_index":7467},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385213-01!7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one [IIN-based on: CCMSLIB00000848834]","exact_mass":322.121,"inchikey":"OBGPEBYHGIUFBN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":345.11,"smiles":"CC(C)=CCC1=CC(=CC=C1O)C2=COC3=CC(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00005722859","spectrum_index":7468},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385213-01!7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one [IIN-based: Match]","exact_mass":322.121,"inchikey":"OBGPEBYHGIUFBN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.1279,"smiles":"CC(C)=CCC1=CC(=CC=C1O)C2=COC3=CC(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00005722860","spectrum_index":7469},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385213-01!7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one [IIN-based on: CCMSLIB00000848834]","exact_mass":322.121,"inchikey":"OBGPEBYHGIUFBN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":667.2304,"smiles":"CC(C)=CCC1=CC(=CC=C1O)C2=COC3=CC(O)=CC=C3C2=O","spectrum_id":"CCMSLIB00005722861","spectrum_index":7470},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347563-02![1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847459]","exact_mass":376.152,"inchikey":"GFMYIOGFYYHKLA-IZZDOVSWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":359.149,"smiles":"COC1=CC2=C(C=CC(=O)O2)C=C1C(O)C(OC(=O)C(\\\\C)=C\\\\C)C(C)(C)O","spectrum_id":"CCMSLIB00005722862","spectrum_index":7471},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347563-02![1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based: Match]","exact_mass":376.152,"inchikey":"GFMYIOGFYYHKLA-IZZDOVSWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.1595,"smiles":"COC1=CC2=C(C=CC(=O)O2)C=C1C(O)C(OC(=O)C(\\\\C)=C\\\\C)C(C)(C)O","spectrum_id":"CCMSLIB00005722863","spectrum_index":7472},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00347563-02![1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847459]","exact_mass":376.152,"inchikey":"GFMYIOGFYYHKLA-IZZDOVSWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":396.1329,"smiles":"COC1=CC2=C(C=CC(=O)O2)C=C1C(O)C(OC(=O)C(\\\\C)=C\\\\C)C(C)(C)O","spectrum_id":"CCMSLIB00005722864","spectrum_index":7473},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347563-02![1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847459]","exact_mass":376.152,"inchikey":"GFMYIOGFYYHKLA-IZZDOVSWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":775.2931,"smiles":"COC1=CC2=C(C=CC(=O)O2)C=C1C(O)C(OC(=O)C(\\\\C)=C\\\\C)C(C)(C)O","spectrum_id":"CCMSLIB00005722865","spectrum_index":7474},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385674-01!6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydroisochromen-1-one [IIN-based on: CCMSLIB00000846799]","exact_mass":350.209,"inchikey":"YLEKEQNOOIMZQM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.2058,"smiles":"CC(O)CCCCCCCCCC1CC2=CC(O)=CC(O)=C2C(=O)O1","spectrum_id":"CCMSLIB00005722866","spectrum_index":7475},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385674-01!6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydroisochromen-1-one [IIN-based on: CCMSLIB00000846799]","exact_mass":350.209,"inchikey":"YLEKEQNOOIMZQM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.195,"smiles":"CC(O)CCCCCCCCCC1CC2=CC(O)=CC(O)=C2C(=O)O1","spectrum_id":"CCMSLIB00005722867","spectrum_index":7476},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385674-01!6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydroisochromen-1-one [IIN-based: Match]","exact_mass":350.209,"inchikey":"YLEKEQNOOIMZQM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.2167,"smiles":"CC(O)CCCCCCCCCC1CC2=CC(O)=CC(O)=C2C(=O)O1","spectrum_id":"CCMSLIB00005722869","spectrum_index":7477},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385215-01! [IIN-based: Match]","exact_mass":426.132,"inchikey":"OFLCPNIRDVOOEZ-WZONZLPQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.1289,"smiles":"COC1=CC2=C(C=C1OC)[C@@]3(O)[C@@H](CO2)OC4=C(C(O)=CC5=C4C=CC(C)(C)O5)C3=O","spectrum_id":"CCMSLIB00005722870","spectrum_index":7478},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385815-01!(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848309]","exact_mass":368.163,"inchikey":"DKYFESWWIPJYTA-DVQDXYAYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":759.3142,"smiles":"COC1=CC(OC)=C2C(=O)C[C@H](OC2=C1\\\\C=C\\\\C(C)(C)O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722872","spectrum_index":7479},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385815-01!(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848309]","exact_mass":368.163,"inchikey":"DKYFESWWIPJYTA-DVQDXYAYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.17,"smiles":"COC1=CC(OC)=C2C(=O)C[C@H](OC2=C1\\\\C=C\\\\C(C)(C)O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722873","spectrum_index":7480},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385815-01!(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":368.163,"inchikey":"DKYFESWWIPJYTA-DVQDXYAYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.1595,"smiles":"COC1=CC(OC)=C2C(=O)C[C@H](OC2=C1\\\\C=C\\\\C(C)(C)O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722874","spectrum_index":7481},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385815-01!(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848309]","exact_mass":368.163,"inchikey":"DKYFESWWIPJYTA-DVQDXYAYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.152,"smiles":"COC1=CC(OC)=C2C(=O)C[C@H](OC2=C1\\\\C=C\\\\C(C)(C)O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722875","spectrum_index":7482},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00022001-15!(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based: Match]","exact_mass":414.131,"inchikey":"YJGVMLPVUAXIQN-XVVDYKMHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.1652,"smiles":"COC1=CC(=CC(OC)=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)C4=CC5=C(OCO5)C=C24","spectrum_id":"CCMSLIB00005722876","spectrum_index":7483},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00022001-15!(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000845603]","exact_mass":414.131,"inchikey":"YJGVMLPVUAXIQN-XVVDYKMHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":851.2521,"smiles":"COC1=CC(=CC(OC)=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)C4=CC5=C(OCO5)C=C24","spectrum_id":"CCMSLIB00005722877","spectrum_index":7484},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00022001-15!(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000845603]","exact_mass":414.131,"inchikey":"YJGVMLPVUAXIQN-XVVDYKMHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.1281,"smiles":"COC1=CC(=CC(OC)=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)C4=CC5=C(OCO5)C=C24","spectrum_id":"CCMSLIB00005722878","spectrum_index":7485},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00022001-15!(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000845603]","exact_mass":414.131,"inchikey":"YJGVMLPVUAXIQN-XVVDYKMHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.1203,"smiles":"COC1=CC(=CC(OC)=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)C4=CC5=C(OCO5)C=C24","spectrum_id":"CCMSLIB00005722879","spectrum_index":7486},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00022001-15!(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000845603]","exact_mass":414.131,"inchikey":"YJGVMLPVUAXIQN-XVVDYKMHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.1389,"smiles":"COC1=CC(=CC(OC)=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)C4=CC5=C(OCO5)C=C24","spectrum_id":"CCMSLIB00005722880","spectrum_index":7487},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180841-02!(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000846131]","exact_mass":248.105,"inchikey":"VJCNEDVMYQCMBK-SMDDNHRTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.0681,"smiles":"COC1=CC(=O)O[C@@H](CCC2=CC=CC=C2)[C@H]1O","spectrum_id":"CCMSLIB00005722881","spectrum_index":7488},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180841-02!(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000846131]","exact_mass":248.105,"inchikey":"VJCNEDVMYQCMBK-SMDDNHRTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":213.0909,"smiles":"COC1=CC(=O)O[C@@H](CCC2=CC=CC=C2)[C@H]1O","spectrum_id":"CCMSLIB00005722882","spectrum_index":7489},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180841-02!(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000846131]","exact_mass":248.105,"inchikey":"VJCNEDVMYQCMBK-SMDDNHRTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.0942,"smiles":"COC1=CC(=O)O[C@@H](CCC2=CC=CC=C2)[C@H]1O","spectrum_id":"CCMSLIB00005722883","spectrum_index":7490},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180841-02!(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000846131]","exact_mass":248.105,"inchikey":"VJCNEDVMYQCMBK-SMDDNHRTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.1019,"smiles":"COC1=CC(=O)O[C@@H](CCC2=CC=CC=C2)[C@H]1O","spectrum_id":"CCMSLIB00005722884","spectrum_index":7491},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180841-02!(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one [IIN-based: Match]","exact_mass":248.105,"inchikey":"VJCNEDVMYQCMBK-SMDDNHRTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.1121,"smiles":"COC1=CC(=O)O[C@@H](CCC2=CC=CC=C2)[C@H]1O","spectrum_id":"CCMSLIB00005722885","spectrum_index":7492},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347563-02![1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based: Match]","exact_mass":376.152,"inchikey":"GFMYIOGFYYHKLA-IZZDOVSWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.1596,"smiles":"COC1=CC2=C(C=CC(=O)O2)C=C1C(O)C(OC(=O)C(\\\\C)=C\\\\C)C(C)(C)O","spectrum_id":"CCMSLIB00005722886","spectrum_index":7493},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347563-02![1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847459]","exact_mass":376.152,"inchikey":"GFMYIOGFYYHKLA-IZZDOVSWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":775.2932,"smiles":"COC1=CC2=C(C=CC(=O)O2)C=C1C(O)C(OC(=O)C(\\\\C)=C\\\\C)C(C)(C)O","spectrum_id":"CCMSLIB00005722887","spectrum_index":7494},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180139-02!3-(6-methoxy-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-f]chromen-4-one [IIN-based on: CCMSLIB00000846141]","exact_mass":378.11,"inchikey":"WITLAWYGGVAFLU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":779.2097,"smiles":"COC1=C(C=C2OCOC2=C1)C3=COC4=C(C=CC5=C4C=CC(C)(C)O5)C3=O","spectrum_id":"CCMSLIB00005722889","spectrum_index":7495},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180139-02!3-(6-methoxy-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-f]chromen-4-one [IIN-based on: CCMSLIB00000846141]","exact_mass":378.11,"inchikey":"WITLAWYGGVAFLU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.0997,"smiles":"COC1=C(C=C2OCOC2=C1)C3=COC4=C(C=CC5=C4C=CC(C)(C)O5)C3=O","spectrum_id":"CCMSLIB00005722890","spectrum_index":7496},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180139-02!3-(6-methoxy-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-f]chromen-4-one [IIN-based: Match]","exact_mass":378.11,"inchikey":"WITLAWYGGVAFLU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.1178,"smiles":"COC1=C(C=C2OCOC2=C1)C3=COC4=C(C=CC5=C4C=CC(C)(C)O5)C3=O","spectrum_id":"CCMSLIB00005722891","spectrum_index":7497},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347386-02!1-methyl-2-undecylquinolin-4-one [IIN-based on: CCMSLIB00000847478]","exact_mass":313.241,"inchikey":"ZLIHBZFNMQLPOT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":649.4702,"smiles":"CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C","spectrum_id":"CCMSLIB00005722893","spectrum_index":7498},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347386-02!1-methyl-2-undecylquinolin-4-one [IIN-based: Match]","exact_mass":313.241,"inchikey":"ZLIHBZFNMQLPOT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.248,"smiles":"CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C","spectrum_id":"CCMSLIB00005722894","spectrum_index":7499},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347386-02!1-methyl-2-undecylquinolin-4-one [IIN-based on: CCMSLIB00000847478]","exact_mass":313.241,"inchikey":"ZLIHBZFNMQLPOT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":627.4882,"smiles":"CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C","spectrum_id":"CCMSLIB00005722895","spectrum_index":7500},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347601-02!2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl acetate [IIN-based on: CCMSLIB00000848402]","exact_mass":356.163,"inchikey":"AWMHMGFGCLBSAY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":735.3138,"smiles":"CC(=O)OC(C)(C)C1CC2=CC3=C(OC(=O)C(=C3)C(C)(C)C=C)C=C2O1","spectrum_id":"CCMSLIB00005722896","spectrum_index":7501},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347601-02!2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl acetate [IIN-based on: CCMSLIB00000848402]","exact_mass":356.163,"inchikey":"AWMHMGFGCLBSAY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.1259,"smiles":"CC(=O)OC(C)(C)C1CC2=CC3=C(OC(=O)C(=C3)C(C)(C)C=C)C=C2O1","spectrum_id":"CCMSLIB00005722897","spectrum_index":7502},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347601-02!2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl acetate [IIN-based: Match]","exact_mass":356.163,"inchikey":"AWMHMGFGCLBSAY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.17,"smiles":"CC(=O)OC(C)(C)C1CC2=CC3=C(OC(=O)C(=C3)C(C)(C)C=C)C=C2O1","spectrum_id":"CCMSLIB00005722898","spectrum_index":7503},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385997-01!5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000847476]","exact_mass":288.1,"inchikey":"QZUNAFWZEXJWGD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":599.1884,"smiles":"COC1=C2OC(=O)C=CC2=C(OC)C3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00005722899","spectrum_index":7504},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385997-01!5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based: Match]","exact_mass":288.1,"inchikey":"QZUNAFWZEXJWGD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.1068,"smiles":"COC1=C2OC(=O)C=CC2=C(OC)C3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00005722900","spectrum_index":7505},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169348-03!(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione [IIN-based: Match]","exact_mass":302.174,"inchikey":"RSGRSUVVCYUKLM-XFFZJAGNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.1815,"smiles":"CC(C)C1NC(=O)\\\\C(NC1=O)=C\\\\C2=C(NC=N2)C(C)(C)C=C","spectrum_id":"CCMSLIB00005722901","spectrum_index":7506},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169348-03!(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione [IIN-based on: CCMSLIB00000848599]","exact_mass":302.174,"inchikey":"RSGRSUVVCYUKLM-XFFZJAGNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":627.337,"smiles":"CC(C)C1NC(=O)\\\\C(NC1=O)=C\\\\C2=C(NC=N2)C(C)(C)C=C","spectrum_id":"CCMSLIB00005722902","spectrum_index":7507},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385098-01![8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate [IIN-based: Match]","exact_mass":426.168,"inchikey":"UHWIZIJICYWABA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.2019,"smiles":"CC(C)=CC(=O)OC1C(OC(=O)C=C(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722903","spectrum_index":7508},{"adduct":"[2M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385098-01![8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate [IIN-based on: CCMSLIB00000846416]","exact_mass":426.168,"inchikey":"UHWIZIJICYWABA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":891.298,"smiles":"CC(C)=CC(=O)OC1C(OC(=O)C=C(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722904","spectrum_index":7509},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385098-01![8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate [IIN-based on: CCMSLIB00000846416]","exact_mass":426.168,"inchikey":"UHWIZIJICYWABA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.1573,"smiles":"CC(C)=CC(=O)OC1C(OC(=O)C=C(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722905","spectrum_index":7510},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385098-01![8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate [IIN-based on: CCMSLIB00000846416]","exact_mass":426.168,"inchikey":"UHWIZIJICYWABA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":875.3244,"smiles":"CC(C)=CC(=O)OC1C(OC(=O)C=C(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722906","spectrum_index":7511},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385098-01![8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate [IIN-based on: CCMSLIB00000846416]","exact_mass":426.168,"inchikey":"UHWIZIJICYWABA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":870.3682,"smiles":"CC(C)=CC(=O)OC1C(OC(=O)C=C(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12","spectrum_id":"CCMSLIB00005722907","spectrum_index":7512},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168829-02!7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based on: CCMSLIB00000848851]","exact_mass":314.152,"inchikey":"VNADFOGBKXRWGC-RIYZIHGNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":651.2926,"smiles":"CC(C)=CC(O)C\\\\C(C)=C\\\\COC1=CC2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005722908","spectrum_index":7513},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168829-02!7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based: Match]","exact_mass":314.152,"inchikey":"VNADFOGBKXRWGC-RIYZIHGNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.1486,"smiles":"CC(C)=CC(O)C\\\\C(C)=C\\\\COC1=CC2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005722909","spectrum_index":7514},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168829-02!7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based on: CCMSLIB00000848851]","exact_mass":314.152,"inchikey":"VNADFOGBKXRWGC-RIYZIHGNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.1411,"smiles":"CC(C)=CC(O)C\\\\C(C)=C\\\\COC1=CC2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005722910","spectrum_index":7515},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169439-02!8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one [IIN-based: Match]","exact_mass":278.116,"inchikey":"KGGUASRIGLRPAX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.1121,"smiles":"COC1=C(CC(O)C(C)(C)O)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005722913","spectrum_index":7516},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00096070-07!7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based: Match]","exact_mass":298.157,"inchikey":"RSDDHGSKLOSQFK-RVDMUPIBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.1641,"smiles":"CC(C)=CCC\\\\C(C)=C\\\\COC1=CC2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005722914","spectrum_index":7517},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00096070-07!7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based on: CCMSLIB00000849019]","exact_mass":298.157,"inchikey":"RSDDHGSKLOSQFK-RVDMUPIBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":619.3032,"smiles":"CC(C)=CCC\\\\C(C)=C\\\\COC1=CC2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005722915","spectrum_index":7518},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385100-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-2-methyl-4-oxochromen-7-yl)oxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate [IIN-based: Match]","exact_mass":520.195,"inchikey":"OUBDJJFZUQGQLU-ZHFYLPRNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.2023,"smiles":"CC1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](COC(=O)C4=CC[C@@H](CC4)C(C)(C)O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1","spectrum_id":"CCMSLIB00005722917","spectrum_index":7519},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385100-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-2-methyl-4-oxochromen-7-yl)oxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate [IIN-based on: CCMSLIB00000849026]","exact_mass":520.195,"inchikey":"OUBDJJFZUQGQLU-ZHFYLPRNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.1915,"smiles":"CC1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](COC(=O)C4=CC[C@@H](CC4)C(C)(C)O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1","spectrum_id":"CCMSLIB00005722918","spectrum_index":7520},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385100-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-2-methyl-4-oxochromen-7-yl)oxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate [IIN-based on: CCMSLIB00000849026]","exact_mass":520.195,"inchikey":"OUBDJJFZUQGQLU-ZHFYLPRNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":543.1839,"smiles":"CC1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](COC(=O)C4=CC[C@@H](CC4)C(C)(C)O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1","spectrum_id":"CCMSLIB00005722919","spectrum_index":7521},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385993-01!6-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one [IIN-based: Match]","exact_mass":328.168,"inchikey":"BEFLWKHENQGMGF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.175,"smiles":"COC1=C(CC2OC2(C)C)C=C3C=C(C(=O)OC3=C1)C(C)(C)C=C","spectrum_id":"CCMSLIB00005722920","spectrum_index":7522},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180102-02!(E)-N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-13-methyltetradec-2-enamide [IIN-based on: CCMSLIB00000849073]","exact_mass":830.416,"inchikey":"MEYZYGMYMLNUHJ-WYMLVPIESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":853.4047,"smiles":"CC(C)CCCCCCCCC\\\\C=C\\\\C(=O)NC1C(OC2OC(CO)C(O)C(O)C2NC(C)=O)OC(CC(O)C3OC(C(O)C3O)N4C=CC(=O)NC4=O)C(O)C1O","spectrum_id":"CCMSLIB00005722921","spectrum_index":7523},{"adduct":"[M+Ca-H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180102-02!(E)-N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-13-methyltetradec-2-enamide [IIN-based on: CCMSLIB00000849073]","exact_mass":830.416,"inchikey":"MEYZYGMYMLNUHJ-WYMLVPIESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":869.3703,"smiles":"CC(C)CCCCCCCCC\\\\C=C\\\\C(=O)NC1C(OC2OC(CO)C(O)C(O)C2NC(C)=O)OC(CC(O)C3OC(C(O)C3O)N4C=CC(=O)NC4=O)C(O)C1O","spectrum_id":"CCMSLIB00005722922","spectrum_index":7524},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180102-02!(E)-N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-13-methyltetradec-2-enamide [IIN-based: Match]","exact_mass":830.416,"inchikey":"MEYZYGMYMLNUHJ-WYMLVPIESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":831.4233,"smiles":"CC(C)CCCCCCCCC\\\\C=C\\\\C(=O)NC1C(OC2OC(CO)C(O)C(O)C2NC(C)=O)OC(CC(O)C3OC(C(O)C3O)N4C=CC(=O)NC4=O)C(O)C1O","spectrum_id":"CCMSLIB00005722923","spectrum_index":7525},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00180102-02!(E)-N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-13-methyltetradec-2-enamide [IIN-based on: CCMSLIB00000849073]","exact_mass":830.416,"inchikey":"MEYZYGMYMLNUHJ-WYMLVPIESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.1887,"smiles":"CC(C)CCCCCCCCC\\\\C=C\\\\C(=O)NC1C(OC2OC(CO)C(O)C(O)C2NC(C)=O)OC(CC(O)C3OC(C(O)C3O)N4C=CC(=O)NC4=O)C(O)C1O","spectrum_id":"CCMSLIB00005722924","spectrum_index":7526},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00384980-01!5-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid [IIN-based on: CCMSLIB00000849069]","exact_mass":494.273,"inchikey":"VQFBAKAPQDNJNU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.1174,"smiles":"CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(O)=O)C(C)CC)OC1OC(CO)C(O)C1O","spectrum_id":"CCMSLIB00005722925","spectrum_index":7527},{"adduct":"[M+Ca-H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384980-01!5-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid [IIN-based on: CCMSLIB00000849069]","exact_mass":494.273,"inchikey":"VQFBAKAPQDNJNU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":533.2275,"smiles":"CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(O)=O)C(C)CC)OC1OC(CO)C(O)C1O","spectrum_id":"CCMSLIB00005722926","spectrum_index":7528},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384980-01!5-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid [IIN-based on: CCMSLIB00000849069]","exact_mass":494.273,"inchikey":"VQFBAKAPQDNJNU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":517.2622,"smiles":"CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(O)=O)C(C)CC)OC1OC(CO)C(O)C1O","spectrum_id":"CCMSLIB00005722927","spectrum_index":7529},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384980-01!5-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid [IIN-based: Match]","exact_mass":494.273,"inchikey":"VQFBAKAPQDNJNU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":477.2698,"smiles":"CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(O)=O)C(C)CC)OC1OC(CO)C(O)C1O","spectrum_id":"CCMSLIB00005722928","spectrum_index":7530},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00384980-01!5-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid [IIN-based on: CCMSLIB00000849069]","exact_mass":494.273,"inchikey":"VQFBAKAPQDNJNU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":514.2537,"smiles":"CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(O)=O)C(C)CC)OC1OC(CO)C(O)C1O","spectrum_id":"CCMSLIB00005722929","spectrum_index":7531},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385164-01!5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000849030]","exact_mass":576.184,"inchikey":"NXVJTGLCCSFGAT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":615.1473,"smiles":"COC1=CC(=CC(OC)=C1OC)C2C3C(COC3=O)C(OC4OC(CO)C(O)C(O)C4O)C5=CC6=C(OCO6)C=C25","spectrum_id":"CCMSLIB00005722930","spectrum_index":7532},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00385164-01!5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000849030]","exact_mass":576.184,"inchikey":"NXVJTGLCCSFGAT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.073,"smiles":"COC1=CC(=CC(OC)=C1OC)C2C3C(COC3=O)C(OC4OC(CO)C(O)C(O)C4O)C5=CC6=C(OCO6)C=C25","spectrum_id":"CCMSLIB00005722931","spectrum_index":7533},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385164-01!5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000849030]","exact_mass":576.184,"inchikey":"NXVJTGLCCSFGAT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":599.1737,"smiles":"COC1=CC(=CC(OC)=C1OC)C2C3C(COC3=O)C(OC4OC(CO)C(O)C(O)C4O)C5=CC6=C(OCO6)C=C25","spectrum_id":"CCMSLIB00005722932","spectrum_index":7534},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385164-01!5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one [IIN-based: Match]","exact_mass":576.184,"inchikey":"NXVJTGLCCSFGAT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":594.2183,"smiles":"COC1=CC(=CC(OC)=C1OC)C2C3C(COC3=O)C(OC4OC(CO)C(O)C(O)C4O)C5=CC6=C(OCO6)C=C25","spectrum_id":"CCMSLIB00005722933","spectrum_index":7535},{"adduct":"[2M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180733-02!(E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnon-8-en-1-one [IIN-based on: CCMSLIB00000848139]","exact_mass":343.215,"inchikey":"FAXXHNWVMKTOFF-UXBLZVDNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":687.4369,"smiles":"O=C(CCCCCC\\\\C=C\\\\C1=CC2=C(OCO2)C=C1)N3CCCCC3","spectrum_id":"CCMSLIB00005722934","spectrum_index":7536},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180733-02!(E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnon-8-en-1-one [IIN-based: Match]","exact_mass":343.215,"inchikey":"FAXXHNWVMKTOFF-UXBLZVDNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.2225,"smiles":"O=C(CCCCCC\\\\C=C\\\\C1=CC2=C(OCO2)C=C1)N3CCCCC3","spectrum_id":"CCMSLIB00005722935","spectrum_index":7537},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180733-02!(E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnon-8-en-1-one [IIN-based on: CCMSLIB00000848139]","exact_mass":343.215,"inchikey":"FAXXHNWVMKTOFF-UXBLZVDNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":709.4188,"smiles":"O=C(CCCCCC\\\\C=C\\\\C1=CC2=C(OCO2)C=C1)N3CCCCC3","spectrum_id":"CCMSLIB00005722936","spectrum_index":7538},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179781-03![8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848207]","exact_mass":430.199,"inchikey":"KPLBOWKEQXYXSD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":883.3877,"smiles":"CC(C)CC(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)CC(C)C","spectrum_id":"CCMSLIB00005722938","spectrum_index":7539},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179781-03![8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848207]","exact_mass":430.199,"inchikey":"KPLBOWKEQXYXSD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.1896,"smiles":"CC(C)CC(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)CC(C)C","spectrum_id":"CCMSLIB00005722939","spectrum_index":7540},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179781-03![8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate [IIN-based: Match]","exact_mass":430.199,"inchikey":"KPLBOWKEQXYXSD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":448.2333,"smiles":"CC(C)CC(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)CC(C)C","spectrum_id":"CCMSLIB00005722940","spectrum_index":7541},{"adduct":"[2M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179781-03![8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848207]","exact_mass":430.199,"inchikey":"KPLBOWKEQXYXSD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":899.361,"smiles":"CC(C)CC(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)CC(C)C","spectrum_id":"CCMSLIB00005722942","spectrum_index":7542},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385035-01![8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000845540]","exact_mass":426.168,"inchikey":"XAQHSTCVGOTLHK-AUWJEWJLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.1311,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1C(OC2=CC=C3C=CC(=O)OC3=C12)C(C)(C)OC(=O)C=C(C)C","spectrum_id":"CCMSLIB00005722943","spectrum_index":7543},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385035-01![8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate [IIN-based: Match]","exact_mass":426.168,"inchikey":"XAQHSTCVGOTLHK-AUWJEWJLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":449.1572,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1C(OC2=CC=C3C=CC(=O)OC3=C12)C(C)(C)OC(=O)C=C(C)C","spectrum_id":"CCMSLIB00005722944","spectrum_index":7544},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385035-01![8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000845540]","exact_mass":426.168,"inchikey":"XAQHSTCVGOTLHK-AUWJEWJLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":875.3247,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1C(OC2=CC=C3C=CC(=O)OC3=C12)C(C)(C)OC(=O)C=C(C)C","spectrum_id":"CCMSLIB00005722945","spectrum_index":7545},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385035-01![8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000845540]","exact_mass":426.168,"inchikey":"XAQHSTCVGOTLHK-AUWJEWJLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":870.3686,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1C(OC2=CC=C3C=CC(=O)OC3=C12)C(C)(C)OC(=O)C=C(C)C","spectrum_id":"CCMSLIB00005722946","spectrum_index":7546},{"adduct":"[2M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385035-01![8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000845540]","exact_mass":426.168,"inchikey":"XAQHSTCVGOTLHK-AUWJEWJLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":891.2986,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1C(OC2=CC=C3C=CC(=O)OC3=C12)C(C)(C)OC(=O)C=C(C)C","spectrum_id":"CCMSLIB00005722948","spectrum_index":7547},{"adduct":"[2M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385035-01![8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000845537]","exact_mass":426.168,"inchikey":"XAQHSTCVGOTLHK-AUWJEWJLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":870.3691,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1C(OC2=CC=C3C=CC(=O)OC3=C12)C(C)(C)OC(=O)C=C(C)C","spectrum_id":"CCMSLIB00005722949","spectrum_index":7548},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385035-01![8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate [IIN-based: Match]","exact_mass":426.168,"inchikey":"XAQHSTCVGOTLHK-AUWJEWJLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.2021,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1C(OC2=CC=C3C=CC(=O)OC3=C12)C(C)(C)OC(=O)C=C(C)C","spectrum_id":"CCMSLIB00005722950","spectrum_index":7549},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385035-01![8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000845537]","exact_mass":426.168,"inchikey":"XAQHSTCVGOTLHK-AUWJEWJLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":875.3249,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1C(OC2=CC=C3C=CC(=O)OC3=C12)C(C)(C)OC(=O)C=C(C)C","spectrum_id":"CCMSLIB00005722951","spectrum_index":7550},{"adduct":"[2M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385035-01![8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000845537]","exact_mass":426.168,"inchikey":"XAQHSTCVGOTLHK-AUWJEWJLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":891.2986,"smiles":"C\\\\C=C(\\\\C)C(=O)OC1C(OC2=CC=C3C=CC(=O)OC3=C12)C(C)(C)OC(=O)C=C(C)C","spectrum_id":"CCMSLIB00005722952","spectrum_index":7551},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180304-03!(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one [IIN-based: Match]","exact_mass":354.147,"inchikey":"ORXQGKIUCDPEAJ-YRNVUSSQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.1545,"smiles":"COC1=C(C(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)C(O)=C(CC=C(C)C)C(O)=C1","spectrum_id":"CCMSLIB00005722953","spectrum_index":7552},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385172-01!7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one [IIN-based on: CCMSLIB00000848780]","exact_mass":258.089,"inchikey":"YTDNHMHONBWCBV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":539.1669,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C3OC3C(C)=C","spectrum_id":"CCMSLIB00005722955","spectrum_index":7553},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385172-01!7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one [IIN-based on: CCMSLIB00000848780]","exact_mass":258.089,"inchikey":"YTDNHMHONBWCBV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.0527,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C3OC3C(C)=C","spectrum_id":"CCMSLIB00005722956","spectrum_index":7554},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385172-01!7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one [IIN-based: Match]","exact_mass":258.089,"inchikey":"YTDNHMHONBWCBV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.0969,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C3OC3C(C)=C","spectrum_id":"CCMSLIB00005722957","spectrum_index":7555},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385172-01!7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one [IIN-based on: CCMSLIB00000848780]","exact_mass":258.089,"inchikey":"YTDNHMHONBWCBV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.1233,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1C3OC3C(C)=C","spectrum_id":"CCMSLIB00005722958","spectrum_index":7556},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385210-01!8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one [IIN-based: Match]","exact_mass":260.105,"inchikey":"SQSRYWNOKPJENY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":243.1019,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1CC(O)C(C)=C","spectrum_id":"CCMSLIB00005722959","spectrum_index":7557},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385210-01!8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one [IIN-based on: CCMSLIB00000847740]","exact_mass":260.105,"inchikey":"SQSRYWNOKPJENY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.1121,"smiles":"COC1=CC=C2C=CC(=O)OC2=C1CC(O)C(C)=C","spectrum_id":"CCMSLIB00005722961","spectrum_index":7558},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385003-01!4-[3-methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid [IIN-based: Match]","exact_mass":442.293,"inchikey":"DQOOFQPFNNGTHL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.29,"smiles":"CC(CCOC(=O)CCC(O)=O)CCC1(C)C(C)CCC2(C)C1CC(O)C(O)C2(C)O","spectrum_id":"CCMSLIB00005722962","spectrum_index":7559},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385003-01!4-[3-methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid [IIN-based on: CCMSLIB00000848208]","exact_mass":442.293,"inchikey":"DQOOFQPFNNGTHL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.2793,"smiles":"CC(CCOC(=O)CCC(O)=O)CCC1(C)C(C)CCC2(C)C1CC(O)C(O)C2(C)O","spectrum_id":"CCMSLIB00005722963","spectrum_index":7560},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385003-01!4-[3-methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid [IIN-based on: CCMSLIB00000848208]","exact_mass":442.293,"inchikey":"DQOOFQPFNNGTHL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":465.2827,"smiles":"CC(CCOC(=O)CCC(O)=O)CCC1(C)C(C)CCC2(C)C1CC(O)C(O)C2(C)O","spectrum_id":"CCMSLIB00005722964","spectrum_index":7561},{"adduct":"[M-3H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385003-01!4-[3-methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid [IIN-based on: CCMSLIB00000848208]","exact_mass":442.293,"inchikey":"DQOOFQPFNNGTHL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.2688,"smiles":"CC(CCOC(=O)CCC(O)=O)CCC1(C)C(C)CCC2(C)C1CC(O)C(O)C2(C)O","spectrum_id":"CCMSLIB00005722966","spectrum_index":7562},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347371-02!methyl (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate [IIN-based on: CCMSLIB00000848789]","exact_mass":564.185,"inchikey":"QBKMGAJNGCTGFA-NVNVVJOKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":603.1476,"smiles":"COC(=O)C[C@H]1\\\\C(=C\\\\COC(=O)\\\\C=C\\\\C2=CC=CC=C2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(=O)OC","spectrum_id":"CCMSLIB00005722967","spectrum_index":7563},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00347371-02!methyl (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate [IIN-based on: CCMSLIB00000848789]","exact_mass":564.185,"inchikey":"QBKMGAJNGCTGFA-NVNVVJOKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.0729,"smiles":"COC(=O)C[C@H]1\\\\C(=C\\\\COC(=O)\\\\C=C\\\\C2=CC=CC=C2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(=O)OC","spectrum_id":"CCMSLIB00005722968","spectrum_index":7564},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347371-02!methyl (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate [IIN-based: Match]","exact_mass":564.185,"inchikey":"QBKMGAJNGCTGFA-NVNVVJOKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":582.2183,"smiles":"COC(=O)C[C@H]1\\\\C(=C\\\\COC(=O)\\\\C=C\\\\C2=CC=CC=C2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(=O)OC","spectrum_id":"CCMSLIB00005722969","spectrum_index":7565},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385001-01!5-[3-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxypentyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid [IIN-based: Match]","exact_mass":500.278,"inchikey":"UVGRPMWFXIDHJC-CSKARUKUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":483.2746,"smiles":"CC1CCC2(C)C(CCC=C2C(O)=O)C1(C)CCC(CCO)COC(=O)\\\\C=C\\\\C3=CC(O)=C(O)C=C3","spectrum_id":"CCMSLIB00005722970","spectrum_index":7566},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380344-01!(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide [IIN-based on: CCMSLIB00000846683]","exact_mass":315.22,"inchikey":"VVRNYAJXAUQHEN-BNFZFUHLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":653.4287,"smiles":"CCCCCCC\\\\C=C\\\\C=C\\\\C(=O)NCCC1=CC=C(O)C=C1","spectrum_id":"CCMSLIB00005722971","spectrum_index":7567},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380344-01!(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide [IIN-based: Match]","exact_mass":315.22,"inchikey":"VVRNYAJXAUQHEN-BNFZFUHLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.2273,"smiles":"CCCCCCC\\\\C=C\\\\C=C\\\\C(=O)NCCC1=CC=C(O)C=C1","spectrum_id":"CCMSLIB00005722972","spectrum_index":7568},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380363-01!8-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based: Match]","exact_mass":386.173,"inchikey":"SDEUJZQQWGXEEM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.1805,"smiles":"COC1=CC(OC)=C2C(=O)CC(OC2=C1CC(O)C(C)(C)O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722973","spectrum_index":7569},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380363-01!8-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848735]","exact_mass":386.173,"inchikey":"SDEUJZQQWGXEEM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.3346,"smiles":"COC1=CC(OC)=C2C(=O)CC(OC2=C1CC(O)C(C)(C)O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722975","spectrum_index":7570},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380363-01!8-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848735]","exact_mass":386.173,"inchikey":"SDEUJZQQWGXEEM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.1623,"smiles":"COC1=CC(OC)=C2C(=O)CC(OC2=C1CC(O)C(C)(C)O)C3=CC=CC=C3","spectrum_id":"CCMSLIB00005722976","spectrum_index":7571},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347633-02!7-benzyl-11,14,20-trimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone [IIN-based: Match]","exact_mass":669.41,"inchikey":"UCLZXGHPVJMYSQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":670.4178,"smiles":"CC(C)CC1OC(=O)C2C(C)CCN2C(=O)CCNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00005722977","spectrum_index":7572},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347633-02!7-benzyl-11,14,20-trimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone [IIN-based on: CCMSLIB00000848764]","exact_mass":669.41,"inchikey":"UCLZXGHPVJMYSQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":708.3729,"smiles":"CC(C)CC1OC(=O)C2C(C)CCN2C(=O)CCNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00005722978","spectrum_index":7573},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00347633-02!7-benzyl-11,14,20-trimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone [IIN-based on: CCMSLIB00000848764]","exact_mass":669.41,"inchikey":"UCLZXGHPVJMYSQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":354.6859,"smiles":"CC(C)CC1OC(=O)C2C(C)CCN2C(=O)CCNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00005722979","spectrum_index":7574},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347633-02!7-benzyl-11,14,20-trimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone [IIN-based on: CCMSLIB00000848764]","exact_mass":669.41,"inchikey":"UCLZXGHPVJMYSQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":692.3997,"smiles":"CC(C)CC1OC(=O)C2C(C)CCN2C(=O)CCNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O","spectrum_id":"CCMSLIB00005722980","spectrum_index":7575},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380370-01!(Z)-1,4-bis(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbut-2-ene-1,4-dione [IIN-based: Match]","exact_mass":356.126,"inchikey":"ZTNYRNGTBAGYIZ-QXMHVHEDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.1332,"smiles":"COC1=CC(=CC=C1O)C(=O)C(\\\\C)=C(\\\\C)C(=O)C2=CC(OC)=C(O)C=C2","spectrum_id":"CCMSLIB00005722981","spectrum_index":7576},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380370-01!(Z)-1,4-bis(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbut-2-ene-1,4-dione [IIN-based on: CCMSLIB00000848412]","exact_mass":356.126,"inchikey":"ZTNYRNGTBAGYIZ-QXMHVHEDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":735.2408,"smiles":"COC1=CC(=CC=C1O)C(=O)C(\\\\C)=C(\\\\C)C(=O)C2=CC(OC)=C(O)C=C2","spectrum_id":"CCMSLIB00005722982","spectrum_index":7577},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380262-01!2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene [IIN-based on: CCMSLIB00000847052]","exact_mass":300.137,"inchikey":"IQOUQPBWTJSPDL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":623.2619,"smiles":"COC1=CC2=C(C(OC)=C1)C3=CC(OC)=C(OC)C=C3CC2","spectrum_id":"CCMSLIB00005722983","spectrum_index":7578},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380262-01!2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene [IIN-based: Match]","exact_mass":300.137,"inchikey":"IQOUQPBWTJSPDL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.1438,"smiles":"COC1=CC2=C(C(OC)=C1)C3=CC(OC)=C(OC)C=C3CC2","spectrum_id":"CCMSLIB00005722984","spectrum_index":7579},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380262-01!2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene [IIN-based on: CCMSLIB00000847052]","exact_mass":300.137,"inchikey":"IQOUQPBWTJSPDL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.1258,"smiles":"COC1=CC2=C(C(OC)=C1)C3=CC(OC)=C(OC)C=C3CC2","spectrum_id":"CCMSLIB00005722985","spectrum_index":7580},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380345-01!(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one [IIN-based: Match]","exact_mass":282.183,"inchikey":"INHVGPIPHZJQOP-ZNMIVQPWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.1905,"smiles":"CCCCCC[C@H](O)[C@@H]1CCC2=C(O1)[C@H](O)CCC2=O","spectrum_id":"CCMSLIB00005722986","spectrum_index":7581},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380345-01!(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one [IIN-based on: CCMSLIB00000846680]","exact_mass":282.183,"inchikey":"INHVGPIPHZJQOP-ZNMIVQPWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.1689,"smiles":"CCCCCC[C@H](O)[C@@H]1CCC2=C(O1)[C@H](O)CCC2=O","spectrum_id":"CCMSLIB00005722987","spectrum_index":7582},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380345-01!(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one [IIN-based on: CCMSLIB00000846680]","exact_mass":282.183,"inchikey":"INHVGPIPHZJQOP-ZNMIVQPWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.1796,"smiles":"CCCCCC[C@H](O)[C@@H]1CCC2=C(O1)[C@H](O)CCC2=O","spectrum_id":"CCMSLIB00005722988","spectrum_index":7583},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380345-01!(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one [IIN-based on: CCMSLIB00000846680]","exact_mass":282.183,"inchikey":"INHVGPIPHZJQOP-ZNMIVQPWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.1723,"smiles":"CCCCCC[C@H](O)[C@@H]1CCC2=C(O1)[C@H](O)CCC2=O","spectrum_id":"CCMSLIB00005722989","spectrum_index":7584},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380330-01!2-(6-methyl-7-oxooctyl)-2H-furan-5-one [IIN-based: Match]","exact_mass":224.142,"inchikey":"MSOHKYKACHEERC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":225.1488,"smiles":"CC(CCCCCC1OC(=O)C=C1)C(C)=O","spectrum_id":"CCMSLIB00005722990","spectrum_index":7585},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380330-01!2-(6-methyl-7-oxooctyl)-2H-furan-5-one [IIN-based on: CCMSLIB00000848756]","exact_mass":224.142,"inchikey":"MSOHKYKACHEERC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.1309,"smiles":"CC(CCCCCC1OC(=O)C=C1)C(C)=O","spectrum_id":"CCMSLIB00005722991","spectrum_index":7586},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380341-01!methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846691]","exact_mass":452.147,"inchikey":"DHAXSUMTBBBFBJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.1541,"smiles":"COC(=O)C3(CC1=CC=C2OC(C)(C)C=CC2=C1)OC(=O)C(OC)=C3C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00005722993","spectrum_index":7587},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380341-01!methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846691]","exact_mass":452.147,"inchikey":"DHAXSUMTBBBFBJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.1367,"smiles":"COC(=O)C3(CC1=CC=C2OC(C)(C)C=CC2=C1)OC(=O)C(OC)=C3C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00005722994","spectrum_index":7588},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380341-01!methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based: Match]","exact_mass":452.147,"inchikey":"DHAXSUMTBBBFBJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":470.1812,"smiles":"COC(=O)C3(CC1=CC=C2OC(C)(C)C=CC2=C1)OC(=O)C(OC)=C3C4=CC(O)=C(O)C=C4","spectrum_id":"CCMSLIB00005722995","spectrum_index":7589},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169585-02!(2S,3S,4S)-3,4-dihydroxy-6-methoxy-3-methyl-7-methylidene-2-pentyl-2,4-dihydropyrano[2,3-c]pyrrol-5-one [IIN-based on: CCMSLIB00000847050]","exact_mass":297.158,"inchikey":"PQXBZFLVJGBOAD-VZJVUDMVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":617.3048,"smiles":"CCCCC[C@@H]1OC2=C([C@H](O)[C@]1(C)O)C(=O)N(OC)C2=C","spectrum_id":"CCMSLIB00005722996","spectrum_index":7590},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169585-02!(2S,3S,4S)-3,4-dihydroxy-6-methoxy-3-methyl-7-methylidene-2-pentyl-2,4-dihydropyrano[2,3-c]pyrrol-5-one [IIN-based: Match]","exact_mass":297.158,"inchikey":"PQXBZFLVJGBOAD-VZJVUDMVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.165,"smiles":"CCCCC[C@@H]1OC2=C([C@H](O)[C@]1(C)O)C(=O)N(OC)C2=C","spectrum_id":"CCMSLIB00005722997","spectrum_index":7591},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169585-02!(2S,3S,4S)-3,4-dihydroxy-6-methoxy-3-methyl-7-methylidene-2-pentyl-2,4-dihydropyrano[2,3-c]pyrrol-5-one [IIN-based on: CCMSLIB00000847050]","exact_mass":297.158,"inchikey":"PQXBZFLVJGBOAD-VZJVUDMVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":280.1545,"smiles":"CCCCC[C@@H]1OC2=C([C@H](O)[C@]1(C)O)C(=O)N(OC)C2=C","spectrum_id":"CCMSLIB00005722998","spectrum_index":7592},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169585-02!(2S,3S,4S)-3,4-dihydroxy-6-methoxy-3-methyl-7-methylidene-2-pentyl-2,4-dihydropyrano[2,3-c]pyrrol-5-one [IIN-based on: CCMSLIB00000847050]","exact_mass":297.158,"inchikey":"PQXBZFLVJGBOAD-VZJVUDMVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.147,"smiles":"CCCCC[C@@H]1OC2=C([C@H](O)[C@]1(C)O)C(=O)N(OC)C2=C","spectrum_id":"CCMSLIB00005722999","spectrum_index":7593},{"adduct":"[M-2H2O+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169395-03![1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate [IIN-based on: CCMSLIB00000847733]","exact_mass":318.11,"inchikey":"VLHOVPZUSXEINR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.1229,"smiles":"COC1=C(C(OC(C)=O)C(=O)C(C)C)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005723000","spectrum_index":7594},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169395-03![1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate [IIN-based: Match]","exact_mass":318.11,"inchikey":"VLHOVPZUSXEINR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":336.1442,"smiles":"COC1=C(C(OC(C)=O)C(=O)C(C)C)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005723001","spectrum_index":7595},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169395-03![1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate [IIN-based on: CCMSLIB00000847733]","exact_mass":318.11,"inchikey":"VLHOVPZUSXEINR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":659.2095,"smiles":"COC1=C(C(OC(C)=O)C(=O)C(C)C)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005723002","spectrum_index":7596},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169395-03![1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate [IIN-based on: CCMSLIB00000847733]","exact_mass":318.11,"inchikey":"VLHOVPZUSXEINR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":319.1175,"smiles":"COC1=C(C(OC(C)=O)C(=O)C(C)C)C2=C(C=CC(=O)O2)C=C1","spectrum_id":"CCMSLIB00005723003","spectrum_index":7597},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380372-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide [IIN-based: Match]","exact_mass":253.132,"inchikey":"LFXMHSJWYXKODM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":254.1389,"smiles":"CCC(C)C(NC(C)=O)C1=CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005723004","spectrum_index":7598},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380372-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide [IIN-based on: CCMSLIB00000848409]","exact_mass":253.132,"inchikey":"LFXMHSJWYXKODM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":292.0947,"smiles":"CCC(C)C(NC(C)=O)C1=CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005723005","spectrum_index":7599},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380372-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide [IIN-based on: CCMSLIB00000848409]","exact_mass":253.132,"inchikey":"LFXMHSJWYXKODM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.1209,"smiles":"CCC(C)C(NC(C)=O)C1=CC(OC)=CC(=O)O1","spectrum_id":"CCMSLIB00005723006","spectrum_index":7600},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380252-01!methyl 2-(9,10a-dihydroxy-4a-methoxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate [IIN-based on: CCMSLIB00000848761]","exact_mass":364.116,"inchikey":"QYARGOCFMSDSQR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":751.2206,"smiles":"COC(=O)CC1CC2(OC)C(=O)C3=CC=CC(O)=C3C(=O)C2(O)C(C)O1","spectrum_id":"CCMSLIB00005723007","spectrum_index":7601},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380252-01!methyl 2-(9,10a-dihydroxy-4a-methoxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate [IIN-based: Match]","exact_mass":364.116,"inchikey":"QYARGOCFMSDSQR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.1234,"smiles":"COC(=O)CC1CC2(OC)C(=O)C3=CC=CC(O)=C3C(=O)C2(O)C(C)O1","spectrum_id":"CCMSLIB00005723008","spectrum_index":7602},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380342-01!methyl 3-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based: Match]","exact_mass":522.226,"inchikey":"BVSLLGGUGCRTFA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.2598,"smiles":"COC(=O)C2(CC1=CC=C(O)C(CC=C(C)C)=C1)OC(=O)C(OC)=C2C3=C(CC=C(C)C)C(O)=C(O)C=C3","spectrum_id":"CCMSLIB00005723010","spectrum_index":7603},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380342-01!methyl 3-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846693]","exact_mass":522.226,"inchikey":"BVSLLGGUGCRTFA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.215,"smiles":"COC(=O)C2(CC1=CC=C(O)C(CC=C(C)C)=C1)OC(=O)C(OC)=C2C3=C(CC=C(C)C)C(O)=C(O)C=C3","spectrum_id":"CCMSLIB00005723011","spectrum_index":7604},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380342-01!methyl 3-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846693]","exact_mass":522.226,"inchikey":"BVSLLGGUGCRTFA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":561.189,"smiles":"COC(=O)C2(CC1=CC=C(O)C(CC=C(C)C)=C1)OC(=O)C(OC)=C2C3=C(CC=C(C)C)C(O)=C(O)C=C3","spectrum_id":"CCMSLIB00005723012","spectrum_index":7605},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380342-01!methyl 3-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846693]","exact_mass":522.226,"inchikey":"BVSLLGGUGCRTFA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.2337,"smiles":"COC(=O)C2(CC1=CC=C(O)C(CC=C(C)C)=C1)OC(=O)C(OC)=C2C3=C(CC=C(C)C)C(O)=C(O)C=C3","spectrum_id":"CCMSLIB00005723013","spectrum_index":7606},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347672-02!N-[4,5-dihydroxy-2-[[4-[hydroxy(phenyl)methyl]-5-oxo-3-phenyl-2H-furan-2-yl]oxy]-6-(methoxymethyl)oxan-3-yl]acetamide [IIN-based on: CCMSLIB00000848988]","exact_mass":499.184,"inchikey":"UCFGUMMLHWLLKJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":538.1472,"smiles":"COCC1OC(OC2OC(=O)C(C(O)C3=CC=CC=C3)=C2C4=CC=CC=C4)C(NC(C)=O)C(O)C1O","spectrum_id":"CCMSLIB00005723014","spectrum_index":7607},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347672-02!N-[4,5-dihydroxy-2-[[4-[hydroxy(phenyl)methyl]-5-oxo-3-phenyl-2H-furan-2-yl]oxy]-6-(methoxymethyl)oxan-3-yl]acetamide [IIN-based on: CCMSLIB00000848988]","exact_mass":499.184,"inchikey":"UCFGUMMLHWLLKJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":1021.3576,"smiles":"COCC1OC(OC2OC(=O)C(C(O)C3=CC=CC=C3)=C2C4=CC=CC=C4)C(NC(C)=O)C(O)C1O","spectrum_id":"CCMSLIB00005723015","spectrum_index":7608},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347672-02!N-[4,5-dihydroxy-2-[[4-[hydroxy(phenyl)methyl]-5-oxo-3-phenyl-2H-furan-2-yl]oxy]-6-(methoxymethyl)oxan-3-yl]acetamide [IIN-based on: CCMSLIB00000848988]","exact_mass":499.184,"inchikey":"UCFGUMMLHWLLKJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":482.1812,"smiles":"COCC1OC(OC2OC(=O)C(C(O)C3=CC=CC=C3)=C2C4=CC=CC=C4)C(NC(C)=O)C(O)C1O","spectrum_id":"CCMSLIB00005723016","spectrum_index":7609},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347672-02!N-[4,5-dihydroxy-2-[[4-[hydroxy(phenyl)methyl]-5-oxo-3-phenyl-2H-furan-2-yl]oxy]-6-(methoxymethyl)oxan-3-yl]acetamide [IIN-based on: CCMSLIB00000848988]","exact_mass":499.184,"inchikey":"UCFGUMMLHWLLKJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.1734,"smiles":"COCC1OC(OC2OC(=O)C(C(O)C3=CC=CC=C3)=C2C4=CC=CC=C4)C(NC(C)=O)C(O)C1O","spectrum_id":"CCMSLIB00005723018","spectrum_index":7610},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347672-02!N-[4,5-dihydroxy-2-[[4-[hydroxy(phenyl)methyl]-5-oxo-3-phenyl-2H-furan-2-yl]oxy]-6-(methoxymethyl)oxan-3-yl]acetamide [IIN-based: Match]","exact_mass":499.184,"inchikey":"UCFGUMMLHWLLKJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":500.1914,"smiles":"COCC1OC(OC2OC(=O)C(C(O)C3=CC=CC=C3)=C2C4=CC=CC=C4)C(NC(C)=O)C(O)C1O","spectrum_id":"CCMSLIB00005723019","spectrum_index":7611},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380355-01!(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione [IIN-based on: CCMSLIB00000848984]","exact_mass":342.132,"inchikey":"MJMMUATWVTYSFD-YDFGWWAZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":707.2522,"smiles":"CC1CC(=O)OC(C)C(O)\\\\C=C\\\\C(=O)OC(C)C(O)\\\\C=C\\\\C(=O)O1","spectrum_id":"CCMSLIB00005723021","spectrum_index":7612},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380355-01!(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione [IIN-based on: CCMSLIB00000848984]","exact_mass":342.132,"inchikey":"MJMMUATWVTYSFD-YDFGWWAZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.1214,"smiles":"CC1CC(=O)OC(C)C(O)\\\\C=C\\\\C(=O)OC(C)C(O)\\\\C=C\\\\C(=O)O1","spectrum_id":"CCMSLIB00005723022","spectrum_index":7613},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380355-01!(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione [IIN-based: Match]","exact_mass":342.132,"inchikey":"MJMMUATWVTYSFD-YDFGWWAZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":360.1657,"smiles":"CC1CC(=O)OC(C)C(O)\\\\C=C\\\\C(=O)OC(C)C(O)\\\\C=C\\\\C(=O)O1","spectrum_id":"CCMSLIB00005723023","spectrum_index":7614},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169136-03! [IIN-based on: CCMSLIB00000846685]","exact_mass":352.095,"inchikey":"SNMGCHVOXFNCCF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.0917,"smiles":"OC1C=CC(O)C23OC12C(O)C=CC34OC5=CC=CC6=CC=CC(O4)=C56","spectrum_id":"CCMSLIB00005723024","spectrum_index":7615},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169136-03! [IIN-based: Match]","exact_mass":352.095,"inchikey":"SNMGCHVOXFNCCF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":370.1289,"smiles":"OC1C=CC(O)C23OC12C(O)C=CC34OC5=CC=CC6=CC=CC(O4)=C56","spectrum_id":"CCMSLIB00005723026","spectrum_index":7616},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169136-03! [IIN-based on: CCMSLIB00000846685]","exact_mass":352.095,"inchikey":"SNMGCHVOXFNCCF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.0811,"smiles":"OC1C=CC(O)C23OC12C(O)C=CC34OC5=CC=CC6=CC=CC(O4)=C56","spectrum_id":"CCMSLIB00005723027","spectrum_index":7617},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169136-03! [IIN-based on: CCMSLIB00000846685]","exact_mass":352.095,"inchikey":"SNMGCHVOXFNCCF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":727.179,"smiles":"OC1C=CC(O)C23OC12C(O)C=CC34OC5=CC=CC6=CC=CC(O4)=C56","spectrum_id":"CCMSLIB00005723028","spectrum_index":7618},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380361-01![(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000848738]","exact_mass":622.242,"inchikey":"MHWAHKIDOYBXCN-FHVVLDLYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":331.1017,"smiles":"O[C@@H]1[C@@H](COC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)O[C@@H](OC(CCC3=CC=C(O)C=C3)CC(=O)CCC4=CC=C(O)C=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005723029","spectrum_index":7619},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380361-01![(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000848738]","exact_mass":622.242,"inchikey":"MHWAHKIDOYBXCN-FHVVLDLYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":623.2485,"smiles":"O[C@@H]1[C@@H](COC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)O[C@@H](OC(CCC3=CC=C(O)C=C3)CC(=O)CCC4=CC=C(O)C=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005723030","spectrum_index":7620},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380361-01![(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]","exact_mass":622.242,"inchikey":"MHWAHKIDOYBXCN-FHVVLDLYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":640.2758,"smiles":"O[C@@H]1[C@@H](COC(=O)\\\\C=C\\\\C2=CC=C(O)C=C2)O[C@@H](OC(CCC3=CC=C(O)C=C3)CC(=O)CCC4=CC=C(O)C=C4)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00005723032","spectrum_index":7621},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380259-01!2-[[4-[4,6-dihydroxy-3-(3-methylbut-2-enyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000848767]","exact_mass":804.284,"inchikey":"GQOCHCOFYNMUOJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":827.2733,"smiles":"COC1=C2C(C(O)C(OC2=CC(OC3OC(CO)C(O)C(O)C3O)=C1)C4=CC=C(O)C=C4)C5=C(O)C=C(O)C(CC=C(C)C)=C5OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00005723033","spectrum_index":7622},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00380259-01!2-[[4-[4,6-dihydroxy-3-(3-methylbut-2-enyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000848767]","exact_mass":804.284,"inchikey":"GQOCHCOFYNMUOJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":422.1231,"smiles":"COC1=C2C(C(O)C(OC2=CC(OC3OC(CO)C(O)C(O)C3O)=C1)C4=CC=C(O)C=C4)C5=C(O)C=C(O)C(CC=C(C)C)=C5OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00005723034","spectrum_index":7623},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380259-01!2-[[4-[4,6-dihydroxy-3-(3-methylbut-2-enyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","exact_mass":804.284,"inchikey":"GQOCHCOFYNMUOJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":805.2917,"smiles":"COC1=C2C(C(O)C(OC2=CC(OC3OC(CO)C(O)C(O)C3O)=C1)C4=CC=C(O)C=C4)C5=C(O)C=C(O)C(CC=C(C)C)=C5OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00005723035","spectrum_index":7624},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380259-01!2-[[4-[4,6-dihydroxy-3-(3-methylbut-2-enyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000848767]","exact_mass":804.284,"inchikey":"GQOCHCOFYNMUOJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":822.3183,"smiles":"COC1=C2C(C(O)C(OC2=CC(OC3OC(CO)C(O)C(O)C3O)=C1)C4=CC=C(O)C=C4)C5=C(O)C=C(O)C(CC=C(C)C)=C5OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00005723036","spectrum_index":7625},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380487-01!7,9-dimethoxy-6-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one [IIN-based: Match]","exact_mass":356.09,"inchikey":"LWUQVHKGVXRUPD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.0972,"smiles":"COC1=CC=C(C=C1)C2=C(OC)C(=O)C3=C(OC)C4=C(OCO4)C=C3O2","spectrum_id":"CCMSLIB00005723037","spectrum_index":7626},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380487-01!7,9-dimethoxy-6-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one [IIN-based on: CCMSLIB00000848673]","exact_mass":356.09,"inchikey":"LWUQVHKGVXRUPD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":735.1689,"smiles":"COC1=CC=C(C=C1)C2=C(OC)C(=O)C3=C(OC)C4=C(OCO4)C=C3O2","spectrum_id":"CCMSLIB00005723038","spectrum_index":7627},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380487-01!7,9-dimethoxy-6-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one [IIN-based on: CCMSLIB00000848673]","exact_mass":356.09,"inchikey":"LWUQVHKGVXRUPD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.0532,"smiles":"COC1=CC=C(C=C1)C2=C(OC)C(=O)C3=C(OC)C4=C(OCO4)C=C3O2","spectrum_id":"CCMSLIB00005723039","spectrum_index":7628},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380487-01!7,9-dimethoxy-6-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one [IIN-based on: CCMSLIB00000848673]","exact_mass":356.09,"inchikey":"LWUQVHKGVXRUPD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.0791,"smiles":"COC1=CC=C(C=C1)C2=C(OC)C(=O)C3=C(OC)C4=C(OCO4)C=C3O2","spectrum_id":"CCMSLIB00005723040","spectrum_index":7629},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169692-02!1,7,8-trihydroxy-3-methyl-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one [IIN-based on: CCMSLIB00000845261]","exact_mass":310.121,"inchikey":"FDVOVSCQDWKKHH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.11,"smiles":"CC1CC(O)C2=C3C(=O)C4=C(C(O)C3=CC=C2C1)C(O)=CC=C4","spectrum_id":"CCMSLIB00005723041","spectrum_index":7630},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169692-02!1,7,8-trihydroxy-3-methyl-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one [IIN-based: Match]","exact_mass":310.121,"inchikey":"FDVOVSCQDWKKHH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.1281,"smiles":"CC1CC(O)C2=C3C(=O)C4=C(C(O)C3=CC=C2C1)C(O)=CC=C4","spectrum_id":"CCMSLIB00005723042","spectrum_index":7631},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169692-02!1,7,8-trihydroxy-3-methyl-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one [IIN-based on: CCMSLIB00000845261]","exact_mass":310.121,"inchikey":"FDVOVSCQDWKKHH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":643.2298,"smiles":"CC1CC(O)C2=C3C(=O)C4=C(C(O)C3=CC=C2C1)C(O)=CC=C4","spectrum_id":"CCMSLIB00005723043","spectrum_index":7632},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169692-02!1,7,8-trihydroxy-3-methyl-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one [IIN-based on: CCMSLIB00000845261]","exact_mass":310.121,"inchikey":"FDVOVSCQDWKKHH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.1174,"smiles":"CC1CC(O)C2=C3C(=O)C4=C(C(O)C3=CC=C2C1)C(O)=CC=C4","spectrum_id":"CCMSLIB00005723044","spectrum_index":7633},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170014-03!(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based on: CCMSLIB00000848669]","exact_mass":306.158,"inchikey":"ZVMGKOAHBAIHLO-SOFGYWHQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":635.305,"smiles":"COC1=C(O)C=CC(\\\\C=C\\\\C(=O)NCCCCNC(C)=O)=C1","spectrum_id":"CCMSLIB00005723045","spectrum_index":7634},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170014-03!(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based: Match]","exact_mass":306.158,"inchikey":"ZVMGKOAHBAIHLO-SOFGYWHQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.1654,"smiles":"COC1=C(O)C=CC(\\\\C=C\\\\C(=O)NCCCCNC(C)=O)=C1","spectrum_id":"CCMSLIB00005723046","spectrum_index":7635},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170014-03!(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based on: CCMSLIB00000848669]","exact_mass":306.158,"inchikey":"ZVMGKOAHBAIHLO-SOFGYWHQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.1477,"smiles":"COC1=C(O)C=CC(\\\\C=C\\\\C(=O)NCCCCNC(C)=O)=C1","spectrum_id":"CCMSLIB00005723047","spectrum_index":7636},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380399-01!5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-(1,2,6-trimethyl-5-oxocyclohex-3-en-1-yl)penta-2,4-dienyl]benzaldehyde [IIN-based on: CCMSLIB00000845692]","exact_mass":402.16,"inchikey":"ZLAQYJKDQSZARB-OGCXVWDESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.1572,"smiles":"CC1C=CC(=O)C(C)C1(C)\\\\C=C\\\\C(C)=C\\\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00005723048","spectrum_index":7637},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380399-01!5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-(1,2,6-trimethyl-5-oxocyclohex-3-en-1-yl)penta-2,4-dienyl]benzaldehyde [IIN-based: Match]","exact_mass":402.16,"inchikey":"ZLAQYJKDQSZARB-OGCXVWDESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.168,"smiles":"CC1C=CC(=O)C(C)C1(C)\\\\C=C\\\\C(C)=C\\\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00005723049","spectrum_index":7638},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380399-01!5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-(1,2,6-trimethyl-5-oxocyclohex-3-en-1-yl)penta-2,4-dienyl]benzaldehyde [IIN-based on: CCMSLIB00000845692]","exact_mass":402.16,"inchikey":"ZLAQYJKDQSZARB-OGCXVWDESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.1497,"smiles":"CC1C=CC(=O)C(C)C1(C)\\\\C=C\\\\C(C)=C\\\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00005723050","spectrum_index":7639},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380401-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one [IIN-based: Match]","exact_mass":418.199,"inchikey":"GPXPJKFETRLRAS-AHUKKWBBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.2068,"smiles":"CC[C@H]1O[C@@H]2O[C@H](\\\\C=C\\\\C=C\\\\C=C\\\\C3=C(C)C(OC)=CC(=O)O3)[C@H](O)[C@]2(C)[C@@]1(C)O","spectrum_id":"CCMSLIB00005723051","spectrum_index":7640},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380401-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one [IIN-based on: CCMSLIB00000845271]","exact_mass":418.199,"inchikey":"GPXPJKFETRLRAS-AHUKKWBBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.1887,"smiles":"CC[C@H]1O[C@@H]2O[C@H](\\\\C=C\\\\C=C\\\\C=C\\\\C3=C(C)C(OC)=CC(=O)O3)[C@H](O)[C@]2(C)[C@@]1(C)O","spectrum_id":"CCMSLIB00005723052","spectrum_index":7641},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380401-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one [IIN-based on: CCMSLIB00000845271]","exact_mass":418.199,"inchikey":"GPXPJKFETRLRAS-AHUKKWBBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":859.3879,"smiles":"CC[C@H]1O[C@@H]2O[C@H](\\\\C=C\\\\C=C\\\\C=C\\\\C3=C(C)C(OC)=CC(=O)O3)[C@H](O)[C@]2(C)[C@@]1(C)O","spectrum_id":"CCMSLIB00005723053","spectrum_index":7642},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380401-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one [IIN-based on: CCMSLIB00000845271]","exact_mass":418.199,"inchikey":"GPXPJKFETRLRAS-AHUKKWBBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.1886,"smiles":"CC[C@H]1O[C@@H]2O[C@H](\\\\C=C\\\\C=C\\\\C=C\\\\C3=C(C)C(OC)=CC(=O)O3)[C@H](O)[C@]2(C)[C@@]1(C)O","spectrum_id":"CCMSLIB00005723054","spectrum_index":7643},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380401-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one [IIN-based: Match]","exact_mass":418.199,"inchikey":"GPXPJKFETRLRAS-AHUKKWBBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.2068,"smiles":"CC[C@H]1O[C@@H]2O[C@H](\\\\C=C\\\\C=C\\\\C=C\\\\C3=C(C)C(OC)=CC(=O)O3)[C@H](O)[C@]2(C)[C@@]1(C)O","spectrum_id":"CCMSLIB00005723055","spectrum_index":7644},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169854-03!4,4-bis(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybutanoic acid [IIN-based on: CCMSLIB00000848743]","exact_mass":498.116,"inchikey":"DYFXVIVUWANJGN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.1056,"smiles":"COC(CC(C1=C(O)C2=C(C=C(C)OC2=O)C=C1O)C3=C(O)C4=C(C=C(C)OC4=O)C=C3O)C(O)=O","spectrum_id":"CCMSLIB00005723056","spectrum_index":7645},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169854-03!4,4-bis(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybutanoic acid [IIN-based: Match]","exact_mass":498.116,"inchikey":"DYFXVIVUWANJGN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":499.1236,"smiles":"COC(CC(C1=C(O)C2=C(C=C(C)OC2=O)C=C1O)C3=C(O)C4=C(C=C(C)OC4=O)C=C3O)C(O)=O","spectrum_id":"CCMSLIB00005723057","spectrum_index":7646},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00169854-03!4,4-bis(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybutanoic acid [IIN-based on: CCMSLIB00000848743]","exact_mass":498.116,"inchikey":"DYFXVIVUWANJGN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.039,"smiles":"COC(CC(C1=C(O)C2=C(C=C(C)OC2=O)C=C1O)C3=C(O)C4=C(C=C(C)OC4=O)C=C3O)C(O)=O","spectrum_id":"CCMSLIB00005723058","spectrum_index":7647},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384865-01!5-hydroxy-7-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one [IIN-based on: CCMSLIB00000846956]","exact_mass":436.188,"inchikey":"QJFJALJGKXGWFO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":895.3658,"smiles":"COC1=C(C=CC(O)=C1CC=C(C)C)C2COC3=CC4=C(C=CC(C)(C)O4)C(O)=C3C2=O","spectrum_id":"CCMSLIB00005723060","spectrum_index":7648},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384865-01!5-hydroxy-7-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one [IIN-based: Match]","exact_mass":436.188,"inchikey":"QJFJALJGKXGWFO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.1956,"smiles":"COC1=C(C=CC(O)=C1CC=C(C)C)C2COC3=CC4=C(C=CC(C)(C)O4)C(O)=C3C2=O","spectrum_id":"CCMSLIB00005723061","spectrum_index":7649},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347728-02!3-(5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl)hexanoic acid [IIN-based: Match]","exact_mass":388.188,"inchikey":"JZWLSXINEVHWEP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.1959,"smiles":"CCCC(CC(O)=O)C1=C2OC(C)C(C)C(=O)C2=C(O)C3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00005723062","spectrum_index":7650},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347728-02!3-(5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl)hexanoic acid [IIN-based on: CCMSLIB00000848449]","exact_mass":388.188,"inchikey":"JZWLSXINEVHWEP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.1595,"smiles":"CCCC(CC(O)=O)C1=C2OC(C)C(C)C(=O)C2=C(O)C3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00005723063","spectrum_index":7651},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384869-01!4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione [IIN-based on: CCMSLIB00000846960]","exact_mass":486.334,"inchikey":"PGQUPZCFLHXEHV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":469.3312,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1=C2C=CC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1=O","spectrum_id":"CCMSLIB00005723066","spectrum_index":7652},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384869-01!4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione [IIN-based on: CCMSLIB00000846960]","exact_mass":486.334,"inchikey":"PGQUPZCFLHXEHV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.3208,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1=C2C=CC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1=O","spectrum_id":"CCMSLIB00005723068","spectrum_index":7653},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384869-01!4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione [IIN-based on: CCMSLIB00000846960]","exact_mass":486.334,"inchikey":"PGQUPZCFLHXEHV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":995.6577,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1=C2C=CC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1=O","spectrum_id":"CCMSLIB00005723069","spectrum_index":7654},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384869-01!4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione [IIN-based on: CCMSLIB00000846960]","exact_mass":486.334,"inchikey":"PGQUPZCFLHXEHV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":509.3243,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1=C2C=CC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1=O","spectrum_id":"CCMSLIB00005723070","spectrum_index":7655},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384869-01!4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione [IIN-based: Match]","exact_mass":486.334,"inchikey":"PGQUPZCFLHXEHV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.3421,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1=C2C=CC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1=O","spectrum_id":"CCMSLIB00005723071","spectrum_index":7656},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384865-01!5-hydroxy-7-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one [IIN-based on: CCMSLIB00000846956]","exact_mass":436.189,"inchikey":"QJFJALJGKXGWFO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.1522,"smiles":"COC1=C(C=CC(O)=C1CC=C(C)C)C2COC3=CC4=C(C=CC(C)(C)O4)C(O)=C3C2=O","spectrum_id":"CCMSLIB00005723072","spectrum_index":7657},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384865-01!5-hydroxy-7-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one [IIN-based: Match]","exact_mass":436.189,"inchikey":"QJFJALJGKXGWFO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":437.196,"smiles":"COC1=C(C=CC(O)=C1CC=C(C)C)C2COC3=CC4=C(C=CC(C)(C)O4)C(O)=C3C2=O","spectrum_id":"CCMSLIB00005723073","spectrum_index":7658},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384865-01!5-hydroxy-7-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one [IIN-based on: CCMSLIB00000846956]","exact_mass":436.189,"inchikey":"QJFJALJGKXGWFO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":895.366,"smiles":"COC1=C(C=CC(O)=C1CC=C(C)C)C2COC3=CC4=C(C=CC(C)(C)O4)C(O)=C3C2=O","spectrum_id":"CCMSLIB00005723074","spectrum_index":7659},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385004-01!5-hydroxy-8,8-dimethyl-6-(2-methylbutanoyl)-4-phenylpyrano[2,3-h]chromen-2-one [IIN-based: Match]","exact_mass":404.162,"inchikey":"YJSXHUXXMDAOCE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.1698,"smiles":"CCC(C)C(=O)C1=C2OC(C)(C)C=CC2=C3OC(=O)C=C(C4=CC=CC=C4)C3=C1O","spectrum_id":"CCMSLIB00005723075","spectrum_index":7660},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385005-01! [IIN-based on: CCMSLIB00000846176]","exact_mass":750.325,"inchikey":"CUCNRHYDISBEQH-BNAQAYEJSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":773.3144,"smiles":"CCCCCC(=O)O[C@H]1C[C@@H](C)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(C)=O)[C@@H](OC(=O)C4=CC=CC=C4)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@H]1OC(=O)C5=CC=CC=C5","spectrum_id":"CCMSLIB00005723076","spectrum_index":7661},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385005-01! [IIN-based: Match]","exact_mass":750.325,"inchikey":"CUCNRHYDISBEQH-BNAQAYEJSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":768.359,"smiles":"CCCCCC(=O)O[C@H]1C[C@@H](C)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(C)=O)[C@@H](OC(=O)C4=CC=CC=C4)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@H]1OC(=O)C5=CC=CC=C5","spectrum_id":"CCMSLIB00005723077","spectrum_index":7662},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385005-01! [IIN-based on: CCMSLIB00000846176]","exact_mass":750.325,"inchikey":"CUCNRHYDISBEQH-BNAQAYEJSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":789.288,"smiles":"CCCCCC(=O)O[C@H]1C[C@@H](C)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(C)=O)[C@@H](OC(=O)C4=CC=CC=C4)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@H]1OC(=O)C5=CC=CC=C5","spectrum_id":"CCMSLIB00005723078","spectrum_index":7663},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168840-03!5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid [IIN-based on: CCMSLIB00000848446]","exact_mass":320.235,"inchikey":"RNWHJFUXZQBBLK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.232,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O","spectrum_id":"CCMSLIB00005723079","spectrum_index":7664},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168840-03!5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid [IIN-based on: CCMSLIB00000848446]","exact_mass":320.235,"inchikey":"RNWHJFUXZQBBLK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.2214,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O","spectrum_id":"CCMSLIB00005723080","spectrum_index":7665},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168840-03!5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid [IIN-based: Match]","exact_mass":320.235,"inchikey":"RNWHJFUXZQBBLK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.2426,"smiles":"CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O","spectrum_id":"CCMSLIB00005723081","spectrum_index":7666},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384872-01!4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene [IIN-based: Match]","exact_mass":358.215,"inchikey":"ORQFDHFZSMXRLM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":376.2485,"smiles":"COC1=CC=C(CC(C)C(C)CC2=CC(OC)=C(OC)C=C2)C=C1OC","spectrum_id":"CCMSLIB00005723082","spectrum_index":7667},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00013053-07!3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one [IIN-based: Match]","exact_mass":420.157,"inchikey":"GHCZYXUOYFOXIP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.1647,"smiles":"CC(C)=CCC1=C(O)C2=C(OC=C(C2=O)C3=CC(O)=C(O)C=C3)C4=C1OC(C)(C)C=C4","spectrum_id":"CCMSLIB00005723084","spectrum_index":7668},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00013053-07!3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one [IIN-based on: CCMSLIB00000848635]","exact_mass":420.157,"inchikey":"GHCZYXUOYFOXIP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":863.3037,"smiles":"CC(C)=CCC1=C(O)C2=C(OC=C(C2=O)C3=CC(O)=C(O)C=C3)C4=C1OC(C)(C)C=C4","spectrum_id":"CCMSLIB00005723085","spectrum_index":7669},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347728-02!3-(5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl)hexanoic acid [IIN-based on: CCMSLIB00000848449]","exact_mass":388.189,"inchikey":"JZWLSXINEVHWEP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.1854,"smiles":"CCCC(CC(O)=O)C1=C2OC(C)C(C)C(=O)C2=C(O)C3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00005723086","spectrum_index":7670},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347728-02!3-(5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl)hexanoic acid [IIN-based: Match]","exact_mass":388.189,"inchikey":"JZWLSXINEVHWEP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.196,"smiles":"CCCC(CC(O)=O)C1=C2OC(C)C(C)C(=O)C2=C(O)C3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00005723087","spectrum_index":7671},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385217-01! [IIN-based: Match]","exact_mass":388.189,"inchikey":"PICOUNAPKDEPCA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.1964,"smiles":"COC1=C(OC)C2=C(CC(C)C(C)CC3=C2C(OC)=C(OC)C(O)=C3)C=C1O","spectrum_id":"CCMSLIB00005723089","spectrum_index":7672},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384858-01!5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-phenylpyrano[2,3-h]chromen-2-one [IIN-based: Match]","exact_mass":390.147,"inchikey":"SVCPILBFQWTZFW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.1542,"smiles":"CC(C)C(=O)C1=C(O)C2=C(OC(=O)C=C2C3=CC=CC=C3)C4=C1OC(C)(C)C=C4","spectrum_id":"CCMSLIB00005723090","spectrum_index":7673},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095966-03!4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000849060]","exact_mass":414.132,"inchikey":"HLBPOYVRLSXWJJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.1657,"smiles":"COC1=CC(=CC(OC)=C1OC)C2C3C(COC3=O)CC4=C2C=C5OCOC5=C4O","spectrum_id":"CCMSLIB00005723091","spectrum_index":7674},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095966-03!4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000849060]","exact_mass":414.132,"inchikey":"HLBPOYVRLSXWJJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":851.2525,"smiles":"COC1=CC(=CC(OC)=C1OC)C2C3C(COC3=O)CC4=C2C=C5OCOC5=C4O","spectrum_id":"CCMSLIB00005723093","spectrum_index":7675},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00095966-03!4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based: Match]","exact_mass":414.132,"inchikey":"HLBPOYVRLSXWJJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.1386,"smiles":"COC1=CC(=CC(OC)=C1OC)C2C3C(COC3=O)CC4=C2C=C5OCOC5=C4O","spectrum_id":"CCMSLIB00005723094","spectrum_index":7676},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385261-01! [IIN-based on: CCMSLIB00000847601]","exact_mass":426.132,"inchikey":"MYQAATJJIDGOMQ-AYPBNUJASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":875.2524,"smiles":"COC1=CC2=C(C=C1OC)[C@@]3(O)[C@@H](CO2)OC4=C5C[C@@H](OC5=CC=C4C3=O)C(=C)CO","spectrum_id":"CCMSLIB00005723095","spectrum_index":7677},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00385261-01! [IIN-based: Match]","exact_mass":426.132,"inchikey":"MYQAATJJIDGOMQ-AYPBNUJASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.1287,"smiles":"COC1=CC2=C(C=C1OC)[C@@]3(O)[C@@H](CO2)OC4=C5C[C@@H](OC5=CC=C4C3=O)C(=C)CO","spectrum_id":"CCMSLIB00005723096","spectrum_index":7678},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347728-02!3-(5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl)hexanoic acid [IIN-based on: CCMSLIB00000848449]","exact_mass":388.189,"inchikey":"JZWLSXINEVHWEP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.1857,"smiles":"CCCC(CC(O)=O)C1=C2OC(C)C(C)C(=O)C2=C(O)C3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00005723097","spectrum_index":7679},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347728-02!3-(5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl)hexanoic acid [IIN-based: Match]","exact_mass":388.189,"inchikey":"JZWLSXINEVHWEP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.1962,"smiles":"CCCC(CC(O)=O)C1=C2OC(C)C(C)C(=O)C2=C(O)C3=C1OC(C)(C)C=C3","spectrum_id":"CCMSLIB00005723098","spectrum_index":7680},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169378-02!(E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide [IIN-based on: CCMSLIB00000845287]","exact_mass":297.137,"inchikey":"QRFDENJATPJOKG-KPKJPENVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":617.2624,"smiles":"COC1=CC=C(C=C1)C(O)CNC(=O)\\\\C=C\\\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00005723100","spectrum_index":7681},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169378-02!(E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide [IIN-based: Match]","exact_mass":297.137,"inchikey":"QRFDENJATPJOKG-KPKJPENVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":280.1333,"smiles":"COC1=CC=C(C=C1)C(O)CNC(=O)\\\\C=C\\\\C2=CC=CC=C2","spectrum_id":"CCMSLIB00005723101","spectrum_index":7682},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180216-02!6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based on: CCMSLIB00000845038]","exact_mass":328.131,"inchikey":"CRULJZWXPCYLAC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.1281,"smiles":"CC1CC(=O)C2=C(CCC3(O)C(O)C4=C(C=CC=C4O)C(=O)C23)C1","spectrum_id":"CCMSLIB00005723102","spectrum_index":7683},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180216-02!6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based: Match]","exact_mass":328.131,"inchikey":"CRULJZWXPCYLAC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.1386,"smiles":"CC1CC(=O)C2=C(CCC3(O)C(O)C4=C(C=CC=C4O)C(=O)C23)C1","spectrum_id":"CCMSLIB00005723103","spectrum_index":7684},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384909-01! [IIN-based on: CCMSLIB00000847492]","exact_mass":710.111,"inchikey":"ZRZWBWPDBOVIGQ-KJTCOYJYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":749.0743,"smiles":"CN1C(=O)[C@@]23C[C@@]4([C@H](NC5=C4C=CC=C5)N2C(=O)[C@]1(CO)SS3)N6C=C(C[C@]78SS[C@](CO)(N(C)C7=O)C(=O)N8C)C9=CC=CC=C69","spectrum_id":"CCMSLIB00005723105","spectrum_index":7685},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384909-01! [IIN-based: Match]","exact_mass":710.111,"inchikey":"ZRZWBWPDBOVIGQ-KJTCOYJYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":711.1186,"smiles":"CN1C(=O)[C@@]23C[C@@]4([C@H](NC5=C4C=CC=C5)N2C(=O)[C@]1(CO)SS3)N6C=C(C[C@]78SS[C@](CO)(N(C)C7=O)C(=O)N8C)C9=CC=CC=C69","spectrum_id":"CCMSLIB00005723106","spectrum_index":7686},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00384909-01! [IIN-based on: CCMSLIB00000847492]","exact_mass":710.111,"inchikey":"ZRZWBWPDBOVIGQ-KJTCOYJYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":733.1005,"smiles":"CN1C(=O)[C@@]23C[C@@]4([C@H](NC5=C4C=CC=C5)N2C(=O)[C@]1(CO)SS3)N6C=C(C[C@]78SS[C@](CO)(N(C)C7=O)C(=O)N8C)C9=CC=CC=C69","spectrum_id":"CCMSLIB00005723107","spectrum_index":7687},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168839-02!(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based: Match]","exact_mass":480.309,"inchikey":"NKDFYOWSKOHCCO-MQMWGCQISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.3163,"smiles":"CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00005723108","spectrum_index":7688},{"adduct":"[M-3H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168839-02!(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based on: CCMSLIB00000848640]","exact_mass":480.309,"inchikey":"NKDFYOWSKOHCCO-MQMWGCQISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.2846,"smiles":"CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C","spectrum_id":"CCMSLIB00005723109","spectrum_index":7689},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380472-01!4,7,8-trimethoxy-3,5-dimethylchromen-2-one [IIN-based: Match]","exact_mass":264.1,"inchikey":"PKKTXAMCHLIVDS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.1073,"smiles":"COC1=C(OC)C2=C(C(C)=C1)C(OC)=C(C)C(=O)O2","spectrum_id":"CCMSLIB00005723111","spectrum_index":7690},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380472-01!4,7,8-trimethoxy-3,5-dimethylchromen-2-one [IIN-based on: CCMSLIB00000845769]","exact_mass":264.1,"inchikey":"PKKTXAMCHLIVDS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.0892,"smiles":"COC1=C(OC)C2=C(C(C)=C1)C(OC)=C(C)C(=O)O2","spectrum_id":"CCMSLIB00005723112","spectrum_index":7691},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179905-02!(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one [IIN-based on: CCMSLIB00000846372]","exact_mass":396.194,"inchikey":"GGNVSANPVOEGII-GXDHUFHOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":419.1833,"smiles":"COC1=CC=C(\\\\C=C\\\\C(=O)C2=C(OC)C(CC=C(C)C)=C(OC)C=C2OC)C=C1","spectrum_id":"CCMSLIB00005723114","spectrum_index":7692},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179905-02!(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one [IIN-based on: CCMSLIB00000846372]","exact_mass":396.194,"inchikey":"GGNVSANPVOEGII-GXDHUFHOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":815.3763,"smiles":"COC1=CC=C(\\\\C=C\\\\C(=O)C2=C(OC)C(CC=C(C)C)=C(OC)C=C2OC)C=C1","spectrum_id":"CCMSLIB00005723115","spectrum_index":7693},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179905-02!(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one [IIN-based: Match]","exact_mass":396.194,"inchikey":"GGNVSANPVOEGII-GXDHUFHOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.2015,"smiles":"COC1=CC=C(\\\\C=C\\\\C(=O)C2=C(OC)C(CC=C(C)C)=C(OC)C=C2OC)C=C1","spectrum_id":"CCMSLIB00005723116","spectrum_index":7694},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00179830-03!2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845048]","exact_mass":386.231,"inchikey":"VIHRKOVEWCGJQP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":213.096,"smiles":"CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00005723117","spectrum_index":7695},{"adduct":"[M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179830-03!2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845048]","exact_mass":386.231,"inchikey":"VIHRKOVEWCGJQP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.2018,"smiles":"CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00005723118","spectrum_index":7696},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179830-03!2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845048]","exact_mass":386.231,"inchikey":"VIHRKOVEWCGJQP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":369.2273,"smiles":"CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00005723119","spectrum_index":7697},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179830-03!2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845048]","exact_mass":386.231,"inchikey":"VIHRKOVEWCGJQP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":409.2201,"smiles":"CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00005723120","spectrum_index":7698},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179830-03!2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based: Match]","exact_mass":386.231,"inchikey":"VIHRKOVEWCGJQP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.2379,"smiles":"CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00005723121","spectrum_index":7699},{"adduct":"[2M-H+2Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179830-03!2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845048]","exact_mass":386.231,"inchikey":"VIHRKOVEWCGJQP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":817.4314,"smiles":"CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(O)=O","spectrum_id":"CCMSLIB00005723122","spectrum_index":7700},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347732-02!methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based: Match]","exact_mass":522.225,"inchikey":"LARSXHUKWMVHRB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":523.2324,"smiles":"COC(=O)C2(CC1=CC=C(O)C(CC=C(C)C)=C1)OC(=O)C(OC)=C2C3=CC(O)=C(O)C(CC=C(C)C)=C3","spectrum_id":"CCMSLIB00005723123","spectrum_index":7701},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347732-02!methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000845233]","exact_mass":522.225,"inchikey":"LARSXHUKWMVHRB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":545.2143,"smiles":"COC(=O)C2(CC1=CC=C(O)C(CC=C(C)C)=C1)OC(=O)C(OC)=C2C3=CC(O)=C(O)C(CC=C(C)C)=C3","spectrum_id":"CCMSLIB00005723125","spectrum_index":7702},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380469-01![2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate [IIN-based: Match]","exact_mass":374.136,"inchikey":"IAFDNCWNSBMBIV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.1437,"smiles":"CC(C)C(=O)OC1C(OC2=C1C=C3C=CC(=O)OC3=C2)C(C)(C)OC(C)=O","spectrum_id":"CCMSLIB00005723126","spectrum_index":7703},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380469-01![2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate [IIN-based on: CCMSLIB00000848503]","exact_mass":374.136,"inchikey":"IAFDNCWNSBMBIV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.1257,"smiles":"CC(C)C(=O)OC1C(OC2=C1C=C3C=CC(=O)OC3=C2)C(C)(C)OC(C)=O","spectrum_id":"CCMSLIB00005723127","spectrum_index":7704},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180802-02! [IIN-based: Match]","exact_mass":488.205,"inchikey":"UEVWVMGTABEFID-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":489.2125,"smiles":"COC1=C2CC3C(C)(CC4(O)OCC5(C)OC6(CCC3(C)C45O6)OC)OC2=C(C)C7=C1C(=O)OC7","spectrum_id":"CCMSLIB00005723128","spectrum_index":7705},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180802-02! [IIN-based on: CCMSLIB00000846187]","exact_mass":488.205,"inchikey":"UEVWVMGTABEFID-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":999.3991,"smiles":"COC1=C2CC3C(C)(CC4(O)OCC5(C)OC6(CCC3(C)C45O6)OC)OC2=C(C)C7=C1C(=O)OC7","spectrum_id":"CCMSLIB00005723129","spectrum_index":7706},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380585-01!(E)-3-[1-[(E)-but-2-en-2-yl]-9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid [IIN-based: Match]","exact_mass":440.147,"inchikey":"NTOXIMPFEPXTTB-GNXRPPCSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":458.1813,"smiles":"COC1=C(C)C2=C(OC3=C(CO)C(O)=CC(\\\\C(C)=C\\\\C(O)=O)=C3C(=O)O2)C(=C1)C(\\\\C)=C\\\\C","spectrum_id":"CCMSLIB00005723130","spectrum_index":7707},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380585-01!(E)-3-[1-[(E)-but-2-en-2-yl]-9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid [IIN-based on: CCMSLIB00000845225]","exact_mass":440.147,"inchikey":"NTOXIMPFEPXTTB-GNXRPPCSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.1367,"smiles":"COC1=C(C)C2=C(OC3=C(CO)C(O)=CC(\\\\C(C)=C\\\\C(O)=O)=C3C(=O)O2)C(=C1)C(\\\\C)=C\\\\C","spectrum_id":"CCMSLIB00005723131","spectrum_index":7708},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380585-01!(E)-3-[1-[(E)-but-2-en-2-yl]-9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid [IIN-based on: CCMSLIB00000845225]","exact_mass":440.147,"inchikey":"NTOXIMPFEPXTTB-GNXRPPCSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":423.1443,"smiles":"COC1=C(C)C2=C(OC3=C(CO)C(O)=CC(\\\\C(C)=C\\\\C(O)=O)=C3C(=O)O2)C(=C1)C(\\\\C)=C\\\\C","spectrum_id":"CCMSLIB00005723132","spectrum_index":7709},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380585-01!(E)-3-[1-[(E)-but-2-en-2-yl]-9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid [IIN-based on: CCMSLIB00000845225]","exact_mass":440.147,"inchikey":"NTOXIMPFEPXTTB-GNXRPPCSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.1549,"smiles":"COC1=C(C)C2=C(OC3=C(CO)C(O)=CC(\\\\C(C)=C\\\\C(O)=O)=C3C(=O)O2)C(=C1)C(\\\\C)=C\\\\C","spectrum_id":"CCMSLIB00005723133","spectrum_index":7710},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380882-01!5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde [IIN-based on: CCMSLIB00000845779]","exact_mass":406.192,"inchikey":"IJEHYEVNWOYGMS-WGUBEYSISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.1883,"smiles":"C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)CC\\\\C(C)=C\\\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00005723134","spectrum_index":7711},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380882-01!5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde [IIN-based on: CCMSLIB00000845779]","exact_mass":406.192,"inchikey":"IJEHYEVNWOYGMS-WGUBEYSISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":429.1809,"smiles":"C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)CC\\\\C(C)=C\\\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00005723135","spectrum_index":7712},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380882-01!5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde [IIN-based: Match]","exact_mass":406.192,"inchikey":"IJEHYEVNWOYGMS-WGUBEYSISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.1992,"smiles":"C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)CC\\\\C(C)=C\\\\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O","spectrum_id":"CCMSLIB00005723136","spectrum_index":7713},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380883-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-dihydroxy-2,3,3a-trimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one [IIN-based: Match]","exact_mass":404.184,"inchikey":"DTHZYTRJZMDQLM-QWMBVKPUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.1913,"smiles":"COC1=CC(=O)OC(\\\\C=C\\\\C=C\\\\C=C\\\\[C@H]2O[C@H]3O[C@H](C)[C@](C)(O)[C@@]3(C)[C@H]2O)=C1C","spectrum_id":"CCMSLIB00005723137","spectrum_index":7714},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380883-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-dihydroxy-2,3,3a-trimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one [IIN-based on: CCMSLIB00000847801]","exact_mass":404.184,"inchikey":"DTHZYTRJZMDQLM-QWMBVKPUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.173,"smiles":"COC1=CC(=O)OC(\\\\C=C\\\\C=C\\\\C=C\\\\[C@H]2O[C@H]3O[C@H](C)[C@](C)(O)[C@@]3(C)[C@H]2O)=C1C","spectrum_id":"CCMSLIB00005723138","spectrum_index":7715},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380883-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-dihydroxy-2,3,3a-trimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one [IIN-based on: CCMSLIB00000847801]","exact_mass":404.184,"inchikey":"DTHZYTRJZMDQLM-QWMBVKPUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":831.3565,"smiles":"COC1=CC(=O)OC(\\\\C=C\\\\C=C\\\\C=C\\\\[C@H]2O[C@H]3O[C@H](C)[C@](C)(O)[C@@]3(C)[C@H]2O)=C1C","spectrum_id":"CCMSLIB00005723139","spectrum_index":7716},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380621-01!4-oxo-4-(3-oxodecan-2-ylamino)butanoic acid [IIN-based on: CCMSLIB00000847798]","exact_mass":271.178,"inchikey":"DGBNCMKQNOJCFB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":294.1678,"smiles":"CCCCCCCC(=O)C(C)NC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00005723140","spectrum_index":7717},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380621-01!4-oxo-4-(3-oxodecan-2-ylamino)butanoic acid [IIN-based: Match]","exact_mass":271.178,"inchikey":"DGBNCMKQNOJCFB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.1858,"smiles":"CCCCCCCC(=O)C(C)NC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00005723141","spectrum_index":7718},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380621-01!4-oxo-4-(3-oxodecan-2-ylamino)butanoic acid [IIN-based on: CCMSLIB00000847798]","exact_mass":271.178,"inchikey":"DGBNCMKQNOJCFB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":254.1752,"smiles":"CCCCCCCC(=O)C(C)NC(=O)CCC(O)=O","spectrum_id":"CCMSLIB00005723142","spectrum_index":7719},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168939-02!8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based on: CCMSLIB00000847794]","exact_mass":248.105,"inchikey":"KEYNBOUNPFJEST-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.1019,"smiles":"CC(=O)CCCC1CC2=C(C(=O)O1)C(O)=CC=C2","spectrum_id":"CCMSLIB00005723143","spectrum_index":7720},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168939-02!8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based on: CCMSLIB00000847794]","exact_mass":248.105,"inchikey":"KEYNBOUNPFJEST-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.0686,"smiles":"CC(=O)CCCC1CC2=C(C(=O)O1)C(O)=CC=C2","spectrum_id":"CCMSLIB00005723144","spectrum_index":7721},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168939-02!8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based: Match]","exact_mass":248.105,"inchikey":"KEYNBOUNPFJEST-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.1124,"smiles":"CC(=O)CCCC1CC2=C(C(=O)O1)C(O)=CC=C2","spectrum_id":"CCMSLIB00005723145","spectrum_index":7722},{"adduct":"[M-3H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168939-02!8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based on: CCMSLIB00000847794]","exact_mass":248.105,"inchikey":"KEYNBOUNPFJEST-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":195.0805,"smiles":"CC(=O)CCCC1CC2=C(C(=O)O1)C(O)=CC=C2","spectrum_id":"CCMSLIB00005723146","spectrum_index":7723},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168939-02!8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based on: CCMSLIB00000847794]","exact_mass":248.105,"inchikey":"KEYNBOUNPFJEST-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":213.0912,"smiles":"CC(=O)CCCC1CC2=C(C(=O)O1)C(O)=CC=C2","spectrum_id":"CCMSLIB00005723147","spectrum_index":7724},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380883-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-dihydroxy-2,3,3a-trimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one [IIN-based on: CCMSLIB00000847801]","exact_mass":404.184,"inchikey":"DTHZYTRJZMDQLM-QWMBVKPUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":427.1732,"smiles":"COC1=CC(=O)OC(\\\\C=C\\\\C=C\\\\C=C\\\\[C@H]2O[C@H]3O[C@H](C)[C@](C)(O)[C@@]3(C)[C@H]2O)=C1C","spectrum_id":"CCMSLIB00005723149","spectrum_index":7725},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380883-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-dihydroxy-2,3,3a-trimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one [IIN-based: Match]","exact_mass":404.184,"inchikey":"DTHZYTRJZMDQLM-QWMBVKPUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":405.1912,"smiles":"COC1=CC(=O)OC(\\\\C=C\\\\C=C\\\\C=C\\\\[C@H]2O[C@H]3O[C@H](C)[C@](C)(O)[C@@]3(C)[C@H]2O)=C1C","spectrum_id":"CCMSLIB00005723151","spectrum_index":7726},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380601-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]acetamide [IIN-based: Match]","exact_mass":239.116,"inchikey":"WCMUUYZSUQJWRX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":240.1231,"smiles":"COC1=CC(=O)OC(=C1)C(NC(C)=O)C(C)C","spectrum_id":"CCMSLIB00005723152","spectrum_index":7727},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380601-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]acetamide [IIN-based on: CCMSLIB00000848500]","exact_mass":239.116,"inchikey":"WCMUUYZSUQJWRX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":262.1051,"smiles":"COC1=CC(=O)OC(=C1)C(NC(C)=O)C(C)C","spectrum_id":"CCMSLIB00005723154","spectrum_index":7728},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347750-02!(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid [IIN-based on: CCMSLIB00000847931]","exact_mass":431.289,"inchikey":"OOEOVXMORBPOKC-LNBSYBDWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":414.2864,"smiles":"CCCCCCC(O)CCCCCC\\\\C=C\\\\[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@H](N)C(O)=O","spectrum_id":"CCMSLIB00005723155","spectrum_index":7729},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347750-02!(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid [IIN-based: Match]","exact_mass":431.289,"inchikey":"OOEOVXMORBPOKC-LNBSYBDWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":454.2783,"smiles":"CCCCCCC(O)CCCCCC\\\\C=C\\\\[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@H](N)C(O)=O","spectrum_id":"CCMSLIB00005723156","spectrum_index":7730},{"adduct":"[M-2H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347750-02!(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid [IIN-based on: CCMSLIB00000847931]","exact_mass":431.289,"inchikey":"OOEOVXMORBPOKC-LNBSYBDWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":396.2753,"smiles":"CCCCCCC(O)CCCCCC\\\\C=C\\\\[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@H](N)C(O)=O","spectrum_id":"CCMSLIB00005723157","spectrum_index":7731},{"adduct":"[M-4H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347750-02!(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid [IIN-based on: CCMSLIB00000847931]","exact_mass":431.289,"inchikey":"OOEOVXMORBPOKC-LNBSYBDWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":360.2539,"smiles":"CCCCCCC(O)CCCCCC\\\\C=C\\\\[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@H](N)C(O)=O","spectrum_id":"CCMSLIB00005723158","spectrum_index":7732},{"adduct":"[M-3H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347750-02!(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid [IIN-based on: CCMSLIB00000847931]","exact_mass":431.289,"inchikey":"OOEOVXMORBPOKC-LNBSYBDWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":378.2645,"smiles":"CCCCCCC(O)CCCCCC\\\\C=C\\\\[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@H](N)C(O)=O","spectrum_id":"CCMSLIB00005723159","spectrum_index":7733},{"adduct":"[2M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00347750-02!(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid [IIN-based on: CCMSLIB00000847931]","exact_mass":431.289,"inchikey":"OOEOVXMORBPOKC-LNBSYBDWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.2695,"smiles":"CCCCCCC(O)CCCCCC\\\\C=C\\\\[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@H](N)C(O)=O","spectrum_id":"CCMSLIB00005723160","spectrum_index":7734},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179905-02!(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one [IIN-based: Match]","exact_mass":396.194,"inchikey":"GGNVSANPVOEGII-GXDHUFHOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":397.2015,"smiles":"COC1=CC=C(\\\\C=C\\\\C(=O)C2=C(OC)C(CC=C(C)C)=C(OC)C=C2OC)C=C1","spectrum_id":"CCMSLIB00005723161","spectrum_index":7735},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179905-02!(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one [IIN-based on: CCMSLIB00000846372]","exact_mass":396.194,"inchikey":"GGNVSANPVOEGII-GXDHUFHOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":815.3765,"smiles":"COC1=CC=C(\\\\C=C\\\\C(=O)C2=C(OC)C(CC=C(C)C)=C(OC)C=C2OC)C=C1","spectrum_id":"CCMSLIB00005723162","spectrum_index":7736},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169490-02!3-butan-2-yl-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione [IIN-based on: CCMSLIB00000845774]","exact_mass":270.137,"inchikey":"FLHQAMWKNPOTDV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.1258,"smiles":"CCC(C)C1NC(=O)C2=C1N(C)C3=C(C=CC=C3)C2=O","spectrum_id":"CCMSLIB00005723163","spectrum_index":7737},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169490-02!3-butan-2-yl-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione [IIN-based: Match]","exact_mass":270.137,"inchikey":"FLHQAMWKNPOTDV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.1442,"smiles":"CCC(C)C1NC(=O)C2=C1N(C)C3=C(C=CC=C3)C2=O","spectrum_id":"CCMSLIB00005723164","spectrum_index":7738},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169490-02!3-butan-2-yl-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione [IIN-based on: CCMSLIB00000845774]","exact_mass":270.137,"inchikey":"FLHQAMWKNPOTDV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.1002,"smiles":"CCC(C)C1NC(=O)C2=C1N(C)C3=C(C=CC=C3)C2=O","spectrum_id":"CCMSLIB00005723165","spectrum_index":7739},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169490-02!3-butan-2-yl-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione [IIN-based on: CCMSLIB00000845774]","exact_mass":270.137,"inchikey":"FLHQAMWKNPOTDV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.2629,"smiles":"CCC(C)C1NC(=O)C2=C1N(C)C3=C(C=CC=C3)C2=O","spectrum_id":"CCMSLIB00005723166","spectrum_index":7740},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169698-03!3-hydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based: Match]","exact_mass":336.1,"inchikey":"XZLGWJORNHETKI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.1068,"smiles":"COC1=C2C(=O)C3=CC=C4CC(C)(O)CC(=O)C4=C3C(=O)C2=CC=C1","spectrum_id":"CCMSLIB00005723167","spectrum_index":7741},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00169698-03!3-hydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000846183]","exact_mass":336.1,"inchikey":"XZLGWJORNHETKI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":695.1889,"smiles":"COC1=C2C(=O)C3=CC=C4CC(C)(O)CC(=O)C4=C3C(=O)C2=CC=C1","spectrum_id":"CCMSLIB00005723168","spectrum_index":7742},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180529-03!(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone [IIN-based: Match]","exact_mass":639.409,"inchikey":"MIZMDSVSLSIMSC-VYLWARHZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":640.4167,"smiles":"CC(C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00005723170","spectrum_index":7743},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00180529-03!(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone [IIN-based on: CCMSLIB00000846051]","exact_mass":639.409,"inchikey":"MIZMDSVSLSIMSC-VYLWARHZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.6854,"smiles":"CC(C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00005723171","spectrum_index":7744},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180529-03!(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone [IIN-based on: CCMSLIB00000846051]","exact_mass":639.409,"inchikey":"MIZMDSVSLSIMSC-VYLWARHZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":657.443,"smiles":"CC(C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00005723172","spectrum_index":7745},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180529-03!(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone [IIN-based on: CCMSLIB00000846051]","exact_mass":639.409,"inchikey":"MIZMDSVSLSIMSC-VYLWARHZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":678.37,"smiles":"CC(C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00005723173","spectrum_index":7746},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180529-03!(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone [IIN-based on: CCMSLIB00000846051]","exact_mass":639.409,"inchikey":"MIZMDSVSLSIMSC-VYLWARHZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":662.3985,"smiles":"CC(C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)C","spectrum_id":"CCMSLIB00005723174","spectrum_index":7747},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380664-01!4-[(E)-3-hydroxy-8,10-dimethyl-2-(methylamino)dodec-6-enyl]phenol [IIN-based on: CCMSLIB00000847532]","exact_mass":333.267,"inchikey":"RNCWKUCWPBNWOH-SOFGYWHQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.2636,"smiles":"CCC(C)CC(C)\\\\C=C\\\\CCC(O)C(CC1=CC=C(O)C=C1)NC","spectrum_id":"CCMSLIB00005723175","spectrum_index":7748},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380664-01!4-[(E)-3-hydroxy-8,10-dimethyl-2-(methylamino)dodec-6-enyl]phenol [IIN-based: Match]","exact_mass":333.267,"inchikey":"RNCWKUCWPBNWOH-SOFGYWHQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":334.2743,"smiles":"CCC(C)CC(C)\\\\C=C\\\\CCC(O)C(CC1=CC=C(O)C=C1)NC","spectrum_id":"CCMSLIB00005723176","spectrum_index":7749},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380635-01![(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based: Match]","exact_mass":648.372,"inchikey":"YTRXIFNFFGXRFV-JBAQQFLCSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":666.4054,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(=O)CCCCC","spectrum_id":"CCMSLIB00005723178","spectrum_index":7750},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380635-01![(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based on: CCMSLIB00000846280]","exact_mass":648.372,"inchikey":"YTRXIFNFFGXRFV-JBAQQFLCSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":671.3609,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(=O)CCCCC","spectrum_id":"CCMSLIB00005723179","spectrum_index":7751},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380635-01![(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based on: CCMSLIB00000846280]","exact_mass":648.372,"inchikey":"YTRXIFNFFGXRFV-JBAQQFLCSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":631.3679,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(=O)CCCCC","spectrum_id":"CCMSLIB00005723180","spectrum_index":7752},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380635-01![(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based on: CCMSLIB00000846280]","exact_mass":648.372,"inchikey":"YTRXIFNFFGXRFV-JBAQQFLCSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":687.3346,"smiles":"CCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@H]1OC(=O)CCCCC","spectrum_id":"CCMSLIB00005723181","spectrum_index":7753},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00168976-02!5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based: Match]","exact_mass":258.089,"inchikey":"JSJIIHRNDMLJGK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.0967,"smiles":"COC1=C2C=CC(=O)OC2=CC3=C1C=CC(C)(C)O3","spectrum_id":"CCMSLIB00005723184","spectrum_index":7754},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380669-01!2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol [IIN-based on: CCMSLIB00000846705]","exact_mass":418.199,"inchikey":"KKEKLEUWEJUCRA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.1887,"smiles":"COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C2=CC(OC)=C(OC)C(OC)=C2","spectrum_id":"CCMSLIB00005723185","spectrum_index":7755},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380669-01!2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol [IIN-based: Match]","exact_mass":418.199,"inchikey":"KKEKLEUWEJUCRA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":401.1962,"smiles":"COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C2=CC(OC)=C(OC)C(OC)=C2","spectrum_id":"CCMSLIB00005723186","spectrum_index":7756},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380669-01!2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol [IIN-based on: CCMSLIB00000846705]","exact_mass":418.199,"inchikey":"KKEKLEUWEJUCRA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":859.3876,"smiles":"COC1=CC(CC=C)=CC(OC)=C1OC(C)C(O)C2=CC(OC)=C(OC)C(OC)=C2","spectrum_id":"CCMSLIB00005723187","spectrum_index":7757},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380638-01! [IIN-based on: CCMSLIB00000848040]","exact_mass":372.04,"inchikey":"POXKBPUNCDMQMW-YLVJLNSGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":767.0692,"smiles":"COC1=C2[C@H]3C=CO[C@H]3OC2=CC4=C1C(=O)C5=C(OC)C(Cl)=CC=C5O4","spectrum_id":"CCMSLIB00005723188","spectrum_index":7758},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380638-01! [IIN-based: Match]","exact_mass":372.04,"inchikey":"POXKBPUNCDMQMW-YLVJLNSGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.0478,"smiles":"COC1=C2[C@H]3C=CO[C@H]3OC2=CC4=C1C(=O)C5=C(OC)C(Cl)=CC=C5O4","spectrum_id":"CCMSLIB00005723189","spectrum_index":7759},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380634-01!2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol [IIN-based on: CCMSLIB00000846269]","exact_mass":390.131,"inchikey":"YBVIOLRRXMAGAE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":803.2519,"smiles":"COC1=C(OC)C(OC)=C2OCC3C(OC4=C3C=C(O)C(OC)=C4OC)C2=C1","spectrum_id":"CCMSLIB00005723190","spectrum_index":7760},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380634-01!2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol [IIN-based on: CCMSLIB00000846269]","exact_mass":390.131,"inchikey":"YBVIOLRRXMAGAE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.1206,"smiles":"COC1=C(OC)C(OC)=C2OCC3C(OC4=C3C=C(O)C(OC)=C4OC)C2=C1","spectrum_id":"CCMSLIB00005723191","spectrum_index":7761},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380634-01!2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol [IIN-based: Match]","exact_mass":390.131,"inchikey":"YBVIOLRRXMAGAE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":391.1389,"smiles":"COC1=C(OC)C(OC)=C2OCC3C(OC4=C3C=C(O)C(OC)=C4OC)C2=C1","spectrum_id":"CCMSLIB00005723192","spectrum_index":7762},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347542-02!4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol [IIN-based on: CCMSLIB00000848919]","exact_mass":328.168,"inchikey":"XCRBJSLPMIXFOO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":679.3232,"smiles":"COC1=CC=C(C=C1OC)C2OC(C(C)C2C)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00005723193","spectrum_index":7763},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347542-02!4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol [IIN-based on: CCMSLIB00000848919]","exact_mass":328.168,"inchikey":"XCRBJSLPMIXFOO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.1749,"smiles":"COC1=CC=C(C=C1OC)C2OC(C(C)C2C)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00005723194","spectrum_index":7764},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00347542-02!4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol [IIN-based: Match]","exact_mass":328.168,"inchikey":"XCRBJSLPMIXFOO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.1643,"smiles":"COC1=CC=C(C=C1OC)C2OC(C(C)C2C)C3=CC=C(O)C=C3","spectrum_id":"CCMSLIB00005723195","spectrum_index":7765},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00170025-02!N-(1-hydroxy-3-phenylpropan-2-yl)benzamide [IIN-based: Match]","exact_mass":255.126,"inchikey":"RFYNAVYPYXLVOM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":256.1335,"smiles":"OCC(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2","spectrum_id":"CCMSLIB00005723196","spectrum_index":7766},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380679-01![2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbut-2-enoate [IIN-based on: CCMSLIB00000845091]","exact_mass":376.152,"inchikey":"JQBVDJFDZQVCGH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.1155,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(OC(=O)C=C(C)C)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00005723197","spectrum_index":7767},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380679-01![2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbut-2-enoate [IIN-based on: CCMSLIB00000845091]","exact_mass":376.152,"inchikey":"JQBVDJFDZQVCGH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.1416,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(OC(=O)C=C(C)C)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00005723198","spectrum_index":7768},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380679-01![2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbut-2-enoate [IIN-based: Match]","exact_mass":376.152,"inchikey":"JQBVDJFDZQVCGH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.1596,"smiles":"COC1=C(C=C2C=CC(=O)OC2=C1)C(OC(=O)C=C(C)C)C(O)C(C)(C)O","spectrum_id":"CCMSLIB00005723199","spectrum_index":7769},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00180261-02!1,11,21-trihydroxy-1,6,11,16,21,26-hexazacyclohentriacontane-2,5,12,15,22,25-hexone [IIN-based on: CCMSLIB00000845569]","exact_mass":572.317,"inchikey":"YEUGMACLLZSLDG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":306.1394,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00005723200","spectrum_index":7770},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180261-02!1,11,21-trihydroxy-1,6,11,16,21,26-hexazacyclohentriacontane-2,5,12,15,22,25-hexone [IIN-based: Match]","exact_mass":572.317,"inchikey":"YEUGMACLLZSLDG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":573.3244,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00005723201","spectrum_index":7771},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00180261-02!1,11,21-trihydroxy-1,6,11,16,21,26-hexazacyclohentriacontane-2,5,12,15,22,25-hexone [IIN-based on: CCMSLIB00000845569]","exact_mass":572.317,"inchikey":"YEUGMACLLZSLDG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.306,"smiles":"ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC1=O","spectrum_id":"CCMSLIB00005723202","spectrum_index":7772},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380673-01!4-[1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2-methoxyphenol [IIN-based: Match]","exact_mass":344.162,"inchikey":"WCFYXOLUODJLKB-AATRIKPKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":327.1592,"smiles":"COC1=C(O)C=CC(=C1)C(O)C(C)OC2=C(OC)C=C(C=C2)\\\\C=C\\\\C","spectrum_id":"CCMSLIB00005723203","spectrum_index":7773},{"adduct":"[2M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380673-01!4-[1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2-methoxyphenol [IIN-based on: CCMSLIB00000845840]","exact_mass":344.162,"inchikey":"WCFYXOLUODJLKB-AATRIKPKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":711.3136,"smiles":"COC1=C(O)C=CC(=C1)C(O)C(C)OC2=C(OC)C=C(C=C2)\\\\C=C\\\\C","spectrum_id":"CCMSLIB00005723204","spectrum_index":7774},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380699-01! [IIN-based on: CCMSLIB00000846061]","exact_mass":684.409,"inchikey":"RCCBGOMNZWYBTJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":707.3986,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00005723205","spectrum_index":7775},{"adduct":"[M+K]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380699-01! [IIN-based on: CCMSLIB00000846061]","exact_mass":684.409,"inchikey":"RCCBGOMNZWYBTJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":723.3721,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00005723206","spectrum_index":7776},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00380699-01! [IIN-based: Match]","exact_mass":684.409,"inchikey":"RCCBGOMNZWYBTJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":702.4429,"smiles":"CC(CC(O)C(O)C(C)(C)O)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC6OC(CO)C(O)C(O)C6O","spectrum_id":"CCMSLIB00005723207","spectrum_index":7777},{"adduct":"[M-H2O+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00178646-02!2,4-dihydroxyheptadecyl acetate [IIN-based: Match]","exact_mass":330.277,"inchikey":"ZBVKFVTUHVIICH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.2735,"smiles":"CCCCCCCCCCCCCC(O)CC(O)COC(C)=O","spectrum_id":"CCMSLIB00005723208","spectrum_index":7778},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179920-02![(2S,3R,4R,5S,6S)-2-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-5-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-4-yl] (E)-3-phenylprop-2-enoate [IIN-based on: CCMSLIB00000846713]","exact_mass":768.263,"inchikey":"OQXBCMJIIDQITC-PJROZREGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":791.252,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)\\\\C=C\\\\C6=CC=CC=C6)[C@H](OC(=O)\\\\C=C\\\\C7=CC=CC=C7)[C@H]1O","spectrum_id":"CCMSLIB00005723209","spectrum_index":7779},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"NCGC00179920-02![(2S,3R,4R,5S,6S)-2-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-5-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-4-yl] (E)-3-phenylprop-2-enoate [IIN-based: Match]","exact_mass":768.263,"inchikey":"OQXBCMJIIDQITC-PJROZREGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":786.2969,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)\\\\C=C\\\\C6=CC=CC=C6)[C@H](OC(=O)\\\\C=C\\\\C7=CC=CC=C7)[C@H]1O","spectrum_id":"CCMSLIB00005723210","spectrum_index":7780},{"adduct":"[M+Ca]2+","analyzer":null,"charge":2,"chromatography":null,"compound_name":"NCGC00179920-02![(2S,3R,4R,5S,6S)-2-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-5-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-4-yl] (E)-3-phenylprop-2-enoate [IIN-based on: CCMSLIB00000846713]","exact_mass":768.263,"inchikey":"OQXBCMJIIDQITC-PJROZREGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":404.1125,"smiles":"C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)\\\\C=C\\\\C6=CC=CC=C6)[C@H](OC(=O)\\\\C=C\\\\C7=CC=CC=C7)[C@H]1O","spectrum_id":"CCMSLIB00005723211","spectrum_index":7781}]
