[{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-Naringenin (PUT) - 33.7384eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.112,"smiles":null,"spectrum_id":"CCMSLIB00004683236","spectrum_index":0},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-hexA-Chrysoeriol (or Kaempferide) (PUT) - 42.6435eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":637.135,"smiles":null,"spectrum_id":"CCMSLIB00004683237","spectrum_index":1},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"HexA-Chrysoeriol (or Kaempferide) (PUT) - 36.0996eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.086,"smiles":null,"spectrum_id":"CCMSLIB00004683238","spectrum_index":2},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glc-octadecatrienoyl-sn-glycerol (isomer 2) (PUT) - 37.9993eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":513.304,"smiles":null,"spectrum_id":"CCMSLIB00004683239","spectrum_index":3},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glc-octadecatrienoyl-sn-glycerol (isomer 2) (PUT) - 39.7245eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.309,"smiles":null,"spectrum_id":"CCMSLIB00004683241","spectrum_index":4},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 39.7246eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.309,"smiles":null,"spectrum_id":"CCMSLIB00004683243","spectrum_index":5},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-hex-Mal-Bayogenin (isomer 1) (PUT) - 52.4eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":897.445,"smiles":null,"spectrum_id":"CCMSLIB00004683244","spectrum_index":6},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-hex-Mal-Bayogenin (isomer 2) (PUT) - 50.8eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":853.456,"smiles":null,"spectrum_id":"CCMSLIB00004683245","spectrum_index":7},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-hex-hexA-Bayogenin (PUT) - 55.7812eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":987.477,"smiles":null,"spectrum_id":"CCMSLIB00004683246","spectrum_index":8},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-hex-hex-Mal-Bayogenin (PUT) - 58.482eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1059.5,"smiles":null,"spectrum_id":"CCMSLIB00004683247","spectrum_index":9},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-hex-hex-Mal-Bayogenin (PUT) - 56.8322eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1015.51,"smiles":null,"spectrum_id":"CCMSLIB00004683248","spectrum_index":10},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-hexA-Mal-Gypsogenic acid (or Polygalagenin) (PUT) - 51.2039eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":865.419,"smiles":null,"spectrum_id":"CCMSLIB00004683249","spectrum_index":11},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-hex-hex-Pen-Bayogenin (PUT) - 62.4591eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1165.56,"smiles":null,"spectrum_id":"CCMSLIB00004683250","spectrum_index":12},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-hex-Polygalagenin (PUT) - 50.8295eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":855.436,"smiles":null,"spectrum_id":"CCMSLIB00004683251","spectrum_index":13},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-hexA-Mal-Hederagenin (PUT) - 50.6796eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":851.44,"smiles":null,"spectrum_id":"CCMSLIB00004683252","spectrum_index":14},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-hexA-Mal-Hederagenin (PUT) - 52.3293eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":895.429,"smiles":null,"spectrum_id":"CCMSLIB00004683253","spectrum_index":15},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-Medicagenic acid (PUT) - 43.6271eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":663.372,"smiles":null,"spectrum_id":"CCMSLIB00004683254","spectrum_index":16},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-hexA-dhex-Pen-Pen-Pen (or hex-hex-hex-hex-dhex-Mal) Zanhic acid (PUT) - 42.4605eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":632.268,"smiles":null,"spectrum_id":"CCMSLIB00004683255","spectrum_index":17},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-hexA-dhex-Pen-Pen-Pen (or hex-hex-hex-hex-dhex-Mal) Zanhic acid (PUT) - 71.1603eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1397.58,"smiles":null,"spectrum_id":"CCMSLIB00004683256","spectrum_index":18},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"HexA-dhex-Pen-Pen-Pen-Zanhic acid (PUT) - 41.8978eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":617.262,"smiles":null,"spectrum_id":"CCMSLIB00004683257","spectrum_index":19},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"HexA-dhex-Pen-Pen-Pen-Zanhic acid (PUT) - 65.0835eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1235.53,"smiles":null,"spectrum_id":"CCMSLIB00004683258","spectrum_index":20},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-hex-hexA-hederagenin (or hex-hex-hexA-2-hydroxyoleanolic acid) (peak 2) (Put) - 55.1813eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":971.482,"smiles":null,"spectrum_id":"CCMSLIB00004683259","spectrum_index":21},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-hexA-dhex Bayogenin (PUT) - 55.1813eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":971.479,"smiles":null,"spectrum_id":"CCMSLIB00004683260","spectrum_index":22},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-hex Hederagenin (+ formic acid) (PUT) - 50.3053eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":841.456,"smiles":null,"spectrum_id":"CCMSLIB00004683261","spectrum_index":23},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hexadecanoyl-hydroxy-sn-glycerophosphocholine (PUT) - 39.0128eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":540.326,"smiles":null,"spectrum_id":"CCMSLIB00004683262","spectrum_index":24},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hexadecanoyl-hydroxy-sn-glyceroethanolamine (PUT) - 34.8161eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":452.275,"smiles":null,"spectrum_id":"CCMSLIB00004683264","spectrum_index":25},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 2) (PUT) - 45.8016eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":721.372,"smiles":null,"spectrum_id":"CCMSLIB00004683265","spectrum_index":26},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 2) (PUT) - 44.0763eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":675.375,"smiles":null,"spectrum_id":"CCMSLIB00004683266","spectrum_index":27},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 44.0764eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":675.355,"smiles":null,"spectrum_id":"CCMSLIB00004683267","spectrum_index":28},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glc-Glc-octadecatrienoyl-sn-glycerol (isomer 1) (PUT) - 45.8016eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":721.361,"smiles":null,"spectrum_id":"CCMSLIB00004683268","spectrum_index":29},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hex-Hederagenin (or 2-hydroxyoleanolic acid) (PUT) - 44.2282eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":679.401,"smiles":null,"spectrum_id":"CCMSLIB00004683270","spectrum_index":30},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"HexA-Hederagenin (PUT) - 43.0273eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":647.376,"smiles":null,"spectrum_id":"CCMSLIB00004683271","spectrum_index":31},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"HexA-Apigenin (or Galangin or Genistein) (PUT) - 34.411eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.076,"smiles":null,"spectrum_id":"CCMSLIB00004683272","spectrum_index":32},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"8-Prenylnaringenin - 20eV","exact_mass":340.131074,"inchikey":"LPEPZZAVFJPLNZ-SFHVURJKSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.128,"smiles":"CC(=CCc1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3)O)O)O)C","spectrum_id":"CCMSLIB00004683275","spectrum_index":33},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"8-Prenylnaringenin - 30eV","exact_mass":340.131074,"inchikey":"LPEPZZAVFJPLNZ-SFHVURJKSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.128,"smiles":"CC(=CCc1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3)O)O)O)C","spectrum_id":"CCMSLIB00004683277","spectrum_index":34},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Chrysin - 26.25eV","exact_mass":254.057909,"inchikey":"RTIXKCRFFJGDFG-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.052,"smiles":"c1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)O)O","spectrum_id":"CCMSLIB00004683283","spectrum_index":35},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Chrysin - 40eV","exact_mass":254.057909,"inchikey":"RTIXKCRFFJGDFG-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.055,"smiles":"c1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)O)O","spectrum_id":"CCMSLIB00004683284","spectrum_index":36},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Catechin - 20eV","exact_mass":290.079038,"inchikey":"PFTAWBLQPZVEMU-DZGCQCFKSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.077,"smiles":"c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)O)O)O","spectrum_id":"CCMSLIB00004683285","spectrum_index":37},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Catechin - 26.25eV","exact_mass":290.079038,"inchikey":"PFTAWBLQPZVEMU-DZGCQCFKSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.071,"smiles":"c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)O)O)O","spectrum_id":"CCMSLIB00004683286","spectrum_index":38},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6-Hydroxyflavone - 30eV","exact_mass":238.062994,"inchikey":"GPZYYYGYCRFPBU-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.06,"smiles":"c1ccc(cc1)c2cc(=O)c3cc(ccc3o2)O","spectrum_id":"CCMSLIB00004683287","spectrum_index":39},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6-Hydroxyflavone - 26.25eV","exact_mass":238.062994,"inchikey":"GPZYYYGYCRFPBU-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.056,"smiles":"c1ccc(cc1)c2cc(=O)c3cc(ccc3o2)O","spectrum_id":"CCMSLIB00004683288","spectrum_index":40},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Hydroxyflavone - 40eV","exact_mass":238.062994,"inchikey":"MQGPSCMMNJKMHQ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.06,"smiles":"O=c1cc(-c2ccccc2)oc2cc(O)ccc12","spectrum_id":"CCMSLIB00004683289","spectrum_index":41},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Hydroxyflavone - 10eV","exact_mass":238.062994,"inchikey":"HVQAJTFOCKOKIN-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.053,"smiles":"c1ccc(cc1)c2c(c(=O)c3ccccc3o2)O","spectrum_id":"CCMSLIB00004683290","spectrum_index":42},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Hydroxyflavone - 20eV","exact_mass":238.062994,"inchikey":"HVQAJTFOCKOKIN-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.053,"smiles":"c1ccc(cc1)c2c(c(=O)c3ccccc3o2)O","spectrum_id":"CCMSLIB00004683291","spectrum_index":43},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Hydroxyflavone - 30eV","exact_mass":238.062994,"inchikey":"HVQAJTFOCKOKIN-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.06,"smiles":"c1ccc(cc1)c2c(c(=O)c3ccccc3o2)O","spectrum_id":"CCMSLIB00004683292","spectrum_index":44},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Naringenin - 25eV","exact_mass":272.068473,"inchikey":"FTVWIRXFELQLPI-ZDUSSCGKSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.065,"smiles":"c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O","spectrum_id":"CCMSLIB00004683293","spectrum_index":45},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Naringenin - 20eV","exact_mass":272.068473,"inchikey":"FTVWIRXFELQLPI-ZDUSSCGKSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.062,"smiles":"c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O","spectrum_id":"CCMSLIB00004683297","spectrum_index":46},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4'-Hydroxyflavone - 30eV","exact_mass":238.062994,"inchikey":"SHGLJXBLXNNCTE-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.062,"smiles":"c1ccc2c(c1)c(=O)cc(o2)c3ccc(cc3)O","spectrum_id":"CCMSLIB00004683298","spectrum_index":47},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7,4'-Dihydroxyflavone - 25eV","exact_mass":254.057909,"inchikey":"LCAWNFIFMLXZPQ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.053,"smiles":"c1cc(ccc1c2cc(=O)c3ccc(cc3o2)O)O","spectrum_id":"CCMSLIB00004683299","spectrum_index":48},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Biochanin A (5,7-dihydroxy-4'-methoxyisoflavone) - 40eV","exact_mass":284.068473,"inchikey":"WUADCCWRTIWANL-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.069,"smiles":"COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1","spectrum_id":"CCMSLIB00004683300","spectrum_index":49},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Biochanin A (5,7-dihydroxy-4'-methoxyisoflavone) - 30eV","exact_mass":284.068473,"inchikey":"WUADCCWRTIWANL-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.07,"smiles":"COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1","spectrum_id":"CCMSLIB00004683302","spectrum_index":50},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Biochanin A (5,7-dihydroxy-4'-methoxyisoflavone) - 20eV","exact_mass":284.068473,"inchikey":"WUADCCWRTIWANL-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.07,"smiles":"COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1","spectrum_id":"CCMSLIB00004683303","spectrum_index":51},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-GluA-28-Xyl(1-4)Rha(1-2)Ara Medicagenic acid (NMR) - 59.5317eV","exact_mass":1088.503953,"inchikey":"RPWKGRUCXRZSSG-YJCAFWCGSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1087.51,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)C)C)C)(C)C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)O","spectrum_id":"CCMSLIB00004683304","spectrum_index":52},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glu(1-3)GluA-28-Xyl(1-4)[Api(1-3)]Rha(1-2)Ara Medicagenic acid (NMR) - 70.5601eV","exact_mass":1382.599036,"inchikey":"TXOSKRBRXVSPJN-WTWXDXNZSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1381.61,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO)O)C)C)C)(C)C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C(=O)O)O","spectrum_id":"CCMSLIB00004683306","spectrum_index":53},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-GluA-28-Xyl(1-4)[Api(1-3)]Rha(1-2)Ara Medicagenic acid (NMR) - 64.4835eV","exact_mass":1220.546212,"inchikey":"MOBNVBHCGSZLDY-VBYBTYMUSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1219.53,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO)O)C)C)C)(C)C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)O","spectrum_id":"CCMSLIB00004683308","spectrum_index":54},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glu-28-Xyl(1-4)[Api(1-3)]Rha(1-2)Ara Medicagenic acid (NMR) - 63.9592eV","exact_mass":1206.566948,"inchikey":"ADIBRWUTYMYVDH-DUIVSVLLSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1205.56,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO)O)C)C)C)(C)C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O","spectrum_id":"CCMSLIB00004683310","spectrum_index":55},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Oct-1-en-3-yl Ara (1-6)Glu (NMR) - 33.0683eV","exact_mass":422.215197,"inchikey":"VXNMHZVTDWLWRX-GNRUMFBNSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":421.208,"smiles":"CCCCC[C@@H](O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)C=C","spectrum_id":"CCMSLIB00004683312","spectrum_index":56},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Apigenin - 30eV","exact_mass":270.052823,"inchikey":"KZNIFHPLKGYRTM-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.052,"smiles":"c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O)O)O","spectrum_id":"CCMSLIB00004683313","spectrum_index":57},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pseudobaptigenin - 25eV","exact_mass":282.052823,"inchikey":"KNJNBKINYHZUGC-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.048,"smiles":"c1cc2c(cc1c3coc4cc(ccc4c3=O)O)OCO2","spectrum_id":"CCMSLIB00004683315","spectrum_index":58},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pseudobaptigenin - 35eV","exact_mass":282.052823,"inchikey":"KNJNBKINYHZUGC-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.048,"smiles":"c1cc2c(cc1c3coc4cc(ccc4c3=O)O)OCO2","spectrum_id":"CCMSLIB00004683316","spectrum_index":59},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Prunetin - 10eV","exact_mass":284.068473,"inchikey":"KQMVAGISDHMXJJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.063,"smiles":"COc1cc(c2c(c1)occ(c2=O)c3ccc(cc3)O)O","spectrum_id":"CCMSLIB00004683317","spectrum_index":60},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Prunetin - 20eV","exact_mass":284.068473,"inchikey":"KQMVAGISDHMXJJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.064,"smiles":"COc1cc(c2c(c1)occ(c2=O)c3ccc(cc3)O)O","spectrum_id":"CCMSLIB00004683319","spectrum_index":61},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Prunetin - 30eV","exact_mass":284.068473,"inchikey":"KQMVAGISDHMXJJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.064,"smiles":"COc1cc(c2c(c1)occ(c2=O)c3ccc(cc3)O)O","spectrum_id":"CCMSLIB00004683322","spectrum_index":62},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Rha(1-2)Gal(1-2)GluA-Soyasaponenol B (NMR) - 52.5eV","exact_mass":942.518816,"inchikey":"PTDAHAWQAGSZDD-VJQGOKKYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":941.512,"smiles":"C1[C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)([C@@H](CC(C1)(C)C)O)C)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)CO)O)O)C(=O)O","spectrum_id":"CCMSLIB00004683327","spectrum_index":63},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Genistein - 40eV","exact_mass":270.052823,"inchikey":"TZBJGXHYKVUXJN-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.049,"smiles":"c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O)O","spectrum_id":"CCMSLIB00004683328","spectrum_index":64},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Genistin - 30eV","exact_mass":432.105647,"inchikey":"ZCOLJUOHXJRHDI-CMWLGVBASA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.097,"smiles":"c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683329","spectrum_index":65},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Genistin - 50eV","exact_mass":432.105647,"inchikey":"ZCOLJUOHXJRHDI-CMWLGVBASA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.1,"smiles":"c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683330","spectrum_index":66},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Genistin - 40eV","exact_mass":432.105647,"inchikey":"ZCOLJUOHXJRHDI-CMWLGVBASA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.099,"smiles":"c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683331","spectrum_index":67},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Genistin - 10eV","exact_mass":432.105647,"inchikey":"ZCOLJUOHXJRHDI-CMWLGVBASA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.099,"smiles":"c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683332","spectrum_index":68},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Genistin - 20eV","exact_mass":432.105647,"inchikey":"ZCOLJUOHXJRHDI-CMWLGVBASA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.099,"smiles":"c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683333","spectrum_index":69},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Resveratrol - 20eV","exact_mass":228.078644,"inchikey":"LUKBXSAWLPMMSZ-OWOJBTEDSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":227.075,"smiles":"c1cc(ccc1/C=C/c2cc(cc(c2)O)O)O","spectrum_id":"CCMSLIB00004683341","spectrum_index":70},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Rutin - 40eV","exact_mass":610.153385,"inchikey":"IKGXIBQEEMLURG-NVPNHPEKSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.142,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004683345","spectrum_index":71},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6,8-Diprenylnaringenin - 20eV","exact_mass":408.193674,"inchikey":"HCNLDGTUMBOHKT-NRFANRHFSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.186,"smiles":"CC(=CCc1c(c(c2c(c1O)C(=O)C[C@H](O2)c3ccc(cc3)O)CC=C(C)C)O)C","spectrum_id":"CCMSLIB00004683347","spectrum_index":72},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6,8-Diprenylnaringenin - 10eV","exact_mass":408.193674,"inchikey":"HCNLDGTUMBOHKT-NRFANRHFSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.186,"smiles":"CC(=CCc1c(c(c2c(c1O)C(=O)C[C@H](O2)c3ccc(cc3)O)CC=C(C)C)O)C","spectrum_id":"CCMSLIB00004683349","spectrum_index":73},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6,8-Diprenylnaringenin - 30eV","exact_mass":408.193674,"inchikey":"HCNLDGTUMBOHKT-NRFANRHFSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.185,"smiles":"CC(=CCc1c(c(c2c(c1O)C(=O)C[C@H](O2)c3ccc(cc3)O)CC=C(C)C)O)C","spectrum_id":"CCMSLIB00004683351","spectrum_index":74},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6,8-Diprenylnaringenin - 40eV","exact_mass":408.193674,"inchikey":"HCNLDGTUMBOHKT-NRFANRHFSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.2,"smiles":"CC(=CCc1c(c(c2c(c1O)C(=O)C[C@H](O2)c3ccc(cc3)O)CC=C(C)C)O)C","spectrum_id":"CCMSLIB00004683352","spectrum_index":75},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6-Prenylnaringenin - 30eV","exact_mass":340.131074,"inchikey":"YHWNASRGLKJRJJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.128,"smiles":"CC(=CCc1c(cc2c(c1O)C(=O)CC(O2)c3ccc(cc3)O)O)C","spectrum_id":"CCMSLIB00004683353","spectrum_index":76},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Sinapoyl malate-4'-methyl ester (NMR) - 26.8632eV","exact_mass":354.095082,"inchikey":"YAPSBOBZXRDEJO-SNAWJCMRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.07,"smiles":"c1c(c(c(cc1/C=C/C(=O)OC(CC(=O)OC)C(=O)O)OC)O)OC","spectrum_id":"CCMSLIB00004683360","spectrum_index":77},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6-Prenylnaringenin - 20eV","exact_mass":340.131074,"inchikey":"YHWNASRGLKJRJJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.128,"smiles":"CC(=CCc1c(cc2c(c1O)C(=O)CC(O2)c3ccc(cc3)O)O)C","spectrum_id":"CCMSLIB00004683361","spectrum_index":78},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Cohumulone - 40eV","exact_mass":348.193674,"inchikey":"DRSITEVYZGOOQG-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.2,"smiles":"CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O","spectrum_id":"CCMSLIB00004683363","spectrum_index":79},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Sinapoyl malate-1'-methyl ester (NMR) - 26.8638eV","exact_mass":354.095082,"inchikey":"UBQMBIFYXNOHMG-SNAWJCMRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.077,"smiles":"c1c(c(c(cc1/C=C/C(=O)OC(CC(=O)O)C(=O)OC)OC)O)OC","spectrum_id":"CCMSLIB00004683364","spectrum_index":80},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Cohumulone - 20eV","exact_mass":348.193674,"inchikey":"DRSITEVYZGOOQG-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.2,"smiles":"CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O","spectrum_id":"CCMSLIB00004683367","spectrum_index":81},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Cohumulone - 30eV","exact_mass":348.193674,"inchikey":"DRSITEVYZGOOQG-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":347.2,"smiles":"CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O","spectrum_id":"CCMSLIB00004683368","spectrum_index":82},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Humulone - 20eV","exact_mass":362.209324,"inchikey":"VMSLCPKYRPDHLN-OAQYLSRUSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.196,"smiles":"CC(C)CC(=O)C1=C(C(=C([C@@](C1=O)(CC=C(C)C)O)O)CC=C(C)C)O","spectrum_id":"CCMSLIB00004683369","spectrum_index":83},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Humulone - 10eV","exact_mass":362.209324,"inchikey":"VMSLCPKYRPDHLN-OAQYLSRUSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":361.2,"smiles":"CC(C)CC(=O)C1=C(C(=C([C@@](C1=O)(CC=C(C)C)O)O)CC=C(C)C)O","spectrum_id":"CCMSLIB00004683370","spectrum_index":84},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Luteolin - 30eV","exact_mass":286.047738,"inchikey":"IQPNAANSBPBGFQ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.048,"smiles":"c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)O)O)O)O","spectrum_id":"CCMSLIB00004683371","spectrum_index":85},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"9Z,12Z-Linoleic acid (NMR) - 10eV","exact_mass":280.24023,"inchikey":"OYHQOLUKZRVURQ-HZJYTTRNSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.233,"smiles":"OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC","spectrum_id":"CCMSLIB00004683379","spectrum_index":86},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"9Z,12Z-Linoleic acid (NMR) - 20eV","exact_mass":280.24023,"inchikey":"OYHQOLUKZRVURQ-HZJYTTRNSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.233,"smiles":"OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC","spectrum_id":"CCMSLIB00004683380","spectrum_index":87},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Palmitic acid (NMR) - 30eV","exact_mass":256.24023,"inchikey":"IPCSVZSSVZVIGE-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.232,"smiles":"OC(=O)CCCCCCCCCCCCCCC","spectrum_id":"CCMSLIB00004683385","spectrum_index":88},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5-Hydroxyflavone - 20eV","exact_mass":238.062994,"inchikey":"IYBLVRRCNVHZQJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.061,"smiles":"c1ccc(cc1)c2cc(=O)c3c(cccc3o2)O","spectrum_id":"CCMSLIB00004683386","spectrum_index":89},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Palmitic acid (NMR) - 10eV","exact_mass":256.24023,"inchikey":"IPCSVZSSVZVIGE-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.233,"smiles":"OC(=O)CCCCCCCCCCCCCCC","spectrum_id":"CCMSLIB00004683387","spectrum_index":90},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2,4-Dihydroxyacetophenone - 10eV","exact_mass":152.047344,"inchikey":"SULYEHHGGXARJS-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":151.044,"smiles":"CC(=O)c1ccc(cc1O)O","spectrum_id":"CCMSLIB00004683388","spectrum_index":91},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Palmitic acid (NMR) - 20eV","exact_mass":256.24023,"inchikey":"IPCSVZSSVZVIGE-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.233,"smiles":"OC(=O)CCCCCCCCCCCCCCC","spectrum_id":"CCMSLIB00004683389","spectrum_index":92},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4'-O-(2'-E-Coumaroyl GluA)(1-2)GluA) Apigenin (NMR) - 32.3054eV","exact_mass":768.153779,"inchikey":"NCJNNMWJQIKYLO-FRVSQPBBSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":769.156,"smiles":"c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)OC(=O)/C=C/c1ccc(cc1)O)O)O)C(=O)O)O)O","spectrum_id":"CCMSLIB00004683390","spectrum_index":93},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2,4-Dihydroxyacetophenone - 20eV","exact_mass":152.047344,"inchikey":"SULYEHHGGXARJS-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":151.044,"smiles":"CC(=O)c1ccc(cc1O)O","spectrum_id":"CCMSLIB00004683391","spectrum_index":94},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2,5-Dihydroxybenzoic acid - 10eV","exact_mass":154.026609,"inchikey":"WXTMDXOMEHJXQO-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":153.026,"smiles":"c1cc(c(cc1O)C(=O)O)O","spectrum_id":"CCMSLIB00004683392","spectrum_index":95},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2,6-Dihydroxyacetophenone - 20eV","exact_mass":152.047344,"inchikey":"YPTJKHVBDCRKNF-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":151.043,"smiles":"CC(=O)c1c(cccc1O)O","spectrum_id":"CCMSLIB00004683393","spectrum_index":96},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2,6-Dihydroxyacetophenone - 10eV","exact_mass":152.047344,"inchikey":"YPTJKHVBDCRKNF-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":151.043,"smiles":"CC(=O)c1c(cccc1O)O","spectrum_id":"CCMSLIB00004683396","spectrum_index":97},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4'-O-(2'-E-Coumaroyl GluA)(1-2)GluA) Apigenin (NMR) - 47.5185eV","exact_mass":768.153779,"inchikey":"NCJNNMWJQIKYLO-FRVSQPBBSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":767.146,"smiles":"c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)OC(=O)/C=C/c1ccc(cc1)O)O)O)C(=O)O)O)O","spectrum_id":"CCMSLIB00004683397","spectrum_index":98},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2'-Hydroxyflavone - 30eV","exact_mass":238.062994,"inchikey":"ZZLQHXCRRMUGQJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.055,"smiles":"c1ccc2c(c1)c(=O)cc(o2)c3ccccc3O","spectrum_id":"CCMSLIB00004683398","spectrum_index":99},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2'-Hydroxyflavone - 20eV","exact_mass":238.062994,"inchikey":"ZZLQHXCRRMUGQJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.055,"smiles":"c1ccc2c(c1)c(=O)cc(o2)c3ccccc3O","spectrum_id":"CCMSLIB00004683399","spectrum_index":100},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4-Methylumbelliferone - 30eV","exact_mass":176.047344,"inchikey":"HSHNITRMYYLLCV-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":175.045,"smiles":"Cc1cc(=O)oc2c1ccc(c2)O","spectrum_id":"CCMSLIB00004683400","spectrum_index":101},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5-Methoxysalicylic acid - 10eV","exact_mass":168.042259,"inchikey":"IZZIWIAOVZOBLF-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":167.036,"smiles":"COc1ccc(c(c1)C(=O)O)O","spectrum_id":"CCMSLIB00004683402","spectrum_index":102},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4'-O-(2'-E-Feruloyl GluA(1-2)GluA) Apigenin (NMR) - 32.9807eV","exact_mass":798.164343,"inchikey":"LNCLTICCQWMCNS-OJBICJBZSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":799.172,"smiles":"c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)OC(=O)/C=C/c1ccc(c(c1)OC)O)O)O)C(=O)O)O)O","spectrum_id":"CCMSLIB00004683403","spectrum_index":103},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Desmethylxanthohumol - 30eV","exact_mass":340.131074,"inchikey":"FUSADYLVRMROPL-UXBLZVDNSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.121,"smiles":"CC(=CCc1c(cc(c(c1O)C(=O)/C=C/c2ccc(cc2)O)O)O)C","spectrum_id":"CCMSLIB00004683404","spectrum_index":104},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4'-O-(2'-E-Feruloyl GluA(1-2)GluA) Apigenin (NMR) - 48.6439eV","exact_mass":798.164343,"inchikey":"LNCLTICCQWMCNS-OJBICJBZSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":797.156,"smiles":"c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)OC(=O)/C=C/c1ccc(c(c1)OC)O)O)O)C(=O)O)O)O","spectrum_id":"CCMSLIB00004683405","spectrum_index":105},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Xanthohumol - 20eV","exact_mass":354.146724,"inchikey":"ORXQGKIUCDPEAJ-YRNVUSSQSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.139,"smiles":"CC(=CCc1c(cc(c(c1O)C(=O)/C=C/c2ccc(cc2)O)OC)O)C","spectrum_id":"CCMSLIB00004683406","spectrum_index":106},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Vanillic acid - 10eV","exact_mass":168.042259,"inchikey":"WKOLLVMJNQIZCI-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":167.035,"smiles":"COc1cc(ccc1O)C(=O)O","spectrum_id":"CCMSLIB00004683410","spectrum_index":107},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Lupulone - 20eV","exact_mass":414.27701,"inchikey":"WPVSVIXDXMNGGN-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.269,"smiles":"CC(C)CC(=O)C1=C(C(C(=O)C(=C1O)CC=C(C)C)(CC=C(C)C)CC=C(C)C)O","spectrum_id":"CCMSLIB00004683416","spectrum_index":108},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4'-O-(2'-Z-Coumaroyl GluA)(1-2)GluA) Apigenin (NMR) - 47.5199eV","exact_mass":768.153779,"inchikey":"NCJNNMWJQIKYLO-WYFUIKBSSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":767.155,"smiles":"c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)OC(=O)/C=C\\c1ccc(cc1)O)O)O)C(=O)O)O)O","spectrum_id":"CCMSLIB00004683417","spectrum_index":109},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Lupulone - 30eV","exact_mass":414.27701,"inchikey":"WPVSVIXDXMNGGN-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.269,"smiles":"CC(C)CC(=O)C1=C(C(C(=O)C(=C1O)CC=C(C)C)(CC=C(C)C)CC=C(C)C)O","spectrum_id":"CCMSLIB00004683418","spectrum_index":110},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Lupulone - 10eV","exact_mass":414.27701,"inchikey":"WPVSVIXDXMNGGN-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.269,"smiles":"CC(C)CC(=O)C1=C(C(C(=O)C(=C1O)CC=C(C)C)(CC=C(C)C)CC=C(C)C)O","spectrum_id":"CCMSLIB00004683420","spectrum_index":111},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Boswellic acid, alpha - 20eV","exact_mass":456.360345,"inchikey":"BZXULBWGROURAF-IKNLXHIFSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.357,"smiles":"C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]1CC(CC2)(C)C)C","spectrum_id":"CCMSLIB00004683424","spectrum_index":112},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Boswellic acid, alpha - 30eV","exact_mass":456.360345,"inchikey":"BZXULBWGROURAF-IKNLXHIFSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.357,"smiles":"C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]1CC(CC2)(C)C)C","spectrum_id":"CCMSLIB00004683425","spectrum_index":113},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Rha-Gal-GluA-22-DDMP Soyasaponenol B (NMR) - 58.7829eV","exact_mass":1068.55051,"inchikey":"ONAAMCDHQSWPDU-NVXZJFILSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1067.54,"smiles":"C1[C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)([C@@H](CC(C1)(C)C)OC1OC(=C(C(=O)C1)O)C)C)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)CO)O)O)C(=O)O","spectrum_id":"CCMSLIB00004683426","spectrum_index":114},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Boswellic acid, alpha - 10eV","exact_mass":456.360345,"inchikey":"BZXULBWGROURAF-IKNLXHIFSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.357,"smiles":"C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]1CC(CC2)(C)C)C","spectrum_id":"CCMSLIB00004683427","spectrum_index":115},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Boswellic acid, alpha - 40eV","exact_mass":456.360345,"inchikey":"BZXULBWGROURAF-IKNLXHIFSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.357,"smiles":"C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]1CC(CC2)(C)C)C","spectrum_id":"CCMSLIB00004683428","spectrum_index":116},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-GluA Soyasapogenol B (NMR) - 42.5041eV","exact_mass":634.408083,"inchikey":"NARQRJFIZNOSJV-JMMGJMLBSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":633.401,"smiles":"C1[C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)([C@@H](CC(C1)(C)C)O)C)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O","spectrum_id":"CCMSLIB00004683429","spectrum_index":117},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Boswellic acid, alpha - 50eV","exact_mass":456.360345,"inchikey":"BZXULBWGROURAF-IKNLXHIFSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.359,"smiles":"C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]1CC(CC2)(C)C)C","spectrum_id":"CCMSLIB00004683430","spectrum_index":118},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glucuronyl-22-DDMP Soyasapogenol B (NMR) - 47.2306eV","exact_mass":760.439777,"inchikey":"JNXGVLRHSYOTKM-AIGSDHBOSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":759.434,"smiles":"C1[C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)([C@@H](CC(C1)(C)C)O[C@H]1OC(=C(C(=O)C1)O)C)C)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O","spectrum_id":"CCMSLIB00004683431","spectrum_index":119},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-(Glucosyl(1-2) glucuronyl)-22-DDMP Soyasapogenol B (NMR) - 53.3081eV","exact_mass":922.492601,"inchikey":"OJLGASCOGOIOJR-OASJHIPRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":921.495,"smiles":"C1[C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)([C@@H](CC(C1)(C)C)O[C@H]1OC(=C(C(=O)C1)O)C)C)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)C(=O)O","spectrum_id":"CCMSLIB00004683432","spectrum_index":120},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-(Galactosyl(1-2) glucuronyl)-22-DDMP Soyasapogenol B (NMR) - 53.3081eV","exact_mass":922.492601,"inchikey":"OJLGASCOGOIOJR-QRWYWMMOSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":921.492,"smiles":"C1[C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)([C@@H](CC(C1)(C)C)O[C@H]1OC(=C(C(=O)C1)O)C)C)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)O)C(=O)O","spectrum_id":"CCMSLIB00004683433","spectrum_index":121},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Gal(1-2)GluA Soyasapogenol B (NMR) - 48.5799eV","exact_mass":796.460907,"inchikey":"OKIHRVKXRCAJFQ-VAJUJSSWSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.448,"smiles":"C1[C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)([C@@H](CC(C1)(C)C)O)C)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)O)C(=O)O","spectrum_id":"CCMSLIB00004683434","spectrum_index":122},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glu(1-2)GluA Soyasapogenol B (NMR) - 48.5816eV","exact_mass":796.460907,"inchikey":"OKIHRVKXRCAJFQ-OFOMSTTESA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":795.457,"smiles":"C1[C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)([C@@H](CC(C1)(C)C)O)C)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)C(=O)O","spectrum_id":"CCMSLIB00004683435","spectrum_index":123},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid B b - 10eV","exact_mass":488.350175,"inchikey":"JXSVIVRDWWRQRT-VULHWTOISA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC(C(C5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683438","spectrum_index":124},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid B b - 20eV","exact_mass":488.350175,"inchikey":"JXSVIVRDWWRQRT-VULHWTOISA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC(C(C5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683439","spectrum_index":125},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid B b - 30eV","exact_mass":488.350175,"inchikey":"JXSVIVRDWWRQRT-VULHWTOISA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC(C(C5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683440","spectrum_index":126},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid B b - 40eV","exact_mass":488.350175,"inchikey":"JXSVIVRDWWRQRT-VULHWTOISA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC(C(C5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683441","spectrum_index":127},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid B b - 50eV","exact_mass":488.350175,"inchikey":"JXSVIVRDWWRQRT-VULHWTOISA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC(C(C5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683442","spectrum_index":128},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid C b - 10eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":null,"spectrum_id":"CCMSLIB00004683443","spectrum_index":129},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid C b - 40eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":null,"spectrum_id":"CCMSLIB00004683444","spectrum_index":130},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid C b - 20eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":null,"spectrum_id":"CCMSLIB00004683445","spectrum_index":131},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid C b - 30eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.344,"smiles":null,"spectrum_id":"CCMSLIB00004683446","spectrum_index":132},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid C b - 50eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":null,"spectrum_id":"CCMSLIB00004683447","spectrum_index":133},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid C a - 10eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":null,"spectrum_id":"CCMSLIB00004683448","spectrum_index":134},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid C a - 50eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":null,"spectrum_id":"CCMSLIB00004683450","spectrum_index":135},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Rha(1-2)Gal(1-2)GluA-Soyasaponenol E (NMR) - 53.9815eV","exact_mass":940.503166,"inchikey":"CROUPKILZUPLQA-SXXIBTJASA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":939.49,"smiles":"C1[C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(C(=O)CC(C1)(C)C)C)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)CO)O)O)C(=O)O","spectrum_id":"CCMSLIB00004683451","spectrum_index":136},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid C a - 30eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.344,"smiles":null,"spectrum_id":"CCMSLIB00004683452","spectrum_index":137},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid C a - 40eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":null,"spectrum_id":"CCMSLIB00004683453","spectrum_index":138},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid C a - 20eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":null,"spectrum_id":"CCMSLIB00004683454","spectrum_index":139},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid B a - 10eV","exact_mass":488.350175,"inchikey":"JXSVIVRDWWRQRT-UMCOSQRYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683455","spectrum_index":140},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Rha(1-2)Gal(1-2)GluA-Soyasaponenol E (NMR) - 52.5eV","exact_mass":940.503166,"inchikey":"CROUPKILZUPLQA-SXXIBTJASA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":939.496,"smiles":"C1[C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(C(=O)CC(C1)(C)C)C)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)CO)O)O)C(=O)O","spectrum_id":"CCMSLIB00004683456","spectrum_index":141},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid B a - 30eV","exact_mass":488.350175,"inchikey":"JXSVIVRDWWRQRT-UMCOSQRYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683457","spectrum_index":142},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid B a - 40eV","exact_mass":488.350175,"inchikey":"JXSVIVRDWWRQRT-UMCOSQRYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683458","spectrum_index":143},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Glu tricin (NMR) - 37.001eV","exact_mass":492.126776,"inchikey":"JGXFMIJHKASCIZ-LDBVRRDLSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":491.128,"smiles":"c1(cc(c2c(c1)oc(cc2=O)c1cc(c(c(c1)OC)O)OC)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO","spectrum_id":"CCMSLIB00004683459","spectrum_index":144},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid B a - 50eV","exact_mass":488.350175,"inchikey":"JXSVIVRDWWRQRT-UMCOSQRYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683460","spectrum_index":145},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glu(1-3)Glu-28-Glu Medicagenic acid (NMR) - 55.782eV","exact_mass":988.487909,"inchikey":"SMFAQKPDVMYQGA-KHJSPLTRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":987.477,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(C)C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)CO)O","spectrum_id":"CCMSLIB00004683463","spectrum_index":146},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid B a - 20eV","exact_mass":488.350175,"inchikey":"JXSVIVRDWWRQRT-UMCOSQRYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":487.343,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683464","spectrum_index":147},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Ursolic acid - 30eV","exact_mass":456.360345,"inchikey":"WCGUUGGRBIKTOS-GPOJBZKASA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.352,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683466","spectrum_index":148},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Ursolic acid - 20eV","exact_mass":456.360345,"inchikey":"WCGUUGGRBIKTOS-GPOJBZKASA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.352,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683468","spectrum_index":149},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glu(1,3)Glu-28-Glu Bayogenin (NMR) - 55.2568eV","exact_mass":974.508645,"inchikey":"MWAZVBLWMOGSFL-IRLZNWNJSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":973.499,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(C)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)CO)O","spectrum_id":"CCMSLIB00004683469","spectrum_index":150},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glu(1-3)Glu-28-Xyl(1-4)[Api(1-3)]Rha(1-2)Ara Zanhic acid (NMR) - 70.6357eV","exact_mass":1384.614686,"inchikey":"VCIIUHJUYQIBSQ-LOCYOFRUSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1383.6,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO)O)C)C)C)(C)C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)CO)O","spectrum_id":"CCMSLIB00004683472","spectrum_index":151},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glu-28-Glu Medicagenic acid (NMR) - 49.7041eV","exact_mass":826.435086,"inchikey":"LFWLYNKBYSIXAH-UFPRFPELSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":825.427,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(C)C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O","spectrum_id":"CCMSLIB00004683473","spectrum_index":152},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Ursolic acid - 50eV","exact_mass":456.360345,"inchikey":"WCGUUGGRBIKTOS-GPOJBZKASA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.351,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683474","spectrum_index":153},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glu-28-Glu Medicagenic acid (NMR) - 49.0056eV","exact_mass":826.435086,"inchikey":"LFWLYNKBYSIXAH-UFPRFPELSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":825.426,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(C)C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O","spectrum_id":"CCMSLIB00004683475","spectrum_index":154},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Ursolic acid - 10eV","exact_mass":456.360345,"inchikey":"WCGUUGGRBIKTOS-GPOJBZKASA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.352,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683476","spectrum_index":155},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-(3'-O-Malonyl)Glu(1-4)Glu-28-Glu Bayogenin (NMR) - 52.5eV","exact_mass":1060.509039,"inchikey":"RHZZPKBPURDXHT-PDXZTVMWSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1059.5,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(C)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC(=O)CC(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO)O","spectrum_id":"CCMSLIB00004683477","spectrum_index":156},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Ursolic acid - 40eV","exact_mass":456.360345,"inchikey":"WCGUUGGRBIKTOS-GPOJBZKASA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":455.352,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683478","spectrum_index":157},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-(3'-O-Malonyl)Glu(1-4)Glu-28-Glu Bayogenin (NMR) - 58.4827eV","exact_mass":1060.509039,"inchikey":"RHZZPKBPURDXHT-PDXZTVMWSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1059.5,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(C)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC(=O)CC(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO)O","spectrum_id":"CCMSLIB00004683479","spectrum_index":158},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-(4'O-Malonyl)Rha(1-2)Gal(1-2)GluA-Soyasaponenol B( NMR) - 57.2822eV","exact_mass":1028.51921,"inchikey":"UPFQKOYQKKVLFU-NJYNVVEYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1027.51,"smiles":"C1[C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)([C@@H](CC(C1)(C)C)O)C)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)OC(=O)CC(=O)O)C)O)O)CO)O)O)C(=O)O","spectrum_id":"CCMSLIB00004683481","spectrum_index":159},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Glu Chrysoeriol (NMR) - 35.3135eV","exact_mass":462.116212,"inchikey":"GAMYVSCDDLXAQW-MIUGBVLSSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":461.109,"smiles":"c1(cc(c2c(c1)oc(cc2=O)c1ccc(c(c1)OC)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO","spectrum_id":"CCMSLIB00004683483","spectrum_index":160},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Diosmetin - 20eV","exact_mass":300.063388,"inchikey":"MBNGWHIJMBWFHU-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.058,"smiles":"COc1ccc(cc1O)c2cc(=O)c3c(cc(cc3o2)O)O","spectrum_id":"CCMSLIB00004683490","spectrum_index":161},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Corosolic acid - 20eV","exact_mass":472.35526,"inchikey":"HFGSQOYIOKBQOW-ZSDYHTTISA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.353,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683494","spectrum_index":162},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Corosolic acid - 10eV","exact_mass":472.35526,"inchikey":"HFGSQOYIOKBQOW-ZSDYHTTISA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.352,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683495","spectrum_index":163},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Corosolic acid - 40eV","exact_mass":472.35526,"inchikey":"HFGSQOYIOKBQOW-ZSDYHTTISA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.352,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683496","spectrum_index":164},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Corosolic acid - 50eV","exact_mass":472.35526,"inchikey":"HFGSQOYIOKBQOW-ZSDYHTTISA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.351,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683498","spectrum_index":165},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Corosolic acid - 30eV","exact_mass":472.35526,"inchikey":"HFGSQOYIOKBQOW-ZSDYHTTISA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.353,"smiles":"C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O","spectrum_id":"CCMSLIB00004683500","spectrum_index":166},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid A b - 20eV","exact_mass":472.35526,"inchikey":"HFGSQOYIOKBQOW-RFMFWNHYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.348,"smiles":"C[C@H]1[C@@H]([C@@H]2[C@@](CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)C)O)O)C)C)C)(CC1)C(=O)O)C","spectrum_id":"CCMSLIB00004683502","spectrum_index":167},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid A b - 10eV","exact_mass":472.35526,"inchikey":"HFGSQOYIOKBQOW-RFMFWNHYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.348,"smiles":"C[C@H]1[C@@H]([C@@H]2[C@@](CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)C)O)O)C)C)C)(CC1)C(=O)O)C","spectrum_id":"CCMSLIB00004683504","spectrum_index":168},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid A b - 50eV","exact_mass":472.35526,"inchikey":"HFGSQOYIOKBQOW-RFMFWNHYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.348,"smiles":"C[C@H]1[C@@H]([C@@H]2[C@@](CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)C)O)O)C)C)C)(CC1)C(=O)O)C","spectrum_id":"CCMSLIB00004683507","spectrum_index":169},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-GlcA-28-Glc oleanolic acid (NMR) - 48.5045eV","exact_mass":794.445257,"inchikey":"YOSRLTNUOCHBEA-XFBOPQPKSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":793.452,"smiles":"C1[C@@H](C(C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O","spectrum_id":"CCMSLIB00004683509","spectrum_index":170},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glu-3,4',7-trihydroxyisoflavanone (NMR) - 33.7385eV","exact_mass":434.121297,"inchikey":"BTODFHHNMFOZHK-FEUJFKKFSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.115,"smiles":"c1(ccc2c(c1)OCC(C2=O)(c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683510","spectrum_index":171},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-((3'-Malonyl)Xyl)-28-Glu Bayogenin (NMR) - 51.2807eV","exact_mass":868.445651,"inchikey":"GCLVKIXOISSSOM-HUSOEYKKSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":867.438,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(C)CO)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)OC(=O)CC(=O)O)O)O","spectrum_id":"CCMSLIB00004683511","spectrum_index":172},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-((3'-Malonyl)Xyl)-28-Glu Polygalagenin (NMR) - 51.2032eV","exact_mass":866.430001,"inchikey":"SNGYMHPNQVEJCO-HUSOEYKKSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":865.425,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(C)C=O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)OC(=O)CC(=O)O)O)O","spectrum_id":"CCMSLIB00004683512","spectrum_index":173},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid A b - 30eV","exact_mass":472.35526,"inchikey":"HFGSQOYIOKBQOW-RFMFWNHYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.348,"smiles":"C[C@H]1[C@@H]([C@@H]2[C@@](CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)C)O)O)C)C)C)(CC1)C(=O)O)C","spectrum_id":"CCMSLIB00004683513","spectrum_index":174},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-((3'-Malonyl)Xyl)-28-Glu-2-hydroxy oleanolic acid (NMR) - 50.6807eV","exact_mass":852.450736,"inchikey":"SEQLVCABILROHV-BAEYDANMSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":851.443,"smiles":"[C@H]1([C@@H](C(C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)OC(=O)CC(=O)O)O)O","spectrum_id":"CCMSLIB00004683514","spectrum_index":175},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid A b - 40eV","exact_mass":472.35526,"inchikey":"HFGSQOYIOKBQOW-RFMFWNHYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.348,"smiles":"C[C@H]1[C@@H]([C@@H]2[C@@](CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)C)O)O)C)C)C)(CC1)C(=O)O)C","spectrum_id":"CCMSLIB00004683515","spectrum_index":176},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid A a - 10eV","exact_mass":472.35526,"inchikey":"HFGSQOYIOKBQOW-RFMFWNHYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.348,"smiles":"C[C@H]1[C@@H]([C@@H]2[C@@](CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)C)O)O)C)C)C)(CC1)C(=O)O)C","spectrum_id":"CCMSLIB00004683516","spectrum_index":177},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glu(1-3)Glu-28-Xyl(1-4)Rha(1-2)Ara zanhic acid (NMR) - 65.6843eV","exact_mass":1252.572427,"inchikey":"GXDXOYYVPOQAPN-NVEWTADNSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1251.57,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)C)C)C)(C)C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)CO)O","spectrum_id":"CCMSLIB00004683517","spectrum_index":178},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-(Glu(1-3)Glu)-28-(Rha(4-O-acetyl)(1-2)Ara) Zanhic acid (NMR) - 83.0788eV","exact_mass":1162.540733,"inchikey":"BFDLDIKIPJXHON-QLFUKLNHSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1161.54,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)C)O)O)C)C)C)(C)C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)CO)O","spectrum_id":"CCMSLIB00004683519","spectrum_index":179},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid A a - 20eV","exact_mass":472.35526,"inchikey":"HFGSQOYIOKBQOW-RFMFWNHYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.348,"smiles":"C[C@H]1[C@@H]([C@@H]2[C@@](CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)C)O)O)C)C)C)(CC1)C(=O)O)C","spectrum_id":"CCMSLIB00004683520","spectrum_index":180},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid A a - 50eV","exact_mass":472.35526,"inchikey":"HFGSQOYIOKBQOW-RFMFWNHYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.348,"smiles":"C[C@H]1[C@@H]([C@@H]2[C@@](CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)C)O)O)C)C)C)(CC1)C(=O)O)C","spectrum_id":"CCMSLIB00004683521","spectrum_index":181},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid A a - 30eV","exact_mass":472.35526,"inchikey":"HFGSQOYIOKBQOW-RFMFWNHYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.348,"smiles":"C[C@H]1[C@@H]([C@@H]2[C@@](CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)C)O)O)C)C)C)(CC1)C(=O)O)C","spectrum_id":"CCMSLIB00004683523","spectrum_index":182},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4'-O-(GlcA(1-2)GlcA) Apigenin (NMR) - 42.0426eV","exact_mass":622.116999,"inchikey":"NZZPSBRODDDVIU-DBFWEQBMSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":621.11,"smiles":"c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)O)C(=O)O)O)O","spectrum_id":"CCMSLIB00004683524","spectrum_index":183},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pygenic acid A a - 40eV","exact_mass":472.35526,"inchikey":"HFGSQOYIOKBQOW-RFMFWNHYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.348,"smiles":"C[C@H]1[C@@H]([C@@H]2[C@@](CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)C)O)O)C)C)C)(CC1)C(=O)O)C","spectrum_id":"CCMSLIB00004683525","spectrum_index":184},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5-Glc tricin (NMR) - 37.0017eV","exact_mass":492.126776,"inchikey":"FLSOTPIEFVBPBU-LDBVRRDLSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":491.121,"smiles":"c1(cc(c2c(c1)oc(cc2=O)c1cc(c(c(c1)OC)O)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O","spectrum_id":"CCMSLIB00004683526","spectrum_index":185},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-GlcA tricin (NMR) - 37.692eV","exact_mass":506.106041,"inchikey":"HJWFFBNADKDQPV-KHYDEXNFSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":505.099,"smiles":"c1(cc(c2c(c1)oc(cc2=O)c1cc(c(c(c1)OC)O)OC)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O","spectrum_id":"CCMSLIB00004683529","spectrum_index":186},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glc(1-2)Glc(1-2)Glc-28-Api(1-3)Xyl(1-4)[Api(1-3)]Rha(1-2)Ara Zanhic acid (NMR) - 105.924eV","exact_mass":1678.709768,"inchikey":"VNHLGJLOJBJFGV-OMOYKTNYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1677.7,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O[C@@H]1OC[C@@]([C@H]1O)(CO)O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO)O)C)C)C)(C)C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)CO)O)O)CO)O","spectrum_id":"CCMSLIB00004683532","spectrum_index":187},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-((3'-Malonyl)GlcA)-28-Xyl(1-4)Rha(1-2)Ara Medicagenic acid (NMR) - 62.7562eV","exact_mass":1174.504347,"inchikey":"IPLMQKWUDWDMPO-USYHJYQFSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":1173.49,"smiles":"[C@H]1([C@@H]([C@@](C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)C)C)C)(C)C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC(=O)CC(=O)O)O)C(=O)O)O","spectrum_id":"CCMSLIB00004683533","spectrum_index":188},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4'-O-GlcA-7-O-GlcA Apigenin (NMR) - 42.0417eV","exact_mass":622.116999,"inchikey":"QBUOTXXACHDTNW-MWBUVXCNSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":621.109,"smiles":"c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O","spectrum_id":"CCMSLIB00004683534","spectrum_index":189},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isoxanthohumol - 10eV","exact_mass":354.146724,"inchikey":"YKGCBLWILMDSAV-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.144,"smiles":"CC(=CCc1c(cc(c2c1OC(CC2=O)c3ccc(cc3)O)OC)O)C","spectrum_id":"CCMSLIB00004683536","spectrum_index":190},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isoxanthohumol - 20eV","exact_mass":354.146724,"inchikey":"YKGCBLWILMDSAV-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.143,"smiles":"CC(=CCc1c(cc(c2c1OC(CC2=O)c3ccc(cc3)O)OC)O)C","spectrum_id":"CCMSLIB00004683538","spectrum_index":191},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Kaempferide - 20eV","exact_mass":300.063388,"inchikey":"SQFSKOYWJBQGKQ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.059,"smiles":"COc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)O","spectrum_id":"CCMSLIB00004683543","spectrum_index":192},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Kaempferide - 30eV","exact_mass":300.063388,"inchikey":"SQFSKOYWJBQGKQ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.059,"smiles":"COc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)O","spectrum_id":"CCMSLIB00004683545","spectrum_index":193},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Kaempferide - 10eV","exact_mass":300.063388,"inchikey":"SQFSKOYWJBQGKQ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.059,"smiles":"COc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)O","spectrum_id":"CCMSLIB00004683546","spectrum_index":194},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isorhoifolin - 20eV","exact_mass":578.163556,"inchikey":"FKIYLTVJPDLUDL-SLNHTJRHSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.16,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004683548","spectrum_index":195},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Tiliroside - 20eV","exact_mass":594.137341,"inchikey":"DVGGLGXQSFURLP-VWMSDXGPSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.135,"smiles":"c1cc(ccc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(cc5)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004683553","spectrum_index":196},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Tiliroside - 40eV","exact_mass":594.137341,"inchikey":"DVGGLGXQSFURLP-VWMSDXGPSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.135,"smiles":"c1cc(ccc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(cc5)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004683555","spectrum_index":197},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Luteolin-7,3'-di-O-glucoside - 20eV","exact_mass":610.153385,"inchikey":"BISZYPSIZGKOFA-ODYYMYHNSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.151,"smiles":"C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683556","spectrum_index":198},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Luteolin-7,3'-di-O-glucoside - 40eV","exact_mass":610.153385,"inchikey":"BISZYPSIZGKOFA-ODYYMYHNSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.14,"smiles":"C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683557","spectrum_index":199},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Luteolin-7,3'-di-O-glucoside - 60eV","exact_mass":610.153385,"inchikey":"BISZYPSIZGKOFA-ODYYMYHNSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.14,"smiles":"C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683558","spectrum_index":200},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Luteolin-7,3'-di-O-glucoside - 50eV","exact_mass":610.153385,"inchikey":"BISZYPSIZGKOFA-ODYYMYHNSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.14,"smiles":"C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683559","spectrum_index":201},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hederagenin - 40eV","exact_mass":472.35526,"inchikey":"PGOYMURMZNDHNS-MYPRUECHSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":471.357,"smiles":"C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O","spectrum_id":"CCMSLIB00004683560","spectrum_index":202},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Hydroxy-4'-methoxyflavone - 30eV","exact_mass":268.073559,"inchikey":"SQVXWIUVAILQRH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.066,"smiles":"COc1ccc(cc1)c2cc(=O)c3ccc(cc3o2)O","spectrum_id":"CCMSLIB00004683561","spectrum_index":203},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Hydroxy-4'-methoxyflavone - 40eV","exact_mass":268.073559,"inchikey":"SQVXWIUVAILQRH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.07,"smiles":"COc1ccc(cc1)c2cc(=O)c3ccc(cc3o2)O","spectrum_id":"CCMSLIB00004683563","spectrum_index":204},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Hydroxy-4'-methoxyflavone - 20eV","exact_mass":268.073559,"inchikey":"SQVXWIUVAILQRH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.067,"smiles":"COc1ccc(cc1)c2cc(=O)c3ccc(cc3o2)O","spectrum_id":"CCMSLIB00004683564","spectrum_index":205},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Baicalein - 40eV","exact_mass":270.052823,"inchikey":"FXNFHKRTJBSTCS-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.045,"smiles":"c1ccc(cc1)c2cc(=O)c3c(o2)cc(c(c3O)O)O","spectrum_id":"CCMSLIB00004683565","spectrum_index":206},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Baicalein - 20eV","exact_mass":270.052823,"inchikey":"FXNFHKRTJBSTCS-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.046,"smiles":"c1ccc(cc1)c2cc(=O)c3c(o2)cc(c(c3O)O)O","spectrum_id":"CCMSLIB00004683566","spectrum_index":207},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Coumestrol - 20eV","exact_mass":268.037173,"inchikey":"ZZIALNLLNHEQPJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.046,"smiles":"c1cc2c(cc1O)oc3c2c(=O)oc4c3ccc(c4)O","spectrum_id":"CCMSLIB00004683567","spectrum_index":208},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Coumestrol - 10eV","exact_mass":268.037173,"inchikey":"ZZIALNLLNHEQPJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.046,"smiles":"c1cc2c(cc1O)oc3c2c(=O)oc4c3ccc(c4)O","spectrum_id":"CCMSLIB00004683568","spectrum_index":209},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Coumestrol - 30eV","exact_mass":268.037173,"inchikey":"ZZIALNLLNHEQPJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.045,"smiles":"c1cc2c(cc1O)oc3c2c(=O)oc4c3ccc(c4)O","spectrum_id":"CCMSLIB00004683569","spectrum_index":210},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Diosmin - 20eV","exact_mass":608.17412,"inchikey":"GZSOSUNBTXMUFQ-YFAPSIMESA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":607.166,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(=O)cc(oc4c3)c5ccc(c(c5)O)OC)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004683572","spectrum_index":211},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isoliquiritigenin - 20eV","exact_mass":256.073559,"inchikey":"DXDRHHKMWQZJHT-FPYGCLRLSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.067,"smiles":"c1cc(ccc1/C=C/C(=O)c2ccc(cc2O)O)O","spectrum_id":"CCMSLIB00004683574","spectrum_index":212},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Luteolin-4'-O-glucoside - 20eV","exact_mass":448.100561,"inchikey":"UHNXUSWGOJMEFO-QNDFHXLGSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.094,"smiles":"c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O","spectrum_id":"CCMSLIB00004683575","spectrum_index":213},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Protocatechuic aldehyde - 10eV","exact_mass":138.031694,"inchikey":"IBGBGRVKPALMCQ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":137.024,"smiles":"c1cc(c(cc1C=O)O)O","spectrum_id":"CCMSLIB00004683576","spectrum_index":214},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Protocatechuic aldehyde - 20eV","exact_mass":138.031694,"inchikey":"IBGBGRVKPALMCQ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":137.024,"smiles":"c1cc(c(cc1C=O)O)O","spectrum_id":"CCMSLIB00004683577","spectrum_index":215},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Rhoifolin - 40eV","exact_mass":578.163556,"inchikey":"RPMNUQRUHXIGHK-PYXJVEIZSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.155,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(=O)cc(oc4c3)c5ccc(cc5)O)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683578","spectrum_index":216},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Scopoletin - 10eV","exact_mass":192.042259,"inchikey":"RODXRVNMMDRFIK-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":191.034,"smiles":"COc1cc2ccc(=O)oc2cc1O","spectrum_id":"CCMSLIB00004683580","spectrum_index":217},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Scopoletin - 20eV","exact_mass":192.042259,"inchikey":"RODXRVNMMDRFIK-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":191.038,"smiles":"COc1cc2ccc(=O)oc2cc1O","spectrum_id":"CCMSLIB00004683581","spectrum_index":218},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Tricetin - 20eV","exact_mass":302.042653,"inchikey":"ARSRJFRKVXALTF-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.041,"smiles":"c1c(cc(c(c1O)O)O)c2cc(=O)c3c(cc(cc3o2)O)O","spectrum_id":"CCMSLIB00004683583","spectrum_index":219},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Tricetin - 40eV","exact_mass":302.042653,"inchikey":"ARSRJFRKVXALTF-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.04,"smiles":"c1c(cc(c(c1O)O)O)c2cc(=O)c3c(cc(cc3o2)O)O","spectrum_id":"CCMSLIB00004683584","spectrum_index":220},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Kaempferol-3-O-rutinoside - 40eV","exact_mass":594.15847,"inchikey":"RTATXGUCZHCSNG-QHWHWDPRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.152,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(cc5)O)O)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004683585","spectrum_index":221},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6,7,4'-Trihydroxyisoflavone - 40eV","exact_mass":270.052823,"inchikey":"GYLUFQJZYAJQDI-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.045,"smiles":"c1cc(ccc1c2coc3cc(c(cc3c2=O)O)O)O","spectrum_id":"CCMSLIB00004683589","spectrum_index":222},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6,8-Dimethyl-4-hydroxycoumarin - 10eV","exact_mass":190.062994,"inchikey":"HVHIQQVTLCUBKA-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":189.056,"smiles":"Cc1cc(c2c(c1)c(cc(=O)o2)O)C","spectrum_id":"CCMSLIB00004683591","spectrum_index":223},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6,8-Dimethyl-4-hydroxycoumarin - 20eV","exact_mass":190.062994,"inchikey":"HVHIQQVTLCUBKA-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":189.056,"smiles":"Cc1cc(c2c(c1)c(cc(=O)o2)O)C","spectrum_id":"CCMSLIB00004683592","spectrum_index":224},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6-Methoxyluteolin - 20eV","exact_mass":316.058303,"inchikey":"FHHSEFRSDKWJKJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.051,"smiles":"COc1c(cc2c(c1O)c(=O)cc(o2)c3ccc(c(c3)O)O)O","spectrum_id":"CCMSLIB00004683595","spectrum_index":225},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7,3',4',5'-Tetrahydroxyflavone - 30eV","exact_mass":286.047738,"inchikey":"CCCIGFPBADVTFE-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.041,"smiles":"c1cc2c(=O)cc(oc2cc1O)c3cc(c(c(c3)O)O)O","spectrum_id":"CCMSLIB00004683597","spectrum_index":226},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7,4'-Dimethoxy-3-hydroxyflavone - 10eV","exact_mass":298.084124,"inchikey":"IFHXSMSQHPVVSF-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.08,"smiles":"COc1ccc(cc1)c2c(c(=O)c3ccc(cc3o2)OC)O","spectrum_id":"CCMSLIB00004683598","spectrum_index":227},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Vitexin - 60eV","exact_mass":432.105647,"inchikey":"SGEWCQFRYRRZDC-VPRICQMDSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.1,"smiles":"c1cc(ccc1c2cc(=O)c3c(cc(c(c3o2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004683603","spectrum_index":228},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Vitexin - 70eV","exact_mass":432.105647,"inchikey":"SGEWCQFRYRRZDC-VPRICQMDSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.1,"smiles":"c1cc(ccc1c2cc(=O)c3c(cc(c(c3o2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004683604","spectrum_index":229},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Vitexin - 20eV","exact_mass":432.105647,"inchikey":"SGEWCQFRYRRZDC-VPRICQMDSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.097,"smiles":"c1cc(ccc1c2cc(=O)c3c(cc(c(c3o2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004683605","spectrum_index":230},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Vitexin - 40eV","exact_mass":432.105647,"inchikey":"SGEWCQFRYRRZDC-VPRICQMDSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.1,"smiles":"c1cc(ccc1c2cc(=O)c3c(cc(c(c3o2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004683606","spectrum_index":231},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Vitexin - 50eV","exact_mass":432.105647,"inchikey":"SGEWCQFRYRRZDC-VPRICQMDSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.1,"smiles":"c1cc(ccc1c2cc(=O)c3c(cc(c(c3o2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004683607","spectrum_index":232},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Spiraeoside - 20eV","exact_mass":464.095476,"inchikey":"OIUBYZLTFSLSBY-HMGRVEAOSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.089,"smiles":"c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O","spectrum_id":"CCMSLIB00004683608","spectrum_index":233},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Spiraeoside - 40eV","exact_mass":464.095476,"inchikey":"OIUBYZLTFSLSBY-HMGRVEAOSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.089,"smiles":"c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O","spectrum_id":"CCMSLIB00004683609","spectrum_index":234},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Spiraeoside - 50eV","exact_mass":464.095476,"inchikey":"OIUBYZLTFSLSBY-HMGRVEAOSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.1,"smiles":"c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O","spectrum_id":"CCMSLIB00004683610","spectrum_index":235},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Spiraeoside - 60eV","exact_mass":464.095476,"inchikey":"OIUBYZLTFSLSBY-HMGRVEAOSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.1,"smiles":"c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O","spectrum_id":"CCMSLIB00004683611","spectrum_index":236},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Sissotrin - 20eV","exact_mass":446.121297,"inchikey":"LFEUICHQZGNOHD-RECXWPGBSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.12,"smiles":"COc1ccc(cc1)c2coc3cc(cc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O","spectrum_id":"CCMSLIB00004683614","spectrum_index":237},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Sissotrin - 10eV","exact_mass":446.121297,"inchikey":"LFEUICHQZGNOHD-RECXWPGBSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.119,"smiles":"COc1ccc(cc1)c2coc3cc(cc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O","spectrum_id":"CCMSLIB00004683615","spectrum_index":238},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Sissotrin - 50eV","exact_mass":446.121297,"inchikey":"LFEUICHQZGNOHD-RECXWPGBSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.12,"smiles":"COc1ccc(cc1)c2coc3cc(cc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O","spectrum_id":"CCMSLIB00004683618","spectrum_index":239},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Sissotrin - 30eV","exact_mass":446.121297,"inchikey":"LFEUICHQZGNOHD-RECXWPGBSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.12,"smiles":"COc1ccc(cc1)c2coc3cc(cc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O","spectrum_id":"CCMSLIB00004683619","spectrum_index":240},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Sissotrin - 40eV","exact_mass":446.121297,"inchikey":"LFEUICHQZGNOHD-RECXWPGBSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.12,"smiles":"COc1ccc(cc1)c2coc3cc(cc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O","spectrum_id":"CCMSLIB00004683620","spectrum_index":241},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Puerarin - 30eV","exact_mass":416.110732,"inchikey":"HKEAFJYKMMKDOR-VPRICQMDSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.102,"smiles":"c1cc(ccc1c2coc3c(c2=O)ccc(c3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683628","spectrum_index":242},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Puerarin - 20eV","exact_mass":416.110732,"inchikey":"HKEAFJYKMMKDOR-VPRICQMDSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.103,"smiles":"c1cc(ccc1c2coc3c(c2=O)ccc(c3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683630","spectrum_index":243},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Chrysoeriol - 20eV","exact_mass":300.063388,"inchikey":"SCZVLDHREVKTSH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.055,"smiles":"COc1cc(ccc1O)c2cc(=O)c3c(cc(cc3o2)O)O","spectrum_id":"CCMSLIB00004683633","spectrum_index":244},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Demethyl medicarpin - 20eV","exact_mass":256.073559,"inchikey":"ODMIEGVTNZNSLD-WFASDCNBSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.066,"smiles":"c1cc2c(cc1O)O[C@@H]3[C@H]2COc4c3ccc(c4)O","spectrum_id":"CCMSLIB00004683636","spectrum_index":245},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Fisetin - 20eV","exact_mass":286.047738,"inchikey":"XHEFDIBZLJXQHF-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.035,"smiles":"c1cc(c(cc1c2c(c(=O)c3ccc(cc3o2)O)O)O)O","spectrum_id":"CCMSLIB00004683639","spectrum_index":246},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Formononetin - 30eV","exact_mass":268.073559,"inchikey":"HKQYGTCOTHHOMP-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.066,"smiles":"COc1ccc(cc1)c2coc3cc(ccc3c2=O)O","spectrum_id":"CCMSLIB00004683642","spectrum_index":247},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Formononetin - 10eV","exact_mass":268.073559,"inchikey":"HKQYGTCOTHHOMP-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.067,"smiles":"COc1ccc(cc1)c2coc3cc(ccc3c2=O)O","spectrum_id":"CCMSLIB00004683643","spectrum_index":248},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Formononetin - 20eV","exact_mass":268.073559,"inchikey":"HKQYGTCOTHHOMP-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.067,"smiles":"COc1ccc(cc1)c2coc3cc(ccc3c2=O)O","spectrum_id":"CCMSLIB00004683645","spectrum_index":249},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Kaempferol - 40eV","exact_mass":286.047738,"inchikey":"IYRMWMYZSQPJKC-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.042,"smiles":"c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O","spectrum_id":"CCMSLIB00004683646","spectrum_index":250},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Liquiritigenin - 20eV","exact_mass":256.073559,"inchikey":"FURUXTVZLHCCNA-AWEZNQCLSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.068,"smiles":"c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O","spectrum_id":"CCMSLIB00004683649","spectrum_index":251},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Naringenin-7-O-glucoside - 40eV","exact_mass":434.121297,"inchikey":"DLIKSSGEMUFQOK-SFTVRKLSSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":433.1,"smiles":"c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683651","spectrum_index":252},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Naringin - 40eV","exact_mass":580.179206,"inchikey":"DFPMSGMNTNDNHN-ZPHOTFPESA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.174,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(cc5)O)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683659","spectrum_index":253},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Naringin - 10eV","exact_mass":580.179206,"inchikey":"DFPMSGMNTNDNHN-ZPHOTFPESA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.175,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(cc5)O)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683660","spectrum_index":254},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Naringin - 20eV","exact_mass":580.179206,"inchikey":"DFPMSGMNTNDNHN-ZPHOTFPESA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.175,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(cc5)O)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683661","spectrum_index":255},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Naringin - 30eV","exact_mass":580.179206,"inchikey":"DFPMSGMNTNDNHN-ZPHOTFPESA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.175,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(cc5)O)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683662","spectrum_index":256},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Naringin - 50eV","exact_mass":580.179206,"inchikey":"DFPMSGMNTNDNHN-ZPHOTFPESA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":579.172,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(cc5)O)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683663","spectrum_index":257},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Quercetin - 20eV","exact_mass":302.042653,"inchikey":"REFJWTPEDVJJIY-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.035,"smiles":"c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O","spectrum_id":"CCMSLIB00004683665","spectrum_index":258},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Quercetin - 10eV","exact_mass":302.042653,"inchikey":"REFJWTPEDVJJIY-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.036,"smiles":"c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O","spectrum_id":"CCMSLIB00004683671","spectrum_index":259},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Umbelliferone - 20eV","exact_mass":162.031694,"inchikey":"ORHBXUUXSCNDEV-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":161.025,"smiles":"c1cc(cc2c1ccc(=O)o2)O","spectrum_id":"CCMSLIB00004683673","spectrum_index":260},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Umbelliferone - 30eV","exact_mass":162.031694,"inchikey":"ORHBXUUXSCNDEV-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":161.024,"smiles":"c1cc(cc2c1ccc(=O)o2)O","spectrum_id":"CCMSLIB00004683674","spectrum_index":261},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Rha-Ara-GlcUA-Soyasapogenol B - 10eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":911.459,"smiles":null,"spectrum_id":"CCMSLIB00004683676","spectrum_index":262},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Rha-Ara-GlcUA-Soyasapogenol B - 20eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":911.459,"smiles":null,"spectrum_id":"CCMSLIB00004683677","spectrum_index":263},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Rha-Ara-GlcUA-Soyasapogenol B - 30eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":911.459,"smiles":null,"spectrum_id":"CCMSLIB00004683678","spectrum_index":264},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Rha-Ara-GlcUA-Soyasapogenol B - 40eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":911.459,"smiles":null,"spectrum_id":"CCMSLIB00004683679","spectrum_index":265},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Rha-Ara-GlcUA-Soyasapogenol B - 50eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":911.459,"smiles":null,"spectrum_id":"CCMSLIB00004683680","spectrum_index":266},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glc-Gal-GlcUA-Soyasapogenol B - 40eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":957.525,"smiles":null,"spectrum_id":"CCMSLIB00004683681","spectrum_index":267},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glc-Gal-GlcUA-Soyasapogenol B - 20eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":957.526,"smiles":null,"spectrum_id":"CCMSLIB00004683682","spectrum_index":268},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glc-Gal-GlcUA-Soyasapogenol B - 10eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":957.521,"smiles":null,"spectrum_id":"CCMSLIB00004683683","spectrum_index":269},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glc-Gal-GlcUA-Soyasapogenol B - 50eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":957.526,"smiles":null,"spectrum_id":"CCMSLIB00004683684","spectrum_index":270},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Glc-Gal-GlcUA-Soyasapogenol B - 30eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":957.528,"smiles":null,"spectrum_id":"CCMSLIB00004683685","spectrum_index":271},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Hydroxy-2'-methoxyflavone - 10eV","exact_mass":268.073559,"inchikey":"PFEQKIBOPJQNBI-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.062,"smiles":"COc1ccccc1c2cc(=O)c3ccc(cc3o2)O","spectrum_id":"CCMSLIB00004683686","spectrum_index":272},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Hydroxy-2'-methoxyflavone - 30eV","exact_mass":268.073559,"inchikey":"PFEQKIBOPJQNBI-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.061,"smiles":"COc1ccccc1c2cc(=O)c3ccc(cc3o2)O","spectrum_id":"CCMSLIB00004683687","spectrum_index":273},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Hydroxy-2'-methoxyflavone - 20eV","exact_mass":268.073559,"inchikey":"PFEQKIBOPJQNBI-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.062,"smiles":"COc1ccccc1c2cc(=O)c3ccc(cc3o2)O","spectrum_id":"CCMSLIB00004683688","spectrum_index":274},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Hydroxy-2'-methoxyflavone - 50eV","exact_mass":268.073559,"inchikey":"PFEQKIBOPJQNBI-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.07,"smiles":"COc1ccccc1c2cc(=O)c3ccc(cc3o2)O","spectrum_id":"CCMSLIB00004683689","spectrum_index":275},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Hydroxy-2'-methoxyflavone - 40eV","exact_mass":268.073559,"inchikey":"PFEQKIBOPJQNBI-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.061,"smiles":"COc1ccccc1c2cc(=O)c3ccc(cc3o2)O","spectrum_id":"CCMSLIB00004683690","spectrum_index":276},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Epicatechin - 20eV","exact_mass":290.079038,"inchikey":"PFTAWBLQPZVEMU-UKRRQHHQSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.072,"smiles":"c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O","spectrum_id":"CCMSLIB00004683691","spectrum_index":277},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Epicatechin - 10eV","exact_mass":290.079038,"inchikey":"PFTAWBLQPZVEMU-UKRRQHHQSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":289.072,"smiles":"c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O","spectrum_id":"CCMSLIB00004683692","spectrum_index":278},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,7,3',4',5'-Pentahydroxyflavone (Robinetin) - 10eV","exact_mass":302.042653,"inchikey":"SOEDEYVDCDYMMH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.037,"smiles":"c1cc2c(cc1O)oc(c(c2=O)O)c3cc(c(c(c3)O)O)O","spectrum_id":"CCMSLIB00004683693","spectrum_index":279},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,7,3',4',5'-Pentahydroxyflavone (Robinetin) - 40eV","exact_mass":302.042653,"inchikey":"SOEDEYVDCDYMMH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.03,"smiles":"c1cc2c(cc1O)oc(c(c2=O)O)c3cc(c(c(c3)O)O)O","spectrum_id":"CCMSLIB00004683694","spectrum_index":280},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,7,3',4',5'-Pentahydroxyflavone (Robinetin) - 20eV","exact_mass":302.042653,"inchikey":"SOEDEYVDCDYMMH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.037,"smiles":"c1cc2c(cc1O)oc(c(c2=O)O)c3cc(c(c(c3)O)O)O","spectrum_id":"CCMSLIB00004683695","spectrum_index":281},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,7,3',4',5'-Pentahydroxyflavone (Robinetin) - 30eV","exact_mass":302.042653,"inchikey":"SOEDEYVDCDYMMH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.03,"smiles":"c1cc2c(cc1O)oc(c(c2=O)O)c3cc(c(c(c3)O)O)O","spectrum_id":"CCMSLIB00004683696","spectrum_index":282},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,6,3',4'-Tetrahydroxyflavone - 40eV","exact_mass":286.047738,"inchikey":"BXPBSBBFPNTFFT-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.04,"smiles":"c1cc(c(cc1c2c(c(=O)c3cc(ccc3o2)O)O)O)O","spectrum_id":"CCMSLIB00004683707","spectrum_index":283},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,6,3',4'-Tetrahydroxyflavone - 10eV","exact_mass":286.047738,"inchikey":"BXPBSBBFPNTFFT-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.041,"smiles":"c1cc(c(cc1c2c(c(=O)c3cc(ccc3o2)O)O)O)O","spectrum_id":"CCMSLIB00004683708","spectrum_index":284},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,6,3',4'-Tetrahydroxyflavone - 20eV","exact_mass":286.047738,"inchikey":"BXPBSBBFPNTFFT-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.041,"smiles":"c1cc(c(cc1c2c(c(=O)c3cc(ccc3o2)O)O)O)O","spectrum_id":"CCMSLIB00004683709","spectrum_index":285},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,6,3',4'-Tetrahydroxyflavone - 30eV","exact_mass":286.047738,"inchikey":"BXPBSBBFPNTFFT-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.039,"smiles":"c1cc(c(cc1c2c(c(=O)c3cc(ccc3o2)O)O)O)O","spectrum_id":"CCMSLIB00004683710","spectrum_index":286},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,6,2',3'-Tetrahydroxyflavone - 10eV","exact_mass":286.047738,"inchikey":"KQRPHHDERPYSPX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.041,"smiles":"c1cc(c(c(c1)O)O)c2c(c(=O)c3cc(ccc3o2)O)O","spectrum_id":"CCMSLIB00004683711","spectrum_index":287},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,6,2',3'-Tetrahydroxyflavone - 20eV","exact_mass":286.047738,"inchikey":"KQRPHHDERPYSPX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.041,"smiles":"c1cc(c(c(c1)O)O)c2c(c(=O)c3cc(ccc3o2)O)O","spectrum_id":"CCMSLIB00004683712","spectrum_index":288},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,6,2',3'-Tetrahydroxyflavone - 30eV","exact_mass":286.047738,"inchikey":"KQRPHHDERPYSPX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.04,"smiles":"c1cc(c(c(c1)O)O)c2c(c(=O)c3cc(ccc3o2)O)O","spectrum_id":"CCMSLIB00004683713","spectrum_index":289},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,6,2',3'-Tetrahydroxyflavone - 40eV","exact_mass":286.047738,"inchikey":"KQRPHHDERPYSPX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.04,"smiles":"c1cc(c(c(c1)O)O)c2c(c(=O)c3cc(ccc3o2)O)O","spectrum_id":"CCMSLIB00004683714","spectrum_index":290},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isobavachin - 10eV","exact_mass":324.136159,"inchikey":"KYFBXCHUXFKMGQ-IBGZPJMESA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.13,"smiles":"CC(=CCc1c(ccc2c1O[C@@H](CC2=O)c3ccc(cc3)O)O)C","spectrum_id":"CCMSLIB00004683715","spectrum_index":291},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isobavachin - 30eV","exact_mass":324.136159,"inchikey":"KYFBXCHUXFKMGQ-IBGZPJMESA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.129,"smiles":"CC(=CCc1c(ccc2c1O[C@@H](CC2=O)c3ccc(cc3)O)O)C","spectrum_id":"CCMSLIB00004683716","spectrum_index":292},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isobavachin - 40eV","exact_mass":324.136159,"inchikey":"KYFBXCHUXFKMGQ-IBGZPJMESA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.13,"smiles":"CC(=CCc1c(ccc2c1O[C@@H](CC2=O)c3ccc(cc3)O)O)C","spectrum_id":"CCMSLIB00004683717","spectrum_index":293},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isobavachin - 20eV","exact_mass":324.136159,"inchikey":"KYFBXCHUXFKMGQ-IBGZPJMESA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.13,"smiles":"CC(=CCc1c(ccc2c1O[C@@H](CC2=O)c3ccc(cc3)O)O)C","spectrum_id":"CCMSLIB00004683718","spectrum_index":294},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hesperetin - 20eV","exact_mass":302.079038,"inchikey":"AIONOLUJZLIMTK-AWEZNQCLSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.072,"smiles":"COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O","spectrum_id":"CCMSLIB00004683723","spectrum_index":295},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hesperetin - 40eV","exact_mass":302.079038,"inchikey":"AIONOLUJZLIMTK-AWEZNQCLSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.07,"smiles":"COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O","spectrum_id":"CCMSLIB00004683724","spectrum_index":296},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hesperetin - 10eV","exact_mass":302.079038,"inchikey":"AIONOLUJZLIMTK-AWEZNQCLSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.072,"smiles":"COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O","spectrum_id":"CCMSLIB00004683725","spectrum_index":297},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hesperetin - 30eV","exact_mass":302.079038,"inchikey":"AIONOLUJZLIMTK-AWEZNQCLSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.073,"smiles":"COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O","spectrum_id":"CCMSLIB00004683726","spectrum_index":298},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Kaempferol-3-O-glucoside - 10eV","exact_mass":448.100561,"inchikey":"JPUKWEQWGBDDQB-QSOFNFLRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.093,"smiles":"c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683727","spectrum_index":299},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Kaempferol-3-O-glucoside - 20eV","exact_mass":448.100561,"inchikey":"JPUKWEQWGBDDQB-QSOFNFLRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.093,"smiles":"c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683728","spectrum_index":300},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Kaempferol-3-O-glucoside - 30eV","exact_mass":448.100561,"inchikey":"JPUKWEQWGBDDQB-QSOFNFLRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.094,"smiles":"c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683729","spectrum_index":301},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Kaempferol-3-O-glucoside - 40eV","exact_mass":448.100561,"inchikey":"JPUKWEQWGBDDQB-QSOFNFLRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.091,"smiles":"c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683730","spectrum_index":302},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Kaempferol-3-O-glucoside - 50eV","exact_mass":448.100561,"inchikey":"JPUKWEQWGBDDQB-QSOFNFLRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.09,"smiles":"c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683731","spectrum_index":303},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6,7,3',4'-Tetrahydroxyflavanone - 10eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.056,"smiles":null,"spectrum_id":"CCMSLIB00004683737","spectrum_index":304},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6,7,3',4'-Tetrahydroxyflavanone - 20eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.057,"smiles":null,"spectrum_id":"CCMSLIB00004683738","spectrum_index":305},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6,7,3',4'-Tetrahydroxyflavanone - 30eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.08,"smiles":null,"spectrum_id":"CCMSLIB00004683739","spectrum_index":306},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,7-Dihydroxy-2'-methoxyflavone - 50eV","exact_mass":284.068473,"inchikey":"SWYVZKGICYEZDR-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.06,"smiles":"COc1ccccc1c2cc(=O)c3c(cc(cc3o2)O)O","spectrum_id":"CCMSLIB00004683740","spectrum_index":307},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,7-Dihydroxy-2'-methoxyflavone - 40eV","exact_mass":284.068473,"inchikey":"SWYVZKGICYEZDR-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.06,"smiles":"COc1ccccc1c2cc(=O)c3c(cc(cc3o2)O)O","spectrum_id":"CCMSLIB00004683741","spectrum_index":308},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,7-Dihydroxy-2'-methoxyflavone - 20eV","exact_mass":284.068473,"inchikey":"SWYVZKGICYEZDR-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.062,"smiles":"COc1ccccc1c2cc(=O)c3c(cc(cc3o2)O)O","spectrum_id":"CCMSLIB00004683742","spectrum_index":309},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,7-Dihydroxy-2'-methoxyflavone - 30eV","exact_mass":284.068473,"inchikey":"SWYVZKGICYEZDR-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.061,"smiles":"COc1ccccc1c2cc(=O)c3c(cc(cc3o2)O)O","spectrum_id":"CCMSLIB00004683743","spectrum_index":310},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7,4'-Dimethoxy-5-hydroxyflavanone - 20eV","exact_mass":300.099774,"inchikey":"CKEXCBVNKRHAMX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.092,"smiles":"COc1ccc(cc1)C2CC(=O)c3c(cc(cc3O2)OC)O","spectrum_id":"CCMSLIB00004683744","spectrum_index":311},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7,4'-Dimethoxy-5-hydroxyflavanone - 40eV","exact_mass":300.099774,"inchikey":"CKEXCBVNKRHAMX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.09,"smiles":"COc1ccc(cc1)C2CC(=O)c3c(cc(cc3O2)OC)O","spectrum_id":"CCMSLIB00004683745","spectrum_index":312},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7,4'-Dimethoxy-5-hydroxyflavanone - 30eV","exact_mass":300.099774,"inchikey":"CKEXCBVNKRHAMX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.093,"smiles":"COc1ccc(cc1)C2CC(=O)c3c(cc(cc3O2)OC)O","spectrum_id":"CCMSLIB00004683746","spectrum_index":313},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Corymbosin - 20eV","exact_mass":358.105253,"inchikey":"FLCVGMVLNHYJAW-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.095,"smiles":"COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C(=C3)OC)OC)OC)O","spectrum_id":"CCMSLIB00004683747","spectrum_index":314},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Corymbosin - 10eV","exact_mass":358.105253,"inchikey":"FLCVGMVLNHYJAW-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.095,"smiles":"COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C(=C3)OC)OC)OC)O","spectrum_id":"CCMSLIB00004683748","spectrum_index":315},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Corymbosin - 30eV","exact_mass":358.105253,"inchikey":"FLCVGMVLNHYJAW-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.092,"smiles":"COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C(=C3)OC)OC)OC)O","spectrum_id":"CCMSLIB00004683751","spectrum_index":316},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Eriodictyol-7-neohesperidoside - 50eV","exact_mass":596.17412,"inchikey":"OBKKEZLIABHSGY-DOYQYKRZSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.17,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)O)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683752","spectrum_index":317},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Eriodictyol-7-neohesperidoside - 20eV","exact_mass":596.17412,"inchikey":"OBKKEZLIABHSGY-DOYQYKRZSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.168,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)O)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683753","spectrum_index":318},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Eriodictyol-7-neohesperidoside - 10eV","exact_mass":596.17412,"inchikey":"OBKKEZLIABHSGY-DOYQYKRZSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.169,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)O)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683754","spectrum_index":319},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Eriodictyol-7-neohesperidoside - 30eV","exact_mass":596.17412,"inchikey":"OBKKEZLIABHSGY-DOYQYKRZSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.169,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)O)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683755","spectrum_index":320},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Eriodictyol-7-neohesperidoside - 40eV","exact_mass":596.17412,"inchikey":"OBKKEZLIABHSGY-DOYQYKRZSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":595.168,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)O)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683756","spectrum_index":321},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Farrerol - 10eV","exact_mass":300.099774,"inchikey":"DYHOLQACRGJEHX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.093,"smiles":"Cc1c(c(c2c(c1O)C(=O)CC(O2)c3ccc(cc3)O)C)O","spectrum_id":"CCMSLIB00004683757","spectrum_index":322},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Farrerol - 20eV","exact_mass":300.099774,"inchikey":"DYHOLQACRGJEHX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.093,"smiles":"Cc1c(c(c2c(c1O)C(=O)CC(O2)c3ccc(cc3)O)C)O","spectrum_id":"CCMSLIB00004683758","spectrum_index":323},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Farrerol - 40eV","exact_mass":300.099774,"inchikey":"DYHOLQACRGJEHX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.09,"smiles":"Cc1c(c(c2c(c1O)C(=O)CC(O2)c3ccc(cc3)O)C)O","spectrum_id":"CCMSLIB00004683759","spectrum_index":324},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Farrerol - 30eV","exact_mass":300.099774,"inchikey":"DYHOLQACRGJEHX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.093,"smiles":"Cc1c(c(c2c(c1O)C(=O)CC(O2)c3ccc(cc3)O)C)O","spectrum_id":"CCMSLIB00004683760","spectrum_index":325},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3',4'-Dihydroxyflavone - 50eV","exact_mass":254.057909,"inchikey":"SRNPMQHYWVKBAV-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.05,"smiles":"c1ccc2c(c1)c(=O)cc(o2)c3ccc(c(c3)O)O","spectrum_id":"CCMSLIB00004683761","spectrum_index":326},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3',4'-Dihydroxyflavone - 40eV","exact_mass":254.057909,"inchikey":"SRNPMQHYWVKBAV-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.05,"smiles":"c1ccc2c(c1)c(=O)cc(o2)c3ccc(c(c3)O)O","spectrum_id":"CCMSLIB00004683762","spectrum_index":327},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3',4'-Dihydroxyflavone - 30eV","exact_mass":254.057909,"inchikey":"SRNPMQHYWVKBAV-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.051,"smiles":"c1ccc2c(c1)c(=O)cc(o2)c3ccc(c(c3)O)O","spectrum_id":"CCMSLIB00004683763","spectrum_index":328},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3',4'-Dihydroxyflavone - 20eV","exact_mass":254.057909,"inchikey":"SRNPMQHYWVKBAV-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.051,"smiles":"c1ccc2c(c1)c(=O)cc(o2)c3ccc(c(c3)O)O","spectrum_id":"CCMSLIB00004683764","spectrum_index":329},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5-Hydroxy-3',4'-dimethoxyflavanone - 20eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.091,"smiles":null,"spectrum_id":"CCMSLIB00004683765","spectrum_index":330},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5-Hydroxy-3',4'-dimethoxyflavanone - 30eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.09,"smiles":null,"spectrum_id":"CCMSLIB00004683766","spectrum_index":331},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,6-Dihydroxy-3',4'-dimethoxyflavanone - 10eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.085,"smiles":null,"spectrum_id":"CCMSLIB00004683767","spectrum_index":332},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,6-Dihydroxy-3',4'-dimethoxyflavanone - 20eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.087,"smiles":null,"spectrum_id":"CCMSLIB00004683768","spectrum_index":333},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,7-Dihydroxy-3',4'-dimethoxyflavanone - 30eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.087,"smiles":null,"spectrum_id":"CCMSLIB00004683769","spectrum_index":334},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,7-Dihydroxy-3',4'-dimethoxyflavanone - 40eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.09,"smiles":null,"spectrum_id":"CCMSLIB00004683770","spectrum_index":335},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Aspalathin - 20eV","exact_mass":452.131862,"inchikey":"VCPUQYKWJRESOC-VJXVFPJBSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.126,"smiles":"O=C(c1c(O)c(c(O)cc1O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)CCc3ccc(O)c(O)c3","spectrum_id":"CCMSLIB00004683771","spectrum_index":336},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Aspalathin - 30eV","exact_mass":452.131862,"inchikey":"VCPUQYKWJRESOC-VJXVFPJBSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.122,"smiles":"O=C(c1c(O)c(c(O)cc1O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)CCc3ccc(O)c(O)c3","spectrum_id":"CCMSLIB00004683772","spectrum_index":337},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Aspalathin - 10eV","exact_mass":452.131862,"inchikey":"VCPUQYKWJRESOC-VJXVFPJBSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.127,"smiles":"O=C(c1c(O)c(c(O)cc1O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)CCc3ccc(O)c(O)c3","spectrum_id":"CCMSLIB00004683773","spectrum_index":338},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Aspalathin - 40eV","exact_mass":452.131862,"inchikey":"VCPUQYKWJRESOC-VJXVFPJBSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.13,"smiles":"O=C(c1c(O)c(c(O)cc1O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)CCc3ccc(O)c(O)c3","spectrum_id":"CCMSLIB00004683774","spectrum_index":339},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Aspalathin - 50eV","exact_mass":452.131862,"inchikey":"VCPUQYKWJRESOC-VJXVFPJBSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":451.13,"smiles":"O=C(c1c(O)c(c(O)cc1O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)CCc3ccc(O)c(O)c3","spectrum_id":"CCMSLIB00004683775","spectrum_index":340},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Tectochrysin (5-hydroxy-7-methoxyflavone) - 10eV","exact_mass":268.073559,"inchikey":"IRZVHDLBAYNPCT-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.066,"smiles":"COc1cc(c2c(=O)cc(oc2c1)c3ccccc3)O","spectrum_id":"CCMSLIB00004683776","spectrum_index":341},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Tectochrysin (5-hydroxy-7-methoxyflavone) - 20eV","exact_mass":268.073559,"inchikey":"IRZVHDLBAYNPCT-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.064,"smiles":"COc1cc(c2c(=O)cc(oc2c1)c3ccccc3)O","spectrum_id":"CCMSLIB00004683778","spectrum_index":342},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranetin - 20eV","exact_mass":286.084124,"inchikey":"HMUJXQRRKBLVOO-AWEZNQCLSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.078,"smiles":"COc1ccc(cc1)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O","spectrum_id":"CCMSLIB00004683779","spectrum_index":343},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranetin - 30eV","exact_mass":286.084124,"inchikey":"HMUJXQRRKBLVOO-AWEZNQCLSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.078,"smiles":"COc1ccc(cc1)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O","spectrum_id":"CCMSLIB00004683780","spectrum_index":344},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranetin - 10eV","exact_mass":286.084124,"inchikey":"HMUJXQRRKBLVOO-AWEZNQCLSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.078,"smiles":"COc1ccc(cc1)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O","spectrum_id":"CCMSLIB00004683781","spectrum_index":345},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Sakuranetin - 10eV","exact_mass":286.084124,"inchikey":"DJOJDHGQRNZXQQ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.077,"smiles":"COc1cc(c2c(c1)OC(CC2=O)c3ccc(cc3)O)O","spectrum_id":"CCMSLIB00004683785","spectrum_index":346},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Sakuranetin - 20eV","exact_mass":286.084124,"inchikey":"DJOJDHGQRNZXQQ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.077,"smiles":"COc1cc(c2c(c1)OC(CC2=O)c3ccc(cc3)O)O","spectrum_id":"CCMSLIB00004683786","spectrum_index":347},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6-Hydroxyflavanone - 20eV","exact_mass":240.078644,"inchikey":"XYHWPQUEOOBIOW-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.069,"smiles":"c1ccc(cc1)C2CC(=O)c3cc(ccc3O2)O","spectrum_id":"CCMSLIB00004683793","spectrum_index":348},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"6-Hydroxyflavanone - 10eV","exact_mass":240.078644,"inchikey":"XYHWPQUEOOBIOW-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.071,"smiles":"c1ccc(cc1)C2CC(=O)c3cc(ccc3O2)O","spectrum_id":"CCMSLIB00004683794","spectrum_index":349},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3',4'-Dimethoxy-7-hydroxyflavanone - 20eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.095,"smiles":null,"spectrum_id":"CCMSLIB00004683796","spectrum_index":350},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3',4'-Dimethoxy-7-hydroxyflavanone - 40eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.1,"smiles":null,"spectrum_id":"CCMSLIB00004683797","spectrum_index":351},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3',4'-Dimethoxy-7-hydroxyflavanone - 30eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.095,"smiles":null,"spectrum_id":"CCMSLIB00004683798","spectrum_index":352},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3',4'-Dimethoxy-7-hydroxyflavanone - 50eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":311.1,"smiles":null,"spectrum_id":"CCMSLIB00004683799","spectrum_index":353},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Hydroxy-3'-methoxyflavone - 20eV","exact_mass":268.073559,"inchikey":"PTXIWVJSAQPKEY-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.067,"smiles":"COc1cccc(c1)c2cc(=O)c3ccc(cc3o2)O","spectrum_id":"CCMSLIB00004683800","spectrum_index":354},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Hydroxy-3'-methoxyflavone - 40eV","exact_mass":268.073559,"inchikey":"PTXIWVJSAQPKEY-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.07,"smiles":"COc1cccc(c1)c2cc(=O)c3ccc(cc3o2)O","spectrum_id":"CCMSLIB00004683801","spectrum_index":355},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Hydroxy-3'-methoxyflavone - 30eV","exact_mass":268.073559,"inchikey":"PTXIWVJSAQPKEY-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.066,"smiles":"COc1cccc(c1)c2cc(=O)c3ccc(cc3o2)O","spectrum_id":"CCMSLIB00004683802","spectrum_index":356},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"8-Hydroxy-5-methoxyflavanone - 10eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.082,"smiles":null,"spectrum_id":"CCMSLIB00004683803","spectrum_index":357},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"8-Hydroxy-5-methoxyflavanone - 20eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.084,"smiles":null,"spectrum_id":"CCMSLIB00004683804","spectrum_index":358},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,3',4'-Trihydroxyflavone - 40eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.046,"smiles":null,"spectrum_id":"CCMSLIB00004683805","spectrum_index":359},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,3',4'-Trihydroxyflavone - 30eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.046,"smiles":null,"spectrum_id":"CCMSLIB00004683806","spectrum_index":360},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Artocaprin - 10eV","exact_mass":436.188589,"inchikey":"KRGDFVQWQJIMEK-RMKNXTFCSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.183,"smiles":"CC(C)/C=C/c1c(cc2c(c1O)c(=O)c(c(o2)c3ccc(cc3O)O)CC=C(C)C)OC","spectrum_id":"CCMSLIB00004683807","spectrum_index":361},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Artocaprin - 30eV","exact_mass":436.188589,"inchikey":"KRGDFVQWQJIMEK-RMKNXTFCSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.181,"smiles":"CC(C)/C=C/c1c(cc2c(c1O)c(=O)c(c(o2)c3ccc(cc3O)O)CC=C(C)C)OC","spectrum_id":"CCMSLIB00004683808","spectrum_index":362},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Artocaprin - 50eV","exact_mass":436.188589,"inchikey":"KRGDFVQWQJIMEK-RMKNXTFCSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.18,"smiles":"CC(C)/C=C/c1c(cc2c(c1O)c(=O)c(c(o2)c3ccc(cc3O)O)CC=C(C)C)OC","spectrum_id":"CCMSLIB00004683809","spectrum_index":363},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Artocaprin - 20eV","exact_mass":436.188589,"inchikey":"KRGDFVQWQJIMEK-RMKNXTFCSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.182,"smiles":"CC(C)/C=C/c1c(cc2c(c1O)c(=O)c(c(o2)c3ccc(cc3O)O)CC=C(C)C)OC","spectrum_id":"CCMSLIB00004683810","spectrum_index":364},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Artocaprin - 40eV","exact_mass":436.188589,"inchikey":"KRGDFVQWQJIMEK-RMKNXTFCSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":435.18,"smiles":"CC(C)/C=C/c1c(cc2c(c1O)c(=O)c(c(o2)c3ccc(cc3O)O)CC=C(C)C)OC","spectrum_id":"CCMSLIB00004683811","spectrum_index":365},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Eupatilin - 20eV","exact_mass":344.089603,"inchikey":"DRRWBCNQOKKKOL-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.082,"smiles":"COc1ccc(cc1OC)c2cc(=O)c3c(o2)cc(c(c3O)OC)O","spectrum_id":"CCMSLIB00004683812","spectrum_index":366},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Eupatilin - 50eV","exact_mass":344.089603,"inchikey":"DRRWBCNQOKKKOL-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.08,"smiles":"COc1ccc(cc1OC)c2cc(=O)c3c(o2)cc(c(c3O)OC)O","spectrum_id":"CCMSLIB00004683813","spectrum_index":367},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Eupatilin - 30eV","exact_mass":344.089603,"inchikey":"DRRWBCNQOKKKOL-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.08,"smiles":"COc1ccc(cc1OC)c2cc(=O)c3c(o2)cc(c(c3O)OC)O","spectrum_id":"CCMSLIB00004683814","spectrum_index":368},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Eupatilin - 40eV","exact_mass":344.089603,"inchikey":"DRRWBCNQOKKKOL-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.08,"smiles":"COc1ccc(cc1OC)c2cc(=O)c3c(o2)cc(c(c3O)OC)O","spectrum_id":"CCMSLIB00004683815","spectrum_index":369},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Eupatilin - 10eV","exact_mass":344.089603,"inchikey":"DRRWBCNQOKKKOL-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.084,"smiles":"COc1ccc(cc1OC)c2cc(=O)c3c(o2)cc(c(c3O)OC)O","spectrum_id":"CCMSLIB00004683816","spectrum_index":370},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hispidulin - 10eV","exact_mass":300.063388,"inchikey":"IHFBPDAQLQOCBX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.056,"smiles":"COc1c(cc2c(c1O)c(=O)cc(o2)c3ccc(cc3)O)O","spectrum_id":"CCMSLIB00004683821","spectrum_index":371},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hispidulin - 20eV","exact_mass":300.063388,"inchikey":"IHFBPDAQLQOCBX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.056,"smiles":"COc1c(cc2c(c1O)c(=O)cc(o2)c3ccc(cc3)O)O","spectrum_id":"CCMSLIB00004683822","spectrum_index":372},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hispidulin - 40eV","exact_mass":300.063388,"inchikey":"IHFBPDAQLQOCBX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.05,"smiles":"COc1c(cc2c(c1O)c(=O)cc(o2)c3ccc(cc3)O)O","spectrum_id":"CCMSLIB00004683823","spectrum_index":373},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hispidulin - 30eV","exact_mass":300.063388,"inchikey":"IHFBPDAQLQOCBX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.057,"smiles":"COc1c(cc2c(c1O)c(=O)cc(o2)c3ccc(cc3)O)O","spectrum_id":"CCMSLIB00004683824","spectrum_index":374},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hispidulin - 50eV","exact_mass":300.063388,"inchikey":"IHFBPDAQLQOCBX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.05,"smiles":"COc1c(cc2c(c1O)c(=O)cc(o2)c3ccc(cc3)O)O","spectrum_id":"CCMSLIB00004683825","spectrum_index":375},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 10eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.077,"smiles":null,"spectrum_id":"CCMSLIB00004683826","spectrum_index":376},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 10eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.06,"smiles":null,"spectrum_id":"CCMSLIB00004683827","spectrum_index":377},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 50eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.08,"smiles":null,"spectrum_id":"CCMSLIB00004683828","spectrum_index":378},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 40eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.06,"smiles":null,"spectrum_id":"CCMSLIB00004683829","spectrum_index":379},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 20eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.06,"smiles":null,"spectrum_id":"CCMSLIB00004683830","spectrum_index":380},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 30eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.06,"smiles":null,"spectrum_id":"CCMSLIB00004683831","spectrum_index":381},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 20eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.077,"smiles":null,"spectrum_id":"CCMSLIB00004683832","spectrum_index":382},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 10eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.138,"smiles":null,"spectrum_id":"CCMSLIB00004683833","spectrum_index":383},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 30eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.132,"smiles":null,"spectrum_id":"CCMSLIB00004683834","spectrum_index":384},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 50eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.1,"smiles":null,"spectrum_id":"CCMSLIB00004683835","spectrum_index":385},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 20eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.133,"smiles":null,"spectrum_id":"CCMSLIB00004683836","spectrum_index":386},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 40eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.1,"smiles":null,"spectrum_id":"CCMSLIB00004683837","spectrum_index":387},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 30eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.076,"smiles":null,"spectrum_id":"CCMSLIB00004683838","spectrum_index":388},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 20eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.1,"smiles":null,"spectrum_id":"CCMSLIB00004683839","spectrum_index":389},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 30eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":493.1,"smiles":null,"spectrum_id":"CCMSLIB00004683840","spectrum_index":390},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 40eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.075,"smiles":null,"spectrum_id":"CCMSLIB00004683841","spectrum_index":391},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 10eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.134,"smiles":null,"spectrum_id":"CCMSLIB00004683842","spectrum_index":392},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 50eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.1,"smiles":null,"spectrum_id":"CCMSLIB00004683843","spectrum_index":393},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Isosakuranin - 40eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.1,"smiles":null,"spectrum_id":"CCMSLIB00004683844","spectrum_index":394},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Nevadensin - 10eV","exact_mass":344.089603,"inchikey":"KRFBMPVGAYGGJE-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.084,"smiles":"COc1ccc(cc1)c2cc(=O)c3c(c(c(c(c3o2)OC)O)OC)O","spectrum_id":"CCMSLIB00004683845","spectrum_index":395},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Nevadensin - 20eV","exact_mass":344.089603,"inchikey":"KRFBMPVGAYGGJE-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.083,"smiles":"COc1ccc(cc1)c2cc(=O)c3c(c(c(c(c3o2)OC)O)OC)O","spectrum_id":"CCMSLIB00004683846","spectrum_index":396},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Nevadensin - 30eV","exact_mass":344.089603,"inchikey":"KRFBMPVGAYGGJE-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.083,"smiles":"COc1ccc(cc1)c2cc(=O)c3c(c(c(c(c3o2)OC)O)OC)O","spectrum_id":"CCMSLIB00004683847","spectrum_index":397},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Nevadensin - 40eV","exact_mass":344.089603,"inchikey":"KRFBMPVGAYGGJE-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.08,"smiles":"COc1ccc(cc1)c2cc(=O)c3c(c(c(c(c3o2)OC)O)OC)O","spectrum_id":"CCMSLIB00004683848","spectrum_index":398},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Nevadensin - 50eV","exact_mass":344.089603,"inchikey":"KRFBMPVGAYGGJE-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.08,"smiles":"COc1ccc(cc1)c2cc(=O)c3c(c(c(c(c3o2)OC)O)OC)O","spectrum_id":"CCMSLIB00004683849","spectrum_index":399},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pratol - 20eV","exact_mass":268.073559,"inchikey":"SQVXWIUVAILQRH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.066,"smiles":"COc1ccc(cc1)c2cc(=O)c3ccc(cc3o2)O","spectrum_id":"CCMSLIB00004683850","spectrum_index":400},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pratol - 10eV","exact_mass":268.073559,"inchikey":"SQVXWIUVAILQRH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.066,"smiles":"COc1ccc(cc1)c2cc(=O)c3ccc(cc3o2)O","spectrum_id":"CCMSLIB00004683851","spectrum_index":401},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pratol - 40eV","exact_mass":268.073559,"inchikey":"SQVXWIUVAILQRH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.07,"smiles":"COc1ccc(cc1)c2cc(=O)c3ccc(cc3o2)O","spectrum_id":"CCMSLIB00004683852","spectrum_index":402},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pratol - 30eV","exact_mass":268.073559,"inchikey":"SQVXWIUVAILQRH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.066,"smiles":"COc1ccc(cc1)c2cc(=O)c3ccc(cc3o2)O","spectrum_id":"CCMSLIB00004683853","spectrum_index":403},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pratol - 6eV","exact_mass":268.073559,"inchikey":"SQVXWIUVAILQRH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.066,"smiles":"COc1ccc(cc1)c2cc(=O)c3ccc(cc3o2)O","spectrum_id":"CCMSLIB00004683854","spectrum_index":404},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Neohesperidin - 20eV","exact_mass":610.18977,"inchikey":"ARGKVCXINMKCAZ-UZRWAPQLSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.18,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)OC)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683855","spectrum_index":405},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Neohesperidin - 30eV","exact_mass":610.18977,"inchikey":"ARGKVCXINMKCAZ-UZRWAPQLSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.179,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)OC)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683856","spectrum_index":406},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Neohesperidin - 10eV","exact_mass":610.18977,"inchikey":"ARGKVCXINMKCAZ-UZRWAPQLSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.18,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)OC)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683857","spectrum_index":407},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Neohesperidin - 40eV","exact_mass":610.18977,"inchikey":"ARGKVCXINMKCAZ-UZRWAPQLSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.18,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)OC)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683858","spectrum_index":408},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Neohesperidin dihydrochalcone - 6eV","exact_mass":612.20542,"inchikey":"ITVGXXMINPYUHD-CUVHLRMHSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.209,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c(c(c3)O)C(=O)CCc4ccc(c(c4)O)OC)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683859","spectrum_index":409},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Neohesperidin dihydrochalcone - 30eV","exact_mass":612.20542,"inchikey":"ITVGXXMINPYUHD-CUVHLRMHSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.209,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c(c(c3)O)C(=O)CCc4ccc(c(c4)O)OC)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683860","spectrum_index":410},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Neohesperidin dihydrochalcone - 40eV","exact_mass":612.20542,"inchikey":"ITVGXXMINPYUHD-CUVHLRMHSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":611.208,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c(c(c3)O)C(=O)CCc4ccc(c(c4)O)OC)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683861","spectrum_index":411},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Saponarin - 20eV","exact_mass":594.15847,"inchikey":"HGUVPEBGCAVWID-KETMJRJWSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.149,"smiles":"c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683866","spectrum_index":412},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Saponarin - 10eV","exact_mass":594.15847,"inchikey":"HGUVPEBGCAVWID-KETMJRJWSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.149,"smiles":"c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683867","spectrum_index":413},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Saponarin - 30eV","exact_mass":594.15847,"inchikey":"HGUVPEBGCAVWID-KETMJRJWSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.149,"smiles":"c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683868","spectrum_index":414},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Saponarin - 40eV","exact_mass":594.15847,"inchikey":"HGUVPEBGCAVWID-KETMJRJWSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.149,"smiles":"c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683869","spectrum_index":415},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Saponarin - 50eV","exact_mass":594.15847,"inchikey":"HGUVPEBGCAVWID-KETMJRJWSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":593.149,"smiles":"c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O","spectrum_id":"CCMSLIB00004683870","spectrum_index":416},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Scaposin - 10eV","exact_mass":390.095082,"inchikey":"NYKXAPFHNLNAIJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.087,"smiles":"COc1cc(cc(c1OC)O)c2cc(=O)c3c(c(c(c(c3o2)OC)O)OC)O","spectrum_id":"CCMSLIB00004683871","spectrum_index":417},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Scaposin - 50eV","exact_mass":390.095082,"inchikey":"NYKXAPFHNLNAIJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.1,"smiles":"COc1cc(cc(c1OC)O)c2cc(=O)c3c(c(c(c(c3o2)OC)O)OC)O","spectrum_id":"CCMSLIB00004683872","spectrum_index":418},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Scaposin - 40eV","exact_mass":390.095082,"inchikey":"NYKXAPFHNLNAIJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.1,"smiles":"COc1cc(cc(c1OC)O)c2cc(=O)c3c(c(c(c(c3o2)OC)O)OC)O","spectrum_id":"CCMSLIB00004683873","spectrum_index":419},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Scaposin - 30eV","exact_mass":390.095082,"inchikey":"NYKXAPFHNLNAIJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.091,"smiles":"COc1cc(cc(c1OC)O)c2cc(=O)c3c(c(c(c(c3o2)OC)O)OC)O","spectrum_id":"CCMSLIB00004683874","spectrum_index":420},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Scaposin - 20eV","exact_mass":390.095082,"inchikey":"NYKXAPFHNLNAIJ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":389.087,"smiles":"COc1cc(cc(c1OC)O)c2cc(=O)c3c(c(c(c(c3o2)OC)O)OC)O","spectrum_id":"CCMSLIB00004683875","spectrum_index":421},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Sorbifolin - 10eV","exact_mass":300.063388,"inchikey":"UWARRXZVZDFPQU-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.06,"smiles":"COc1cc2c(c(=O)cc(o2)c3ccc(cc3)O)c(c1O)O","spectrum_id":"CCMSLIB00004683876","spectrum_index":422},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Sorbifolin - 30eV","exact_mass":300.063388,"inchikey":"UWARRXZVZDFPQU-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.06,"smiles":"COc1cc2c(c(=O)cc(o2)c3ccc(cc3)O)c(c1O)O","spectrum_id":"CCMSLIB00004683877","spectrum_index":423},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Sorbifolin - 20eV","exact_mass":300.063388,"inchikey":"UWARRXZVZDFPQU-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.059,"smiles":"COc1cc2c(c(=O)cc(o2)c3ccc(cc3)O)c(c1O)O","spectrum_id":"CCMSLIB00004683878","spectrum_index":424},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Silychristin - 10eV","exact_mass":482.121297,"inchikey":"BMLIIPOXVWESJG-LMBCONBSSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.118,"smiles":"COc1cc(ccc1O)[C@H]2[C@@H](c3cc(cc(c3O2)O)[C@@H]4[C@H](C(=O)c5c(cc(cc5O4)O)O)O)CO","spectrum_id":"CCMSLIB00004683881","spectrum_index":425},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Silychristin - 20eV","exact_mass":482.121297,"inchikey":"BMLIIPOXVWESJG-LMBCONBSSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.115,"smiles":"COc1cc(ccc1O)[C@H]2[C@@H](c3cc(cc(c3O2)O)[C@@H]4[C@H](C(=O)c5c(cc(cc5O4)O)O)O)CO","spectrum_id":"CCMSLIB00004683882","spectrum_index":426},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Silychristin - 40eV","exact_mass":482.121297,"inchikey":"BMLIIPOXVWESJG-LMBCONBSSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.1,"smiles":"COc1cc(ccc1O)[C@H]2[C@@H](c3cc(cc(c3O2)O)[C@@H]4[C@H](C(=O)c5c(cc(cc5O4)O)O)O)CO","spectrum_id":"CCMSLIB00004683883","spectrum_index":427},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Silychristin - 30eV","exact_mass":482.121297,"inchikey":"BMLIIPOXVWESJG-LMBCONBSSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.1,"smiles":"COc1cc(ccc1O)[C@H]2[C@@H](c3cc(cc(c3O2)O)[C@@H]4[C@H](C(=O)c5c(cc(cc5O4)O)O)O)CO","spectrum_id":"CCMSLIB00004683884","spectrum_index":428},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glycitein - 10eV","exact_mass":284.068473,"inchikey":"DXYUAIFZCFRPTH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.062,"smiles":"COc1cc2c(cc1O)occ(c2=O)c3ccc(cc3)O","spectrum_id":"CCMSLIB00004683885","spectrum_index":429},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glycitein - 20eV","exact_mass":284.068473,"inchikey":"DXYUAIFZCFRPTH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.061,"smiles":"COc1cc2c(cc1O)occ(c2=O)c3ccc(cc3)O","spectrum_id":"CCMSLIB00004683889","spectrum_index":430},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Galangin - 10eV","exact_mass":270.052823,"inchikey":"VCCRNZQBSJXYJD-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.047,"smiles":"c1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)O","spectrum_id":"CCMSLIB00004683890","spectrum_index":431},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Galangin - 40eV","exact_mass":270.052823,"inchikey":"VCCRNZQBSJXYJD-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.045,"smiles":"c1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)O","spectrum_id":"CCMSLIB00004683891","spectrum_index":432},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Galangin - 30eV","exact_mass":270.052823,"inchikey":"VCCRNZQBSJXYJD-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.047,"smiles":"c1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)O","spectrum_id":"CCMSLIB00004683892","spectrum_index":433},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Galangin - 20eV","exact_mass":270.052823,"inchikey":"VCCRNZQBSJXYJD-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.047,"smiles":"c1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)O","spectrum_id":"CCMSLIB00004683893","spectrum_index":434},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Apigenin-7-O-glucoside (Apigetrin) - 20eV","exact_mass":432.105647,"inchikey":"KMOUJOKENFFTPU-QNDFHXLGSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.096,"smiles":"c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683904","spectrum_index":435},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Apigenin-7-O-glucoside (Apigetrin) - 30eV","exact_mass":432.105647,"inchikey":"KMOUJOKENFFTPU-QNDFHXLGSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.096,"smiles":"c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683905","spectrum_index":436},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Apigenin-7-O-glucoside (Apigetrin) - 10eV","exact_mass":432.105647,"inchikey":"KMOUJOKENFFTPU-QNDFHXLGSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.096,"smiles":"c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683906","spectrum_index":437},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Apigenin-7-O-glucoside (Apigetrin) - 40eV","exact_mass":432.105647,"inchikey":"KMOUJOKENFFTPU-QNDFHXLGSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.096,"smiles":"c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683907","spectrum_index":438},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Apigenin-7-O-glucoside (Apigetrin) - 50eV","exact_mass":432.105647,"inchikey":"KMOUJOKENFFTPU-QNDFHXLGSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":431.1,"smiles":"c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683908","spectrum_index":439},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Apigenin-7-neohesperidoside (Rhoifolin) - 10eV","exact_mass":578.163556,"inchikey":"RPMNUQRUHXIGHK-PYXJVEIZSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.161,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(=O)cc(oc4c3)c5ccc(cc5)O)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683909","spectrum_index":440},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Apigenin-7-neohesperidoside (Rhoifolin) - 20eV","exact_mass":578.163556,"inchikey":"RPMNUQRUHXIGHK-PYXJVEIZSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.161,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(=O)cc(oc4c3)c5ccc(cc5)O)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683910","spectrum_index":441},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Apigenin-7-neohesperidoside (Rhoifolin) - 30eV","exact_mass":578.163556,"inchikey":"RPMNUQRUHXIGHK-PYXJVEIZSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.162,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(=O)cc(oc4c3)c5ccc(cc5)O)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683911","spectrum_index":442},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Apigenin-7-neohesperidoside (Rhoifolin) - 40eV","exact_mass":578.163556,"inchikey":"RPMNUQRUHXIGHK-PYXJVEIZSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.16,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(=O)cc(oc4c3)c5ccc(cc5)O)O)CO)O)O)O)O)O","spectrum_id":"CCMSLIB00004683912","spectrum_index":443},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acacetin-5-O-xyloside - 10eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.105,"smiles":null,"spectrum_id":"CCMSLIB00004683913","spectrum_index":444},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acacetin-5-O-xyloside - 20eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.104,"smiles":null,"spectrum_id":"CCMSLIB00004683914","spectrum_index":445},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acacetin-5-O-xyloside - 30eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.103,"smiles":null,"spectrum_id":"CCMSLIB00004683915","spectrum_index":446},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acacetin-5-O-xyloside - 40eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.104,"smiles":null,"spectrum_id":"CCMSLIB00004683916","spectrum_index":447},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acacetin-5-O-xyloside - 50eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.2,"smiles":null,"spectrum_id":"CCMSLIB00004683917","spectrum_index":448},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,7,4'-Trihydroxyflavone (5-Deoxykampferol) - 10eV","exact_mass":270.052823,"inchikey":"OBWHQJYOOCRPST-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.044,"smiles":"c1cc(ccc1c2c(c(=O)c3ccc(cc3o2)O)O)O","spectrum_id":"CCMSLIB00004683919","spectrum_index":449},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,7,4'-Trihydroxyflavone (5-Deoxykampferol) - 20eV","exact_mass":270.052823,"inchikey":"OBWHQJYOOCRPST-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.041,"smiles":"c1cc(ccc1c2c(c(=O)c3ccc(cc3o2)O)O)O","spectrum_id":"CCMSLIB00004683920","spectrum_index":450},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,7,4'-Trihydroxyflavone (5-Deoxykampferol) - 30eV","exact_mass":270.052823,"inchikey":"OBWHQJYOOCRPST-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.044,"smiles":"c1cc(ccc1c2c(c(=O)c3ccc(cc3o2)O)O)O","spectrum_id":"CCMSLIB00004683921","spectrum_index":451},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3',4',7-Trihydroxyisoflavone - 30eV","exact_mass":270.052823,"inchikey":"DDKGKOOLFLYZDL-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.046,"smiles":"c1cc(c(cc1c2coc3cc(ccc3c2=O)O)O)O","spectrum_id":"CCMSLIB00004683923","spectrum_index":452},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3',4',7-Trihydroxyisoflavone - 20eV","exact_mass":270.052823,"inchikey":"DDKGKOOLFLYZDL-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.045,"smiles":"c1cc(c(cc1c2coc3cc(ccc3c2=O)O)O)O","spectrum_id":"CCMSLIB00004683924","spectrum_index":453},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3',4',7-Trihydroxyisoflavone - 10eV","exact_mass":270.052823,"inchikey":"DDKGKOOLFLYZDL-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.045,"smiles":"c1cc(c(cc1c2coc3cc(ccc3c2=O)O)O)O","spectrum_id":"CCMSLIB00004683925","spectrum_index":454},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,7-Dimethoxy-4'-hydroxyflavanone - 20eV","exact_mass":300.099774,"inchikey":"REBBZOCNEVVAPX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.09,"smiles":"COc1cc2c(c(c1)OC)C(=O)CC(O2)c3ccc(cc3)O","spectrum_id":"CCMSLIB00004683926","spectrum_index":455},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,7-Dimethoxy-4'-hydroxyflavanone - 10eV","exact_mass":300.099774,"inchikey":"REBBZOCNEVVAPX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.092,"smiles":"COc1cc2c(c(c1)OC)C(=O)CC(O2)c3ccc(cc3)O","spectrum_id":"CCMSLIB00004683927","spectrum_index":456},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,7-Dimethoxy-4'-hydroxyflavanone - 10eV","exact_mass":300.099774,"inchikey":"REBBZOCNEVVAPX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.092,"smiles":"COc1cc2c(c(c1)OC)C(=O)CC(O2)c3ccc(cc3)O","spectrum_id":"CCMSLIB00004683929","spectrum_index":457},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,7-Dimethoxy-4'-hydroxyflavanone - 20eV","exact_mass":300.099774,"inchikey":"REBBZOCNEVVAPX-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.09,"smiles":"COc1cc2c(c(c1)OC)C(=O)CC(O2)c3ccc(cc3)O","spectrum_id":"CCMSLIB00004683930","spectrum_index":458},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,4'-Dihydroxy-7-methoxyflavone (Genkwanin, 7-methoxyapigenin) - 20eV","exact_mass":284.068473,"inchikey":"JPMYFOBNRRGFNO-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.059,"smiles":"COc1cc(c2c(=O)cc(oc2c1)c3ccc(cc3)O)O","spectrum_id":"CCMSLIB00004683931","spectrum_index":459},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,4'-Dihydroxy-7-methoxyflavone (Genkwanin, 7-methoxyapigenin) - 30eV","exact_mass":284.068473,"inchikey":"JPMYFOBNRRGFNO-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.058,"smiles":"COc1cc(c2c(=O)cc(oc2c1)c3ccc(cc3)O)O","spectrum_id":"CCMSLIB00004683932","spectrum_index":460},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5,4'-Dihydroxy-7-methoxyflavone (Genkwanin, 7-methoxyapigenin) - 10eV","exact_mass":284.068473,"inchikey":"JPMYFOBNRRGFNO-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.059,"smiles":"COc1cc(c2c(=O)cc(oc2c1)c3ccc(cc3)O)O","spectrum_id":"CCMSLIB00004683933","spectrum_index":461},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Hydroxy-3(4-methoxyphenyl) coumarin - 10eV","exact_mass":268.073559,"inchikey":"VGYCHSOZFBOOKO-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.066,"smiles":"COc1ccc(cc1)c2cc3ccc(cc3oc2=O)O","spectrum_id":"CCMSLIB00004683942","spectrum_index":462},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Hydroxy-3(4-methoxyphenyl) coumarin - 20eV","exact_mass":268.073559,"inchikey":"VGYCHSOZFBOOKO-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.066,"smiles":"COc1ccc(cc1)c2cc3ccc(cc3oc2=O)O","spectrum_id":"CCMSLIB00004683943","spectrum_index":463},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"7-Hydroxy-3(4-methoxyphenyl) coumarin - 30eV","exact_mass":268.073559,"inchikey":"VGYCHSOZFBOOKO-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.066,"smiles":"COc1ccc(cc1)c2cc3ccc(cc3oc2=O)O","spectrum_id":"CCMSLIB00004683944","spectrum_index":464},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4-Hydroxy-2',4',6'-trimethoxychalcone (Flavokawain A?) - 10eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.109,"smiles":null,"spectrum_id":"CCMSLIB00004683946","spectrum_index":465},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4-Hydroxy-2',4',6'-trimethoxychalcone (Flavokawain A?) - 20eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.109,"smiles":null,"spectrum_id":"CCMSLIB00004683947","spectrum_index":466},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4-Hydroxy-2',4',6'-trimethoxychalcone (Flavokawain A?) - 30eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.109,"smiles":null,"spectrum_id":"CCMSLIB00004683948","spectrum_index":467},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4-Hydroxy-2',4',6'-trimethoxychalcone (Flavokawain A?) - 40eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.1,"smiles":null,"spectrum_id":"CCMSLIB00004683949","spectrum_index":468},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4-Hydroxy-2',4',6'-trimethoxychalcone (Flavokawain A?) - 50eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":313.1,"smiles":null,"spectrum_id":"CCMSLIB00004683950","spectrum_index":469},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3'-Hydroxyflavone - 10eV","exact_mass":238.062994,"inchikey":"ISZWRZGKEWQACU-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.057,"smiles":"c1ccc2c(c1)c(=O)cc(o2)c3cccc(c3)O","spectrum_id":"CCMSLIB00004683951","spectrum_index":470},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3'-Hydroxyflavone - 30eV","exact_mass":238.062994,"inchikey":"ISZWRZGKEWQACU-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.057,"smiles":"c1ccc2c(c1)c(=O)cc(o2)c3cccc(c3)O","spectrum_id":"CCMSLIB00004683952","spectrum_index":471},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3'-Hydroxyflavone - 20eV","exact_mass":238.062994,"inchikey":"ISZWRZGKEWQACU-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":237.057,"smiles":"c1ccc2c(c1)c(=O)cc(o2)c3cccc(c3)O","spectrum_id":"CCMSLIB00004683953","spectrum_index":472},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2',4'-Dihydroxychalcone - 30eV","exact_mass":240.078644,"inchikey":"JUMSUVHHUVPSOY-RMKNXTFCSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.07,"smiles":"c1ccc(cc1)/C=C/C(=O)c2ccc(cc2O)O","spectrum_id":"CCMSLIB00004683955","spectrum_index":473},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2',4'-Dihydroxychalcone - 20eV","exact_mass":240.078644,"inchikey":"JUMSUVHHUVPSOY-RMKNXTFCSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.071,"smiles":"c1ccc(cc1)/C=C/C(=O)c2ccc(cc2O)O","spectrum_id":"CCMSLIB00004683956","spectrum_index":474},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2',4'-Dihydroxychalcone - 10eV","exact_mass":240.078644,"inchikey":"JUMSUVHHUVPSOY-RMKNXTFCSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":239.071,"smiles":"c1ccc(cc1)/C=C/C(=O)c2ccc(cc2O)O","spectrum_id":"CCMSLIB00004683957","spectrum_index":475},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Homoeriodictyol - 20eV","exact_mass":302.079038,"inchikey":"FTODBIPDTXRIGS-ZDUSSCGKSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.072,"smiles":"COc1cc(ccc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O","spectrum_id":"CCMSLIB00004683964","spectrum_index":476},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Homoeriodictyol - 10eV","exact_mass":302.079038,"inchikey":"FTODBIPDTXRIGS-ZDUSSCGKSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.072,"smiles":"COc1cc(ccc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O","spectrum_id":"CCMSLIB00004683965","spectrum_index":477},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Homoeriodictyol - 30eV","exact_mass":302.079038,"inchikey":"FTODBIPDTXRIGS-ZDUSSCGKSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.073,"smiles":"COc1cc(ccc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O","spectrum_id":"CCMSLIB00004683966","spectrum_index":478},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glycyrrhizic acid - 20eV","exact_mass":822.403786,"inchikey":"LPLVUJXQOOQHMX-QWBHMCJMSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":821.393,"smiles":"C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O","spectrum_id":"CCMSLIB00004683967","spectrum_index":479},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glycyrrhizic acid - 10eV","exact_mass":822.403786,"inchikey":"LPLVUJXQOOQHMX-QWBHMCJMSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":821.395,"smiles":"C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O","spectrum_id":"CCMSLIB00004683968","spectrum_index":480},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glycyrrhizic acid - 30eV","exact_mass":822.403786,"inchikey":"LPLVUJXQOOQHMX-QWBHMCJMSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":821.394,"smiles":"C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O","spectrum_id":"CCMSLIB00004683970","spectrum_index":481},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glycyrrhizic acid - 40eV","exact_mass":822.403786,"inchikey":"LPLVUJXQOOQHMX-QWBHMCJMSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":821.393,"smiles":"C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O","spectrum_id":"CCMSLIB00004683971","spectrum_index":482},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glycyrrhizic acid - 50eV","exact_mass":822.403786,"inchikey":"LPLVUJXQOOQHMX-QWBHMCJMSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":821.393,"smiles":"C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O","spectrum_id":"CCMSLIB00004683972","spectrum_index":483},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glycyrrhizic acid - 60eV","exact_mass":822.403786,"inchikey":"LPLVUJXQOOQHMX-QWBHMCJMSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":821.396,"smiles":"C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O","spectrum_id":"CCMSLIB00004683973","spectrum_index":484},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Medicagenic acid - 20eV","exact_mass":502.329439,"inchikey":"IDGXIXSKISLYAC-WNTKNEGGSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":501.32,"smiles":"C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O)O)C","spectrum_id":"CCMSLIB00004683974","spectrum_index":485},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Medicagenic acid - 30eV","exact_mass":502.329439,"inchikey":"IDGXIXSKISLYAC-WNTKNEGGSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":501.32,"smiles":"C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O)O)C","spectrum_id":"CCMSLIB00004683975","spectrum_index":486},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Medicagenic acid - 40eV","exact_mass":502.329439,"inchikey":"IDGXIXSKISLYAC-WNTKNEGGSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":501.32,"smiles":"C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O)O)C","spectrum_id":"CCMSLIB00004683976","spectrum_index":487},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Medicagenic acid - 50eV","exact_mass":502.329439,"inchikey":"IDGXIXSKISLYAC-WNTKNEGGSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":501.32,"smiles":"C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O)O)C","spectrum_id":"CCMSLIB00004683977","spectrum_index":488},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Medicagenic acid - 10eV","exact_mass":502.329439,"inchikey":"IDGXIXSKISLYAC-WNTKNEGGSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":501.32,"smiles":"C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O)O)C","spectrum_id":"CCMSLIB00004683978","spectrum_index":489},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2'-Hydroxy-4'-methoxychalcone - 10eV","exact_mass":254.094294,"inchikey":"GUNGQVJAKLIYDG-JXMROGBWSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.087,"smiles":"COc1ccc(c(c1)O)C(=O)/C=C/c2ccccc2","spectrum_id":"CCMSLIB00004683982","spectrum_index":490},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2'-Hydroxy-4'-methoxychalcone - 20eV","exact_mass":254.094294,"inchikey":"GUNGQVJAKLIYDG-JXMROGBWSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.087,"smiles":"COc1ccc(c(c1)O)C(=O)/C=C/c2ccccc2","spectrum_id":"CCMSLIB00004683983","spectrum_index":491},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2'-Hydroxy-4'-methoxychalcone - 30eV","exact_mass":254.094294,"inchikey":"GUNGQVJAKLIYDG-JXMROGBWSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.1,"smiles":"COc1ccc(c(c1)O)C(=O)/C=C/c2ccccc2","spectrum_id":"CCMSLIB00004683984","spectrum_index":492},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2'-Hydroxy-4-methoxychalcone - 40eV","exact_mass":254.094294,"inchikey":"NXBNYUSXDBHELA-DHZHZOJOSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.1,"smiles":"COc1ccc(cc1)/C=C/C(=O)c2ccccc2O","spectrum_id":"CCMSLIB00004683985","spectrum_index":493},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2'-Hydroxy-4-methoxychalcone - 10eV","exact_mass":254.094294,"inchikey":"NXBNYUSXDBHELA-DHZHZOJOSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.086,"smiles":"COc1ccc(cc1)/C=C/C(=O)c2ccccc2O","spectrum_id":"CCMSLIB00004683986","spectrum_index":494},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2'-Hydroxy-4-methoxychalcone - 20eV","exact_mass":254.094294,"inchikey":"NXBNYUSXDBHELA-DHZHZOJOSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.087,"smiles":"COc1ccc(cc1)/C=C/C(=O)c2ccccc2O","spectrum_id":"CCMSLIB00004683987","spectrum_index":495},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2'-Hydroxy-4-methoxychalcone - 30eV","exact_mass":254.094294,"inchikey":"NXBNYUSXDBHELA-DHZHZOJOSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.1,"smiles":"COc1ccc(cc1)/C=C/C(=O)c2ccccc2O","spectrum_id":"CCMSLIB00004683988","spectrum_index":496},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3',4',7,8-Tetrahydroxyflavanone - 10eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.042,"smiles":null,"spectrum_id":"CCMSLIB00004683989","spectrum_index":497},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3',4',7,8-Tetrahydroxyflavanone - 20eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.041,"smiles":null,"spectrum_id":"CCMSLIB00004683990","spectrum_index":498},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3',4',7,8-Tetrahydroxyflavanone - 30eV","exact_mass":0.0,"inchikey":null,"instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.0,"smiles":null,"spectrum_id":"CCMSLIB00004683991","spectrum_index":499},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Apiin - 10eV","exact_mass":564.147906,"inchikey":"FDRBRRBUPLHXEM-PUVROTEMSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.143,"smiles":"c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OC5[C@@H]([C@](CO5)(CO)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004683994","spectrum_index":500},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Apiin - 30eV","exact_mass":564.147906,"inchikey":"FDRBRRBUPLHXEM-PUVROTEMSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.14,"smiles":"c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OC5[C@@H]([C@](CO5)(CO)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004683995","spectrum_index":501},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Apiin - 20eV","exact_mass":564.147906,"inchikey":"FDRBRRBUPLHXEM-PUVROTEMSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.141,"smiles":"c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OC5[C@@H]([C@](CO5)(CO)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004683996","spectrum_index":502},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Apiin - 40eV","exact_mass":564.147906,"inchikey":"FDRBRRBUPLHXEM-PUVROTEMSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":563.14,"smiles":"c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OC5[C@@H]([C@](CO5)(CO)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004683997","spectrum_index":503},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Kaempferol-7-O-glucoside - 20eV","exact_mass":448.100561,"inchikey":"YPWHZCPMOQGCDQ-HMGRVEAOSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.093,"smiles":"C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684007","spectrum_index":504},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Kaempferol-7-O-glucoside - 30eV","exact_mass":448.100561,"inchikey":"YPWHZCPMOQGCDQ-HMGRVEAOSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.093,"smiles":"C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684008","spectrum_index":505},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Kaempferol-7-O-glucoside - 40eV","exact_mass":448.100561,"inchikey":"YPWHZCPMOQGCDQ-HMGRVEAOSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.1,"smiles":"C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684010","spectrum_index":506},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Kaempferol-7-O-glucoside - 50eV","exact_mass":448.100561,"inchikey":"YPWHZCPMOQGCDQ-HMGRVEAOSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":447.1,"smiles":"C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684011","spectrum_index":507},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Silymarin 10.15 min - 20eV","exact_mass":482.121297,"inchikey":"SEBFKMXJBCUCAI-WAABAYLZSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":481.115,"smiles":"COc1cc(ccc1O)[C@H]2[C@@H](Oc3ccc(cc3O2)[C@@H]4[C@H](C(=O)c5c(cc(cc5O4)O)O)O)CO","spectrum_id":"CCMSLIB00004684012","spectrum_index":508},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,7,3',4'-Tetrahydroxyflavanone (Fustin) - 10eV","exact_mass":288.063388,"inchikey":"FNUPUYFWZXZMIE-LSDHHAIUSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.056,"smiles":"c1cc(c(cc1[C@@H]2[C@H](C(=O)c3ccc(cc3O2)O)O)O)O","spectrum_id":"CCMSLIB00004684016","spectrum_index":509},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hesperidin - 40eV","exact_mass":610.18977,"inchikey":"QUQPHWDTPGMPEX-QJBIFVCTSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.2,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)OC)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684019","spectrum_index":510},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hesperidin - 10eV","exact_mass":610.18977,"inchikey":"QUQPHWDTPGMPEX-QJBIFVCTSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.187,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)OC)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684020","spectrum_index":511},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hesperidin - 20eV","exact_mass":610.18977,"inchikey":"QUQPHWDTPGMPEX-QJBIFVCTSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.183,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)OC)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684021","spectrum_index":512},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hesperidin - 50eV","exact_mass":610.18977,"inchikey":"QUQPHWDTPGMPEX-QJBIFVCTSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.2,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)OC)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684022","spectrum_index":513},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hesperidin - 30eV","exact_mass":610.18977,"inchikey":"QUQPHWDTPGMPEX-QJBIFVCTSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.184,"smiles":"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)OC)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684023","spectrum_index":514},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,6,2',4'-Tetrahydroxyflavone - 10eV","exact_mass":286.047738,"inchikey":"DNISTMYBAOCXPD-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.04,"smiles":"c1cc(c(cc1O)O)c2c(c(=O)c3cc(ccc3o2)O)O","spectrum_id":"CCMSLIB00004684024","spectrum_index":515},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3,6,2',4'-Tetrahydroxyflavone - 20eV","exact_mass":286.047738,"inchikey":"DNISTMYBAOCXPD-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.041,"smiles":"c1cc(c(cc1O)O)c2c(c(=O)c3cc(ccc3o2)O)O","spectrum_id":"CCMSLIB00004684025","spectrum_index":516},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Decanoic acid - 10eV","exact_mass":172.14633,"inchikey":"GHVNFZFCNZKVNT-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":171.139,"smiles":"CCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684027","spectrum_index":517},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pentadecanoic acid - 20eV","exact_mass":242.22458,"inchikey":"WQEPLUUGTLDZJY-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":241.217,"smiles":"CCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684029","spectrum_index":518},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pentadecanoic acid - 30eV","exact_mass":242.22458,"inchikey":"WQEPLUUGTLDZJY-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":241.216,"smiles":"CCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684030","spectrum_index":519},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pentadecanoic acid - 10eV","exact_mass":242.22458,"inchikey":"WQEPLUUGTLDZJY-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":241.217,"smiles":"CCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684031","spectrum_index":520},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Myristic acid - 30eV","exact_mass":228.20893,"inchikey":"TUNFSRHWOTWDNC-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":227.202,"smiles":"CCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684032","spectrum_index":521},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Myristic acid - 10eV","exact_mass":228.20893,"inchikey":"TUNFSRHWOTWDNC-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":227.202,"smiles":"CCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684033","spectrum_index":522},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Myristic acid - 20eV","exact_mass":228.20893,"inchikey":"TUNFSRHWOTWDNC-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":227.202,"smiles":"CCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684034","spectrum_index":523},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Tridecanoic acid - 20eV","exact_mass":214.19328,"inchikey":"SZHOJFHSIKHZHA-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":213.187,"smiles":"CCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684035","spectrum_index":524},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Tridecanoic acid - 10eV","exact_mass":214.19328,"inchikey":"SZHOJFHSIKHZHA-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":213.188,"smiles":"CCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684036","spectrum_index":525},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Undecanoic acid - 10eV","exact_mass":186.16198,"inchikey":"ZDPHROOEEOARMN-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":185.155,"smiles":"CCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684037","spectrum_index":526},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Undecanoic acid - 20eV","exact_mass":186.16198,"inchikey":"ZDPHROOEEOARMN-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":185.154,"smiles":"CCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684038","spectrum_index":527},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Behenic acid - 10eV","exact_mass":340.334131,"inchikey":"UKMSUNONTOPOIO-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.328,"smiles":"CCCCCCCCCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684040","spectrum_index":528},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Behenic acid - 30eV","exact_mass":340.334131,"inchikey":"UKMSUNONTOPOIO-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.327,"smiles":"CCCCCCCCCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684041","spectrum_index":529},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Behenic acid - 20eV","exact_mass":340.334131,"inchikey":"UKMSUNONTOPOIO-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":339.328,"smiles":"CCCCCCCCCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684042","spectrum_index":530},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Catechin gallate - 30eV","exact_mass":442.089997,"inchikey":"LSHVYAFMTMFKBA-CTNGQTDRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.082,"smiles":"c1cc(c(cc1[C@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O","spectrum_id":"CCMSLIB00004684043","spectrum_index":531},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Catechin gallate - 20eV","exact_mass":442.089997,"inchikey":"LSHVYAFMTMFKBA-CTNGQTDRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.083,"smiles":"c1cc(c(cc1[C@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O","spectrum_id":"CCMSLIB00004684044","spectrum_index":532},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Catechin gallate - 10eV","exact_mass":442.089997,"inchikey":"LSHVYAFMTMFKBA-CTNGQTDRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.085,"smiles":"c1cc(c(cc1[C@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O","spectrum_id":"CCMSLIB00004684045","spectrum_index":533},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Catechin gallate - 40eV","exact_mass":442.089997,"inchikey":"LSHVYAFMTMFKBA-CTNGQTDRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":441.09,"smiles":"c1cc(c(cc1[C@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O","spectrum_id":"CCMSLIB00004684046","spectrum_index":534},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Epigallocatechin gallate - 10eV","exact_mass":458.084911,"inchikey":"WMBWREPUVVBILR-WIYYLYMNSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.083,"smiles":"c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O","spectrum_id":"CCMSLIB00004684047","spectrum_index":535},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Epigallocatechin gallate - 40eV","exact_mass":458.084911,"inchikey":"WMBWREPUVVBILR-WIYYLYMNSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.08,"smiles":"c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O","spectrum_id":"CCMSLIB00004684048","spectrum_index":536},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Epigallocatechin gallate - 20eV","exact_mass":458.084911,"inchikey":"WMBWREPUVVBILR-WIYYLYMNSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.083,"smiles":"c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O","spectrum_id":"CCMSLIB00004684049","spectrum_index":537},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Epigallocatechin gallate - 50eV","exact_mass":458.084911,"inchikey":"WMBWREPUVVBILR-WIYYLYMNSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.08,"smiles":"c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O","spectrum_id":"CCMSLIB00004684050","spectrum_index":538},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Epigallocatechin gallate - 30eV","exact_mass":458.084911,"inchikey":"WMBWREPUVVBILR-WIYYLYMNSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":457.08,"smiles":"c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O","spectrum_id":"CCMSLIB00004684051","spectrum_index":539},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Gallocatechin - 40eV","exact_mass":306.073953,"inchikey":"XMOCLSLCDHWDHP-DOMZBBRYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.06,"smiles":"C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O","spectrum_id":"CCMSLIB00004684052","spectrum_index":540},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Gallocatechin - 30eV","exact_mass":306.073953,"inchikey":"XMOCLSLCDHWDHP-DOMZBBRYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.066,"smiles":"C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O","spectrum_id":"CCMSLIB00004684053","spectrum_index":541},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Gallocatechin - 10eV","exact_mass":306.073953,"inchikey":"XMOCLSLCDHWDHP-DOMZBBRYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.069,"smiles":"C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O","spectrum_id":"CCMSLIB00004684054","spectrum_index":542},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Gallocatechin - 20eV","exact_mass":306.073953,"inchikey":"XMOCLSLCDHWDHP-DOMZBBRYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.067,"smiles":"C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O","spectrum_id":"CCMSLIB00004684055","spectrum_index":543},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Heptadecanoic acid - 20eV","exact_mass":270.25588,"inchikey":"KEMQGTRYUADPNZ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.249,"smiles":"CCCCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684056","spectrum_index":544},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Heptadecanoic acid - 30eV","exact_mass":270.25588,"inchikey":"KEMQGTRYUADPNZ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.248,"smiles":"CCCCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684057","spectrum_index":545},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Heptadecanoic acid - 10eV","exact_mass":270.25588,"inchikey":"KEMQGTRYUADPNZ-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.25,"smiles":"CCCCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684058","spectrum_index":546},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Tricosanoic acid - 30eV","exact_mass":354.349781,"inchikey":"XEZVDURJDFGERA-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.341,"smiles":"CCCCCCCCCCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684061","spectrum_index":547},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Tricosanoic acid - 10eV","exact_mass":354.349781,"inchikey":"XEZVDURJDFGERA-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.343,"smiles":"CCCCCCCCCCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684062","spectrum_index":548},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Tricosanoic acid - 20eV","exact_mass":354.349781,"inchikey":"XEZVDURJDFGERA-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.342,"smiles":"CCCCCCCCCCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684063","spectrum_index":549},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Lignoceric acid - 20eV","exact_mass":368.365431,"inchikey":"QZZGJDVWLFXDLK-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":367.36,"smiles":"CCCCCCCCCCCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684070","spectrum_index":550},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Stearic acid - 10eV","exact_mass":284.27153,"inchikey":"QIQXTHQIDYTFRH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.266,"smiles":"CCCCCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684073","spectrum_index":551},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Stearic acid - 20eV","exact_mass":284.27153,"inchikey":"QIQXTHQIDYTFRH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.265,"smiles":"CCCCCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684074","spectrum_index":552},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Stearic acid - 30eV","exact_mass":284.27153,"inchikey":"QIQXTHQIDYTFRH-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.265,"smiles":"CCCCCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684075","spectrum_index":553},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Heneicosanoic acid - 10eV","exact_mass":326.318481,"inchikey":"CKDDRHZIAZRDBW-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.314,"smiles":"CCCCCCCCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684077","spectrum_index":554},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Heneicosanoic acid - 20eV","exact_mass":326.318481,"inchikey":"CKDDRHZIAZRDBW-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.313,"smiles":"CCCCCCCCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684078","spectrum_index":555},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Heneicosanoic acid - 30eV","exact_mass":326.318481,"inchikey":"CKDDRHZIAZRDBW-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":325.313,"smiles":"CCCCCCCCCCCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684079","spectrum_index":556},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Procyanidin B2 - 50eV","exact_mass":578.142426,"inchikey":"XFZJEEAOWLFHDH-NFJBMHMQSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.14,"smiles":"c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc(cc5O[C@@H]([C@@H]4O)c6ccc(c(c6)O)O)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684080","spectrum_index":557},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Procyanidin B2 - 10eV","exact_mass":578.142426,"inchikey":"XFZJEEAOWLFHDH-NFJBMHMQSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.137,"smiles":"c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc(cc5O[C@@H]([C@@H]4O)c6ccc(c(c6)O)O)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684081","spectrum_index":558},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Procyanidin B2 - 20eV","exact_mass":578.142426,"inchikey":"XFZJEEAOWLFHDH-NFJBMHMQSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.136,"smiles":"c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc(cc5O[C@@H]([C@@H]4O)c6ccc(c(c6)O)O)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684082","spectrum_index":559},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Procyanidin B2 - 30eV","exact_mass":578.142426,"inchikey":"XFZJEEAOWLFHDH-NFJBMHMQSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.135,"smiles":"c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc(cc5O[C@@H]([C@@H]4O)c6ccc(c(c6)O)O)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684083","spectrum_index":560},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Procyanidin B1 - 40eV","exact_mass":578.142426,"inchikey":"XFZJEEAOWLFHDH-UKWJTHFESA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.14,"smiles":"c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc(cc5O[C@@H]([C@@H]4O)c6ccc(c(c6)O)O)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684085","spectrum_index":561},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Procyanidin B1 - 10eV","exact_mass":578.142426,"inchikey":"XFZJEEAOWLFHDH-UKWJTHFESA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.137,"smiles":"c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc(cc5O[C@@H]([C@@H]4O)c6ccc(c(c6)O)O)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684086","spectrum_index":562},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Procyanidin B1 - 30eV","exact_mass":578.142426,"inchikey":"XFZJEEAOWLFHDH-UKWJTHFESA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.136,"smiles":"c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc(cc5O[C@@H]([C@@H]4O)c6ccc(c(c6)O)O)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684087","spectrum_index":563},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Procyanidin B1 - 20eV","exact_mass":578.142426,"inchikey":"XFZJEEAOWLFHDH-UKWJTHFESA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.136,"smiles":"c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc(cc5O[C@@H]([C@@H]4O)c6ccc(c(c6)O)O)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684088","spectrum_index":564},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Procyanidin B1 - 50eV","exact_mass":578.142426,"inchikey":"XFZJEEAOWLFHDH-UKWJTHFESA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":577.14,"smiles":"c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc(cc5O[C@@H]([C@@H]4O)c6ccc(c(c6)O)O)O)O)O)O)O)O)O","spectrum_id":"CCMSLIB00004684089","spectrum_index":565},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Epigallocatechin - 10eV","exact_mass":306.073953,"inchikey":"XMOCLSLCDHWDHP-IUODEOHRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.067,"smiles":"c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O","spectrum_id":"CCMSLIB00004684090","spectrum_index":566},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Epigallocatechin - 30eV","exact_mass":306.073953,"inchikey":"XMOCLSLCDHWDHP-IUODEOHRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.068,"smiles":"c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O","spectrum_id":"CCMSLIB00004684091","spectrum_index":567},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Epigallocatechin - 20eV","exact_mass":306.073953,"inchikey":"XMOCLSLCDHWDHP-IUODEOHRSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.067,"smiles":"c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O","spectrum_id":"CCMSLIB00004684092","spectrum_index":568},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dihydrokaempferol - 10eV","exact_mass":288.063388,"inchikey":"PADQINQHPQKXNL-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.06,"smiles":"c1cc(ccc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O","spectrum_id":"CCMSLIB00004684095","spectrum_index":569},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dihydrokaempferol - 20eV","exact_mass":288.063388,"inchikey":"PADQINQHPQKXNL-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.058,"smiles":"c1cc(ccc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O","spectrum_id":"CCMSLIB00004684096","spectrum_index":570},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dihydrokaempferol - 30eV","exact_mass":288.063388,"inchikey":"PADQINQHPQKXNL-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.059,"smiles":"c1cc(ccc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O","spectrum_id":"CCMSLIB00004684097","spectrum_index":571},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Oroxylin A - 20eV","exact_mass":284.068473,"inchikey":"LKOJGSWUMISDOF-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.06,"smiles":"COc1c(cc2c(c1O)c(=O)cc(o2)c3ccccc3)O","spectrum_id":"CCMSLIB00004684098","spectrum_index":572},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Oroxylin A - 10eV","exact_mass":284.068473,"inchikey":"LKOJGSWUMISDOF-UHFFFAOYSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.06,"smiles":"COc1c(cc2c(c1O)c(=O)cc(o2)c3ccccc3)O","spectrum_id":"CCMSLIB00004684102","spectrum_index":573},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Hydroxy-4-methoxycinnamic acid (isoferulic acid) - 10eV","exact_mass":194.057909,"inchikey":"QURCVMIEKCOAJU-HWKANZROSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":193.051,"smiles":"COc1ccc(cc1O)/C=C/C(=O)O","spectrum_id":"CCMSLIB00004684104","spectrum_index":574},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"y-Linolenic acid - 20eV","exact_mass":278.22458,"inchikey":"VZCCETWTMQHEPK-QNEBEIHSSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.218,"smiles":"CCCCC/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O","spectrum_id":"CCMSLIB00004684108","spectrum_index":575},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"y-Linolenic acid - 30eV","exact_mass":278.22458,"inchikey":"VZCCETWTMQHEPK-QNEBEIHSSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.219,"smiles":"CCCCC/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O","spectrum_id":"CCMSLIB00004684109","spectrum_index":576},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Arachidonic acid - 10eV","exact_mass":304.24023,"inchikey":"YZXBAPSDXZZRGB-DOFZRALJSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.233,"smiles":"CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O","spectrum_id":"CCMSLIB00004684111","spectrum_index":577},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Arachidonic acid - 20eV","exact_mass":304.24023,"inchikey":"YZXBAPSDXZZRGB-DOFZRALJSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.233,"smiles":"CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O","spectrum_id":"CCMSLIB00004684112","spectrum_index":578},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Arachidonic acid - 30eV","exact_mass":304.24023,"inchikey":"YZXBAPSDXZZRGB-DOFZRALJSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":303.233,"smiles":"CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O","spectrum_id":"CCMSLIB00004684113","spectrum_index":579},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Linoelaidic acid - 30eV","exact_mass":280.24023,"inchikey":"OYHQOLUKZRVURQ-AVQMFFATSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.233,"smiles":"CCCCC/C=C/C/C=C/CCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684116","spectrum_index":580},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Trans-Vaccenic acid - 30eV","exact_mass":282.25588,"inchikey":"UWHZIFQPPBDJPM-BQYQJAHWSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.248,"smiles":"CCCCCC/C=C/CCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684124","spectrum_index":581},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"10E, 12Z-Linoleic acid - 30eV","exact_mass":280.24023,"inchikey":"JBYXPOFIGCOSSB-UQGDGPGGSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.234,"smiles":"CCCCCC/C=C\\C=C\\CCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684127","spectrum_index":582},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"9-Trans-Palmitelaidic acid - 30eV","exact_mass":254.22458,"inchikey":"SECPZKHBENQXJG-BQYQJAHWSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.217,"smiles":"CCCCCC/C=C/CCCCCCCC(=O)O","spectrum_id":"CCMSLIB00004684133","spectrum_index":583},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pinolenic acid - 20eV","exact_mass":278.22458,"inchikey":"HXQHFNIKBKZGRP-URPRIDOGSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.218,"smiles":"CCCCC/C=C\\C/C=C\\CC/C=C\\CCCC(=O)O","spectrum_id":"CCMSLIB00004684135","spectrum_index":584},{"adduct":"[M-H]-","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pinolenic acid - 30eV","exact_mass":278.22458,"inchikey":"HXQHFNIKBKZGRP-URPRIDOGSA-N","instrument":"impact HD","instrument_model":null,"instrument_vendor":null,"ion_mode":"Negative","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.218,"smiles":"CCCCC/C=C\\C/C=C\\CC/C=C\\CCCC(=O)O","spectrum_id":"CCMSLIB00004684136","spectrum_index":585}]