[{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Chenodeoxycholyl-a-alanine-amino-butyrate_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":620.440052,"inchikey":"LVUGXDZRAHHBPJ-JDKXNYAASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":621.445,"smiles":"CCC(NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390009","spectrum_index":0},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Chenodeoxycholyl-a-alanine-amino-butyrate_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":620.440052,"inchikey":"LVUGXDZRAHHBPJ-JDKXNYAASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":621.449,"smiles":"CCC(NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390010","spectrum_index":1},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Hydroxybutyric acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":247.141973,"inchikey":"UEFRDQSMQXDWTO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":248.149,"smiles":"CC(O)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390011","spectrum_index":2},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Hydroxybutyric acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":247.141973,"inchikey":"UEFRDQSMQXDWTO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":248.149,"smiles":"CC(O)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390012","spectrum_index":3},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390013","spectrum_index":4},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390014","spectrum_index":5},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Ferulic acid_Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":337.152537,"inchikey":"KTVJIVAVRXOCQA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":338.159,"smiles":"COc1cc(/C=C/C(=O)OC(CC(=O)[O-])C[N+](C)(C)C)ccc1O","spectrum_id":"CCMSLIB00017390015","spectrum_index":6},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390016","spectrum_index":7},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390017","spectrum_index":8},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_2-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 0)","exact_mass":331.189592,"inchikey":"KSACJJNYDCHXHY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":332.197,"smiles":"CC(CCC(=O)NCCc1c[nH]c2ccc(O)cc12)C(=O)N(C)C","spectrum_id":"CCMSLIB00017390018","spectrum_index":9},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_hex-3-enedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":329.173942,"inchikey":"XDFOWQWPLLXNGI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.182,"smiles":"CN(C)C(=O)CC=CCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390021","spectrum_index":10},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":415.283492,"inchikey":"JBFRLPUEWGDQHP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":416.289,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390022","spectrum_index":11},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":415.283492,"inchikey":"JBFRLPUEWGDQHP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":416.291,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390023","spectrum_index":12},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":415.283492,"inchikey":"JBFRLPUEWGDQHP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":416.291,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390024","spectrum_index":13},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_2-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 0)","exact_mass":331.189592,"inchikey":"JBPBJVBOMYYOHG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":332.197,"smiles":"CC(CCC(=O)N(C)C)C(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390025","spectrum_index":14},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_3-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 0)","exact_mass":331.189592,"inchikey":"XOITZTBRPXKPPO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":332.197,"smiles":"CC(CC(=O)NCCc1c[nH]c2ccc(O)cc12)CC(=O)N(C)C","spectrum_id":"CCMSLIB00017390027","spectrum_index":15},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_pimelic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":345.205242,"inchikey":"LWFSPBJUOQIAIC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.214,"smiles":"CN(C)C(=O)CCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390029","spectrum_index":16},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_adipic acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 0)","exact_mass":331.189592,"inchikey":"RITIHRXWENDZST-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":332.197,"smiles":"CN(C)C(=O)CCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390030","spectrum_index":17},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Serotonin_1,11-undecanedicarboxylic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)\"","exact_mass":401.267842,"inchikey":"CFHLPAQRZKXWRG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.275,"smiles":"CN(C)C(=O)CCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390032","spectrum_index":18},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Serotonin_1,11-undecanedicarboxylic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)\"","exact_mass":401.267842,"inchikey":"CFHLPAQRZKXWRG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.275,"smiles":"CN(C)C(=O)CCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390033","spectrum_index":19},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Serotonin_1,11-undecanedicarboxylic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)\"","exact_mass":401.267842,"inchikey":"CFHLPAQRZKXWRG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":402.275,"smiles":"CN(C)C(=O)CCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390034","spectrum_index":20},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_mesaconic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":429.299142,"inchikey":"ZFDDMMJJYNFAJF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":430.307,"smiles":"CN(C)C(=O)CCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390035","spectrum_index":21},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_mesaconic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":429.299142,"inchikey":"ZFDDMMJJYNFAJF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":430.306,"smiles":"CN(C)C(=O)CCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390036","spectrum_index":22},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_mesaconic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":429.299142,"inchikey":"ZFDDMMJJYNFAJF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":430.307,"smiles":"CN(C)C(=O)CCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390037","spectrum_index":23},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_sebacic-acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":387.252192,"inchikey":"VNVFSUUDLAHYTM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":388.258,"smiles":"CN(C)C(=O)CCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390040","spectrum_index":24},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_sebacic-acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":387.252192,"inchikey":"VNVFSUUDLAHYTM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":388.26,"smiles":"CN(C)C(=O)CCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390041","spectrum_index":25},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_azelic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":373.236542,"inchikey":"LUNFYCGLFJFCIH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.243,"smiles":"CN(C)C(=O)CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390042","spectrum_index":26},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_azelic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":373.236542,"inchikey":"LUNFYCGLFJFCIH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":374.244,"smiles":"CN(C)C(=O)CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390043","spectrum_index":27},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_azelic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":373.236542,"inchikey":"LUNFYCGLFJFCIH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":396.224,"smiles":"CN(C)C(=O)CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390044","spectrum_index":28},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Serotonin_suberic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":359.220892,"inchikey":"GREPHVZFBLBKDK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":360.228,"smiles":"CN(C)C(=O)CCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017390046","spectrum_index":29},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-Pyroglutamic acid_malic acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":272.100836,"inchikey":"ZPWXIIJRJUPAIU-PKPIPKONSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.108,"smiles":"CN(C)C(=O)[C@@H]1CCC(=O)N1C(=O)C(O)CC(=O)O","spectrum_id":"CCMSLIB00017390047","spectrum_index":30},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-Pyroglutamic acid_malic acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":272.100836,"inchikey":"ZPWXIIJRJUPAIU-PKPIPKONSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.108,"smiles":"CN(C)C(=O)[C@@H]1CCC(=O)N1C(=O)C(O)CC(=O)O","spectrum_id":"CCMSLIB00017390048","spectrum_index":31},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-Pyroglutamic acid_malic acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":272.100836,"inchikey":"FOGFFNJPLCDRQX-PKPIPKONSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.108,"smiles":"CN(C)C(=O)[C@@H]1CCC(=O)N1C(=O)CC(O)C(=O)O","spectrum_id":"CCMSLIB00017390049","spectrum_index":32},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-Pyroglutamic acid_malic acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":272.100836,"inchikey":"FOGFFNJPLCDRQX-PKPIPKONSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.108,"smiles":"CN(C)C(=O)[C@@H]1CCC(=O)N1C(=O)CC(O)C(=O)O","spectrum_id":"CCMSLIB00017390050","spectrum_index":33},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-Pyroglutamic acid_malic acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":272.100836,"inchikey":"FKJDVLGGXZJYQF-PKPIPKONSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.108,"smiles":"CN(C)C(=O)CC(O)C(=O)N1C(=O)CC[C@H]1C(=O)O","spectrum_id":"CCMSLIB00017390051","spectrum_index":34},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-Pyroglutamic acid_malic acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":272.100836,"inchikey":"FKJDVLGGXZJYQF-PKPIPKONSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.108,"smiles":"CN(C)C(=O)CC(O)C(=O)N1C(=O)CC[C@H]1C(=O)O","spectrum_id":"CCMSLIB00017390052","spectrum_index":35},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-Pyroglutamic acid_malic acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":272.100836,"inchikey":"MSAVOLIUFIVOKO-PKPIPKONSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.108,"smiles":"CN(C)C(=O)C(O)CC(=O)N1C(=O)CC[C@H]1C(=O)O","spectrum_id":"CCMSLIB00017390053","spectrum_index":36},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-Pyroglutamic acid_malic acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":272.100836,"inchikey":"MSAVOLIUFIVOKO-PKPIPKONSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.108,"smiles":"CN(C)C(=O)C(O)CC(=O)N1C(=O)CC[C@H]1C(=O)O","spectrum_id":"CCMSLIB00017390054","spectrum_index":37},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390055","spectrum_index":38},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390056","spectrum_index":39},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"N-Acetyl-L-glutamic acid_Carnitine (known isomers: 1; isobaric peaks: 1)","exact_mass":332.158351,"inchikey":"YSYXCEPKYVETIH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.166,"smiles":"CC(=O)NC(CCC(=O)O)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390057","spectrum_index":40},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"N-Acetyl-L-glutamic acid_Carnitine (known isomers: 1; isobaric peaks: 1)","exact_mass":332.158351,"inchikey":"XOTRDEHYKITZLT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.166,"smiles":"CC(=O)NC(CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)C(=O)O","spectrum_id":"CCMSLIB00017390058","spectrum_index":41},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"alpha-Cyano-4-Hydroxycinnamic acid_Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":332.137222,"inchikey":"WPOWHQSBPCEPII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":350.171,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)/C(C#N)=C/c1ccc(O)cc1","spectrum_id":"CCMSLIB00017390059","spectrum_index":42},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Malic acid_Carnitine (known isomers: 1; isobaric peaks: 0)","exact_mass":277.116152,"inchikey":"MKHNYAHVVLJTME-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":278.123,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)C(O)CC(=O)O","spectrum_id":"CCMSLIB00017390070","spectrum_index":43},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Malic acid_Carnitine (known isomers: 1; isobaric peaks: 0)","exact_mass":277.116152,"inchikey":"LBOGPZAIAOIHLR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":278.123,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CC(O)C(=O)O","spectrum_id":"CCMSLIB00017390071","spectrum_index":44},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390072","spectrum_index":45},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390073","spectrum_index":46},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390074","spectrum_index":47},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390075","spectrum_index":48},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_adipic acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 2)","exact_mass":264.147393,"inchikey":"UKEOZZBAZCMOTJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.155,"smiles":"CN(C)C(=O)CCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390076","spectrum_index":49},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_adipic acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 2)","exact_mass":264.147393,"inchikey":"UKEOZZBAZCMOTJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.155,"smiles":"CN(C)C(=O)CCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390077","spectrum_index":50},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_adipic acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":264.147393,"inchikey":"UKEOZZBAZCMOTJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.137,"smiles":"CN(C)C(=O)CCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390078","spectrum_index":51},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_2-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 2)","exact_mass":264.147393,"inchikey":"NQRSIMOFBMRMHP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.155,"smiles":"CC(CCC(=O)Nc1ccccc1O)C(=O)N(C)C","spectrum_id":"CCMSLIB00017390079","spectrum_index":52},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_2-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 2)","exact_mass":264.147393,"inchikey":"NQRSIMOFBMRMHP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.155,"smiles":"CC(CCC(=O)Nc1ccccc1O)C(=O)N(C)C","spectrum_id":"CCMSLIB00017390080","spectrum_index":53},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_2-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":264.147393,"inchikey":"NQRSIMOFBMRMHP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.137,"smiles":"CC(CCC(=O)Nc1ccccc1O)C(=O)N(C)C","spectrum_id":"CCMSLIB00017390081","spectrum_index":54},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_suberic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":292.178693,"inchikey":"TUWZXXORWOAHMG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.186,"smiles":"CN(C)C(=O)CCCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390082","spectrum_index":55},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_suberic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":292.178693,"inchikey":"TUWZXXORWOAHMG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":293.186,"smiles":"CN(C)C(=O)CCCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390083","spectrum_index":56},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_mesaconic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":362.256943,"inchikey":"AGDHATWIYZGQKF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.264,"smiles":"CN(C)C(=O)CCCCCCCCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390084","spectrum_index":57},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_hex-3-enedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":262.131742,"inchikey":"ZNSVQEILQNFHRV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.139,"smiles":"CN(C)C(=O)CC=CCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390085","spectrum_index":58},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_2-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 2)","exact_mass":264.147393,"inchikey":"VWUITUNRHMXTFN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.155,"smiles":"CC(CCC(=O)N(C)C)C(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390086","spectrum_index":59},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_2-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 2)","exact_mass":264.147393,"inchikey":"VWUITUNRHMXTFN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.155,"smiles":"CC(CCC(=O)N(C)C)C(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390087","spectrum_index":60},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_2-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":264.147393,"inchikey":"VWUITUNRHMXTFN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.137,"smiles":"CC(CCC(=O)N(C)C)C(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390088","spectrum_index":61},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_3-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 2)","exact_mass":264.147393,"inchikey":"BCFAIPFUSOIBFS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.155,"smiles":"CC(CC(=O)Nc1ccccc1O)CC(=O)N(C)C","spectrum_id":"CCMSLIB00017390089","spectrum_index":62},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_3-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 2)","exact_mass":264.147393,"inchikey":"BCFAIPFUSOIBFS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.155,"smiles":"CC(CC(=O)Nc1ccccc1O)CC(=O)N(C)C","spectrum_id":"CCMSLIB00017390090","spectrum_index":63},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_3-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":264.147393,"inchikey":"BCFAIPFUSOIBFS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.137,"smiles":"CC(CC(=O)Nc1ccccc1O)CC(=O)N(C)C","spectrum_id":"CCMSLIB00017390091","spectrum_index":64},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_pimelic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":278.163043,"inchikey":"PPYLVNXCFLCKKL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.17,"smiles":"CN(C)C(=O)CCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390092","spectrum_index":65},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_pimelic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":278.163043,"inchikey":"PPYLVNXCFLCKKL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.17,"smiles":"CN(C)C(=O)CCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390093","spectrum_index":66},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"2-Aminophenol_1,11-undecanedicarboxylic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)\"","exact_mass":334.225643,"inchikey":"BZGHUQNJZBXBST-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.233,"smiles":"CN(C)C(=O)CCCCCCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390094","spectrum_index":67},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"2-Aminophenol_1,11-undecanedicarboxylic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)\"","exact_mass":334.225643,"inchikey":"BZGHUQNJZBXBST-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.233,"smiles":"CN(C)C(=O)CCCCCCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390095","spectrum_index":68},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_sebacic-acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 3)","exact_mass":320.209993,"inchikey":"LORJFHRQSCBJCV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.217,"smiles":"CN(C)C(=O)CCCCCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390096","spectrum_index":69},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_sebacic-acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 3)","exact_mass":320.209993,"inchikey":"LORJFHRQSCBJCV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.218,"smiles":"CN(C)C(=O)CCCCCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390097","spectrum_index":70},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_sebacic-acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 3)","exact_mass":320.209993,"inchikey":"LORJFHRQSCBJCV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.218,"smiles":"CN(C)C(=O)CCCCCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390098","spectrum_index":71},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_azelic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":306.194343,"inchikey":"AJEYWEXZQPEHBI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.202,"smiles":"CN(C)C(=O)CCCCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390099","spectrum_index":72},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_azelic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":306.194343,"inchikey":"AJEYWEXZQPEHBI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.202,"smiles":"CN(C)C(=O)CCCCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390100","spectrum_index":73},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_azelic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":306.194343,"inchikey":"AJEYWEXZQPEHBI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.202,"smiles":"CN(C)C(=O)CCCCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390101","spectrum_index":74},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_azelic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 3)","exact_mass":306.194343,"inchikey":"AJEYWEXZQPEHBI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.182,"smiles":"CN(C)C(=O)CCCCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390102","spectrum_index":75},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":348.241293,"inchikey":"FPYZFJRSLMPESY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.248,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390103","spectrum_index":76},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":348.241293,"inchikey":"FPYZFJRSLMPESY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.25,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390104","spectrum_index":77},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"2-Aminophenol_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":348.241293,"inchikey":"FPYZFJRSLMPESY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.231,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390105","spectrum_index":78},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Sinapic acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":367.163102,"inchikey":"GWSJESJKJITLHQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":368.171,"smiles":"COc1cc(/C=C/C(=O)OC(CC(=O)[O-])C[N+](C)(C)C)cc(OC)c1O","spectrum_id":"CCMSLIB00017390132","spectrum_index":79},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390133","spectrum_index":80},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glycocholic-acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":608.403667,"inchikey":"ZVVVNRKMOMDWGW-RVMKMISBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.41,"smiles":"C[C@H](CCC(=O)NCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","spectrum_id":"CCMSLIB00017390134","spectrum_index":81},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glycocholic-acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":608.403667,"inchikey":"ZVVVNRKMOMDWGW-RVMKMISBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":609.411,"smiles":"C[C@H](CCC(=O)NCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","spectrum_id":"CCMSLIB00017390135","spectrum_index":82},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Glycocholic-acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":608.403667,"inchikey":"ZVVVNRKMOMDWGW-RVMKMISBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":631.392,"smiles":"C[C@H](CCC(=O)NCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","spectrum_id":"CCMSLIB00017390136","spectrum_index":83},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390137","spectrum_index":84},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3a-hydroxy-12-oxo-5b-cholan-24-oic-acid_Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":549.366553,"inchikey":"FGLHHOKGIVMWPD-YUPSTHTFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":550.374,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C","spectrum_id":"CCMSLIB00017390138","spectrum_index":85},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3a-hydroxy-12-oxo-5b-cholan-24-oic-acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":549.366553,"inchikey":"FGLHHOKGIVMWPD-YUPSTHTFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":572.358,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C","spectrum_id":"CCMSLIB00017390139","spectrum_index":86},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"2,4-Dihydroxybenzoic acid_Carnitine (known isomers: 0; isobaric peaks: 0)\"","exact_mass":297.121237,"inchikey":"VIDUUIMIJBZEOO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.128,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)c1ccc(O)cc1O","spectrum_id":"CCMSLIB00017390140","spectrum_index":87},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390141","spectrum_index":88},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390142","spectrum_index":89},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390147","spectrum_index":90},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390148","spectrum_index":91},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Taurine_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":364.203193,"inchikey":"CGQFMYSNIHWVAL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.21,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)NCCS(=O)(=O)O","spectrum_id":"CCMSLIB00017390149","spectrum_index":92},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Taurine_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":364.203193,"inchikey":"CGQFMYSNIHWVAL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.21,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)NCCS(=O)(=O)O","spectrum_id":"CCMSLIB00017390150","spectrum_index":93},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Taurine_adipic acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 0)","exact_mass":280.109293,"inchikey":"JAXXBWNGOICCGZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.116,"smiles":"CN(C)C(=O)CCCCC(=O)NCCS(=O)(=O)O","spectrum_id":"CCMSLIB00017390151","spectrum_index":94},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Taurine_1,11-undecanedicarboxylic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)\"","exact_mass":350.187543,"inchikey":"OSCNZQNQFFZPSK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.194,"smiles":"CN(C)C(=O)CCCCCCCCCC(=O)NCCS(=O)(=O)O","spectrum_id":"CCMSLIB00017390152","spectrum_index":95},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Taurine_tridecanedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":378.218843,"inchikey":"OADRROQQKOBERX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.225,"smiles":"CN(C)C(=O)CCCCCCCCCCCC(=O)NCCS(=O)(=O)O","spectrum_id":"CCMSLIB00017390153","spectrum_index":96},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Taurine_tridecanedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":378.218843,"inchikey":"OADRROQQKOBERX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.225,"smiles":"CN(C)C(=O)CCCCCCCCCCCC(=O)NCCS(=O)(=O)O","spectrum_id":"CCMSLIB00017390154","spectrum_index":97},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Taurine_pimelic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":294.124943,"inchikey":"DNGFPJBGXBAABR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.132,"smiles":"CN(C)C(=O)CCCCCC(=O)NCCS(=O)(=O)O","spectrum_id":"CCMSLIB00017390155","spectrum_index":98},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Taurine_2-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 0)","exact_mass":280.109293,"inchikey":"LVNJJFHTAWZBIX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.116,"smiles":"CC(CCC(=O)NCCS(=O)(=O)O)C(=O)N(C)C","spectrum_id":"CCMSLIB00017390156","spectrum_index":99},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Taurine_2-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 0)","exact_mass":280.109293,"inchikey":"NRLXIWBQENQFCD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.116,"smiles":"CC(CCC(=O)N(C)C)C(=O)NCCS(=O)(=O)O","spectrum_id":"CCMSLIB00017390157","spectrum_index":100},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Taurine_sebacic-acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":336.171893,"inchikey":"XZHDRTOATNWWLS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.178,"smiles":"CN(C)C(=O)CCCCCCCCC(=O)NCCS(=O)(=O)O","spectrum_id":"CCMSLIB00017390158","spectrum_index":101},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Taurine_3-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 0)","exact_mass":280.109293,"inchikey":"KRHXOJQMNJZQII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.116,"smiles":"CC(CC(=O)NCCS(=O)(=O)O)CC(=O)N(C)C","spectrum_id":"CCMSLIB00017390159","spectrum_index":102},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4-Aminobenzoic acid_Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":280.142307,"inchikey":"WWDVPIYGWTUSFH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.15,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)c1ccc(N)cc1","spectrum_id":"CCMSLIB00017390160","spectrum_index":103},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4-Aminobenzoic acid_Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":280.142307,"inchikey":"WWDVPIYGWTUSFH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.15,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)c1ccc(N)cc1","spectrum_id":"CCMSLIB00017390161","spectrum_index":104},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390162","spectrum_index":105},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_eicosanoic-acid (known isomers: 0; isobaric peaks: 1)","exact_mass":339.350115,"inchikey":"QQNJIARXLCYCNI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":340.358,"smiles":"CCCCCCCCCCCCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390183","spectrum_index":106},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_eicosanoic-acid (known isomers: 0; isobaric peaks: 1)","exact_mass":339.350115,"inchikey":"QQNJIARXLCYCNI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":340.358,"smiles":"CCCCCCCCCCCCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390184","spectrum_index":107},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_oleic-acid (known isomers: 0; isobaric peaks: 1)","exact_mass":309.303165,"inchikey":"GAXDEROCNMZYCS-QXMHVHEDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.31,"smiles":"CCCCCCCC/C=C\\CCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390185","spectrum_index":108},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_oleic-acid (known isomers: 0; isobaric peaks: 1)","exact_mass":309.303165,"inchikey":"GAXDEROCNMZYCS-QXMHVHEDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.31,"smiles":"CCCCCCCC/C=C\\CCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390186","spectrum_index":109},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_12-hydroxy-octadec-9-enoic-acid (known isomers: 1; isobaric peaks: 0)","exact_mass":325.298079,"inchikey":"BKJHWAWYJHTUJU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":326.305,"smiles":"CCCCCCC(O)CC=CCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390187","spectrum_index":110},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_erucic-acid (known isomers: 0; isobaric peaks: 1)","exact_mass":365.365765,"inchikey":"LIMCNJRXTCFNPV-QXMHVHEDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.373,"smiles":"CCCCCCCC/C=C\\CCCCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390188","spectrum_index":111},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_erucic-acid (known isomers: 0; isobaric peaks: 1)","exact_mass":365.365765,"inchikey":"LIMCNJRXTCFNPV-QXMHVHEDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.373,"smiles":"CCCCCCCC/C=C\\CCCCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390189","spectrum_index":112},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_palmitic-acid (known isomers: 0; isobaric peaks: 1)","exact_mass":283.287515,"inchikey":"UOYBMZNFJUBBNU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.295,"smiles":"CCCCCCCCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390190","spectrum_index":113},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_palmitic-acid (known isomers: 0; isobaric peaks: 1)","exact_mass":283.287515,"inchikey":"UOYBMZNFJUBBNU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.295,"smiles":"CCCCCCCCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390191","spectrum_index":114},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-tridecenoic-acid (known isomers: 0; isobaric peaks: 1)","exact_mass":239.224915,"inchikey":"RKWOLXKVFGIBBL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":240.232,"smiles":"CCCCCCCCCCC=CC(=O)N(C)C","spectrum_id":"CCMSLIB00017390192","spectrum_index":115},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_12-hydroxy-stearic-acid (known isomers: 0; isobaric peaks: 0)","exact_mass":327.31373,"inchikey":"YKHUKBGGPMNXPK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":328.321,"smiles":"CCCCCCC(O)CCCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390193","spectrum_index":116},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_12-hydroxy-stearic-acid (known isomers: 0; isobaric peaks: 0)","exact_mass":327.31373,"inchikey":"YKHUKBGGPMNXPK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":350.303,"smiles":"CCCCCCC(O)CCCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390194","spectrum_index":117},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_tridecanoic-acid (known isomers: 0; isobaric peaks: 0)","exact_mass":241.240565,"inchikey":"ZQNAEHHJUKGDDE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":242.248,"smiles":"CCCCCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390195","spectrum_index":118},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_linolenic-acid (known isomers: 0; isobaric peaks: 0)","exact_mass":305.271865,"inchikey":"DQAIGRYBLTXLNA-XSHSMGBESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":306.279,"smiles":"CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390196","spectrum_index":119},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_nonadecanoic-acid (known isomers: 0; isobaric peaks: 1)","exact_mass":325.334465,"inchikey":"USCQWGOHKQUQAD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":326.342,"smiles":"CCCCCCCCCCCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390197","spectrum_index":120},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_ricinoleic-acid (known isomers: 1; isobaric peaks: 0)","exact_mass":325.298079,"inchikey":"BKJHWAWYJHTUJU-KWRJMZDGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":326.305,"smiles":"CCCCCC[C@@H](O)C/C=C\\CCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390198","spectrum_index":121},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390199","spectrum_index":122},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hyodeoxycholic-acid_Carnitine (known isomers: 0; isobaric peaks: 4)","exact_mass":535.387288,"inchikey":"FAZCKVSTACIECA-UAJQCZHPSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.394,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390200","spectrum_index":123},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hyodeoxycholic-acid_Carnitine (known isomers: 0; isobaric peaks: 4)","exact_mass":535.387288,"inchikey":"FAZCKVSTACIECA-UAJQCZHPSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.394,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390201","spectrum_index":124},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390202","spectrum_index":125},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390203","spectrum_index":126},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_anisic-acid (known isomers: 3; isobaric peaks: 3)","exact_mass":179.094629,"inchikey":"OCGXPFSUJVHRHA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":180.102,"smiles":"COc1ccc(C(=O)N(C)C)cc1","spectrum_id":"CCMSLIB00017390206","spectrum_index":127},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_O-3-dimethylbenzoic-acid (known isomers: 7; isobaric peaks: 3)","exact_mass":177.115364,"inchikey":"KJFNIMLMIUNQSJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1cccc(C(=O)N(C)C)c1C","spectrum_id":"CCMSLIB00017390207","spectrum_index":128},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_O-3-dimethylbenzoic-acid (known isomers: 7; isobaric peaks: 3)","exact_mass":177.115364,"inchikey":"KJFNIMLMIUNQSJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1cccc(C(=O)N(C)C)c1C","spectrum_id":"CCMSLIB00017390208","spectrum_index":129},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_O-3-dimethylbenzoic-acid (known isomers: 7; isobaric peaks: 3)","exact_mass":177.115364,"inchikey":"KJFNIMLMIUNQSJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1cccc(C(=O)N(C)C)c1C","spectrum_id":"CCMSLIB00017390209","spectrum_index":130},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_O-3-dimethylbenzoic-acid (known isomers: 7; isobaric peaks: 3)","exact_mass":177.115364,"inchikey":"KJFNIMLMIUNQSJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1cccc(C(=O)N(C)C)c1C","spectrum_id":"CCMSLIB00017390210","spectrum_index":131},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_m-tolyacetic-acid (known isomers: 7; isobaric peaks: 3)","exact_mass":177.115364,"inchikey":"FVWUZRWNTYRPIW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1cccc(CC(=O)N(C)C)c1","spectrum_id":"CCMSLIB00017390211","spectrum_index":132},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_m-tolyacetic-acid (known isomers: 7; isobaric peaks: 3)","exact_mass":177.115364,"inchikey":"FVWUZRWNTYRPIW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1cccc(CC(=O)N(C)C)c1","spectrum_id":"CCMSLIB00017390212","spectrum_index":133},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_m-tolyacetic-acid (known isomers: 7; isobaric peaks: 3)","exact_mass":177.115364,"inchikey":"FVWUZRWNTYRPIW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1cccc(CC(=O)N(C)C)c1","spectrum_id":"CCMSLIB00017390213","spectrum_index":134},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_m-tolyacetic-acid (known isomers: 7; isobaric peaks: 3)","exact_mass":177.115364,"inchikey":"FVWUZRWNTYRPIW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1cccc(CC(=O)N(C)C)c1","spectrum_id":"CCMSLIB00017390214","spectrum_index":135},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-ethyl-benzoic-acid (known isomers: 7; isobaric peaks: 3)","exact_mass":177.115364,"inchikey":"CXAPQNRCIDEHAG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"CCc1ccc(C(=O)N(C)C)cc1","spectrum_id":"CCMSLIB00017390215","spectrum_index":136},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-ethyl-benzoic-acid (known isomers: 7; isobaric peaks: 3)","exact_mass":177.115364,"inchikey":"CXAPQNRCIDEHAG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"CCc1ccc(C(=O)N(C)C)cc1","spectrum_id":"CCMSLIB00017390216","spectrum_index":137},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-ethyl-benzoic-acid (known isomers: 7; isobaric peaks: 3)","exact_mass":177.115364,"inchikey":"CXAPQNRCIDEHAG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"CCc1ccc(C(=O)N(C)C)cc1","spectrum_id":"CCMSLIB00017390217","spectrum_index":138},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-ethyl-benzoic-acid (known isomers: 7; isobaric peaks: 3)","exact_mass":177.115364,"inchikey":"CXAPQNRCIDEHAG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"CCc1ccc(C(=O)N(C)C)cc1","spectrum_id":"CCMSLIB00017390218","spectrum_index":139},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_3-cyclohexanecarboxylic-acid (known isomers: 0; isobaric peaks: 1)","exact_mass":155.131014,"inchikey":"JBCOYDRQCPJFHJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":156.138,"smiles":"CN(C)C(=O)C1CCCCC1","spectrum_id":"CCMSLIB00017390219","spectrum_index":140},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_3-chloro-2-methylbenzoic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":197.060742,"inchikey":"OMUXJGSJEHPXLG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.068,"smiles":"Cc1c(Cl)cccc1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390220","spectrum_index":141},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_3-chloro-2-methylbenzoic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":197.060742,"inchikey":"OMUXJGSJEHPXLG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.068,"smiles":"Cc1c(Cl)cccc1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390221","spectrum_index":142},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_3-chloro-2-methylbenzoic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":197.060742,"inchikey":"OMUXJGSJEHPXLG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.068,"smiles":"Cc1c(Cl)cccc1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390222","spectrum_index":143},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-tolyacetic-acid (known isomers: 7; isobaric peaks: 3)","exact_mass":177.115364,"inchikey":"BUPWIEJFVYWBHO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1ccc(CC(=O)N(C)C)cc1","spectrum_id":"CCMSLIB00017390223","spectrum_index":144},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-tolyacetic-acid (known isomers: 7; isobaric peaks: 3)","exact_mass":177.115364,"inchikey":"BUPWIEJFVYWBHO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1ccc(CC(=O)N(C)C)cc1","spectrum_id":"CCMSLIB00017390224","spectrum_index":145},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-tolyacetic-acid (known isomers: 7; isobaric peaks: 3)","exact_mass":177.115364,"inchikey":"BUPWIEJFVYWBHO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1ccc(CC(=O)N(C)C)cc1","spectrum_id":"CCMSLIB00017390225","spectrum_index":146},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-tolyacetic-acid (known isomers: 7; isobaric peaks: 3)","exact_mass":177.115364,"inchikey":"BUPWIEJFVYWBHO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1ccc(CC(=O)N(C)C)cc1","spectrum_id":"CCMSLIB00017390226","spectrum_index":147},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-phenylbenzoic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":225.115364,"inchikey":"QNBIPRKUOSLWQE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":226.123,"smiles":"CN(C)C(=O)c1ccc(-c2ccccc2)cc1","spectrum_id":"CCMSLIB00017390227","spectrum_index":148},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-phenylbenzoic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":225.115364,"inchikey":"QNBIPRKUOSLWQE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":226.123,"smiles":"CN(C)C(=O)c1ccc(-c2ccccc2)cc1","spectrum_id":"CCMSLIB00017390228","spectrum_index":149},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-phenylbenzoic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":225.115364,"inchikey":"QNBIPRKUOSLWQE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":226.123,"smiles":"CN(C)C(=O)c1ccc(-c2ccccc2)cc1","spectrum_id":"CCMSLIB00017390229","spectrum_index":150},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-(4-isobutylphenyl)propionic-acid (known isomers: 0; isobaric peaks: 1)","exact_mass":233.177964,"inchikey":"XNPKARSARMGDQS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":234.185,"smiles":"CC(C)Cc1ccc(C(C)C(=O)N(C)C)cc1","spectrum_id":"CCMSLIB00017390230","spectrum_index":151},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-(4-isobutylphenyl)propionic-acid (known isomers: 0; isobaric peaks: 1)","exact_mass":233.177964,"inchikey":"XNPKARSARMGDQS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":234.185,"smiles":"CC(C)Cc1ccc(C(C)C(=O)N(C)C)cc1","spectrum_id":"CCMSLIB00017390231","spectrum_index":152},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_2-fluoro(1,1-biphenyl)4-carboxylic-acid (known isomers: 0; isobaric peaks: 2)\"","exact_mass":243.105942,"inchikey":"YSJHGWPIXASIPI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.113,"smiles":"CN(C)C(=O)c1ccc(-c2ccccc2)c(F)c1","spectrum_id":"CCMSLIB00017390232","spectrum_index":153},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_2-fluoro(1,1-biphenyl)4-carboxylic-acid (known isomers: 0; isobaric peaks: 2)\"","exact_mass":243.105942,"inchikey":"YSJHGWPIXASIPI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.114,"smiles":"CN(C)C(=O)c1ccc(-c2ccccc2)c(F)c1","spectrum_id":"CCMSLIB00017390233","spectrum_index":154},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_2-fluoro(1,1-biphenyl)4-carboxylic-acid (known isomers: 0; isobaric peaks: 2)\"","exact_mass":243.105942,"inchikey":"YSJHGWPIXASIPI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.113,"smiles":"CN(C)C(=O)c1ccc(-c2ccccc2)c(F)c1","spectrum_id":"CCMSLIB00017390234","spectrum_index":155},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_3,5-dimethyl-benzoic-acid (known isomers: 7; isobaric peaks: 3)\"","exact_mass":177.115364,"inchikey":"FKHDPPCXVFHOMW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1cc(C)cc(C(=O)N(C)C)c1","spectrum_id":"CCMSLIB00017390236","spectrum_index":156},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_3,5-dimethyl-benzoic-acid (known isomers: 7; isobaric peaks: 3)\"","exact_mass":177.115364,"inchikey":"FKHDPPCXVFHOMW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1cc(C)cc(C(=O)N(C)C)c1","spectrum_id":"CCMSLIB00017390237","spectrum_index":157},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_3,5-dimethyl-benzoic-acid (known isomers: 7; isobaric peaks: 3)\"","exact_mass":177.115364,"inchikey":"FKHDPPCXVFHOMW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1cc(C)cc(C(=O)N(C)C)c1","spectrum_id":"CCMSLIB00017390238","spectrum_index":158},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_3,5-dimethyl-benzoic-acid (known isomers: 7; isobaric peaks: 3)\"","exact_mass":177.115364,"inchikey":"FKHDPPCXVFHOMW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1cc(C)cc(C(=O)N(C)C)c1","spectrum_id":"CCMSLIB00017390239","spectrum_index":159},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_p-toluic-acid (known isomers: 0; isobaric peaks: 0)","exact_mass":163.099714,"inchikey":"ULKWBVNMJZUEBD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":164.107,"smiles":"Cc1ccc(C(=O)N(C)C)cc1","spectrum_id":"CCMSLIB00017390240","spectrum_index":160},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-chloro-6-methylbenzoic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":197.060742,"inchikey":"XMYPAAQOBLWMMA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.068,"smiles":"Cc1cccc(Cl)c1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390241","spectrum_index":161},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-chloro-6-methylbenzoic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":197.060742,"inchikey":"XMYPAAQOBLWMMA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.068,"smiles":"Cc1cccc(Cl)c1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390242","spectrum_index":162},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-chloro-6-methylbenzoic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":197.060742,"inchikey":"XMYPAAQOBLWMMA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.068,"smiles":"Cc1cccc(Cl)c1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390243","spectrum_index":163},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_5-chloro-2-methylbenzoic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":197.060742,"inchikey":"BHYRKYDXIGUVOI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.068,"smiles":"Cc1ccc(Cl)cc1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390244","spectrum_index":164},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_5-chloro-2-methylbenzoic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":197.060742,"inchikey":"BHYRKYDXIGUVOI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.068,"smiles":"Cc1ccc(Cl)cc1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390245","spectrum_index":165},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_5-chloro-2-methylbenzoic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":197.060742,"inchikey":"BHYRKYDXIGUVOI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.068,"smiles":"Cc1ccc(Cl)cc1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390246","spectrum_index":166},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-chloro-2-methylbenzoic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":197.060742,"inchikey":"AFCMZYNJUZBUQL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.068,"smiles":"Cc1cc(Cl)ccc1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390247","spectrum_index":167},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-chloro-2-methylbenzoic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":197.060742,"inchikey":"AFCMZYNJUZBUQL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.068,"smiles":"Cc1cc(Cl)ccc1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390248","spectrum_index":168},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-chloro-2-methylbenzoic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":197.060742,"inchikey":"AFCMZYNJUZBUQL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.068,"smiles":"Cc1cc(Cl)ccc1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390249","spectrum_index":169},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-hydroxy-3-methoxycinnamic-acid (known isomers: 1; isobaric peaks: 4)","exact_mass":221.105193,"inchikey":"WIJWEQBWTZZMAJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":222.111,"smiles":"COc1cc(C=CC(=O)N(C)C)ccc1O","spectrum_id":"CCMSLIB00017390250","spectrum_index":170},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-hydroxy-3-methoxycinnamic-acid (known isomers: 1; isobaric peaks: 4)","exact_mass":221.105193,"inchikey":"WIJWEQBWTZZMAJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":222.112,"smiles":"COc1cc(C=CC(=O)N(C)C)ccc1O","spectrum_id":"CCMSLIB00017390251","spectrum_index":171},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-hydroxy-3-methoxycinnamic-acid (known isomers: 1; isobaric peaks: 4)","exact_mass":221.105193,"inchikey":"WIJWEQBWTZZMAJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":222.112,"smiles":"COc1cc(C=CC(=O)N(C)C)ccc1O","spectrum_id":"CCMSLIB00017390252","spectrum_index":172},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_indole-3-butyric-acid (known isomers: 0; isobaric peaks: 3)","exact_mass":230.141913,"inchikey":"STEIYURPLNQRDP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.15,"smiles":"CN(C)C(=O)CCCc1c[nH]c2ccccc12","spectrum_id":"CCMSLIB00017390253","spectrum_index":173},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_indole-3-butyric-acid (known isomers: 0; isobaric peaks: 3)","exact_mass":230.141913,"inchikey":"STEIYURPLNQRDP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.149,"smiles":"CN(C)C(=O)CCCc1c[nH]c2ccccc12","spectrum_id":"CCMSLIB00017390254","spectrum_index":174},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-pyridazinecarboxylic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":151.074562,"inchikey":"QNNLANUKALMSBI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":152.082,"smiles":"CN(C)C(=O)c1ccnnc1","spectrum_id":"CCMSLIB00017390255","spectrum_index":175},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-pyridazinecarboxylic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":151.074562,"inchikey":"QNNLANUKALMSBI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":152.082,"smiles":"CN(C)C(=O)c1ccnnc1","spectrum_id":"CCMSLIB00017390256","spectrum_index":176},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_pyrimidine-2-carboxylic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":151.074562,"inchikey":"FOYYTOVXHVHXIN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":152.082,"smiles":"CN(C)C(=O)c1ncccn1","spectrum_id":"CCMSLIB00017390257","spectrum_index":177},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_pyrimidine-2-carboxylic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":151.074562,"inchikey":"FOYYTOVXHVHXIN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":152.082,"smiles":"CN(C)C(=O)c1ncccn1","spectrum_id":"CCMSLIB00017390258","spectrum_index":178},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_3-hydroxy-2-methylbenzoic-acid (known isomers: 3; isobaric peaks: 3)","exact_mass":179.094629,"inchikey":"PGTLCKPTQKQBJQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":180.102,"smiles":"Cc1c(O)cccc1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390259","spectrum_index":179},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-bromophenylacetic-acid (known isomers: 0; isobaric peaks: 3)","exact_mass":241.010226,"inchikey":"BYABPBCYOWJRGQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":242.018,"smiles":"CN(C)C(=O)Cc1ccccc1Br","spectrum_id":"CCMSLIB00017390260","spectrum_index":180},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_9-decenoic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":197.177964,"inchikey":"TZTFSSQVWNZQQA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.186,"smiles":"C=CCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390261","spectrum_index":181},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_9-decenoic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":197.177964,"inchikey":"TZTFSSQVWNZQQA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.186,"smiles":"C=CCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390262","spectrum_index":182},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_9-decenoic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":197.177964,"inchikey":"TZTFSSQVWNZQQA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.185,"smiles":"C=CCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390263","spectrum_index":183},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-trifluoromethyl-benzoic-acid (known isomers: 0; isobaric peaks: 1)","exact_mass":217.071449,"inchikey":"NOFXHGGTQGRTTJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":218.079,"smiles":"CN(C)C(=O)c1ccc(C(F)(F)F)cc1","spectrum_id":"CCMSLIB00017390264","spectrum_index":184},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-trifluoromethyl-benzoic-acid (known isomers: 0; isobaric peaks: 1)","exact_mass":217.071449,"inchikey":"NOFXHGGTQGRTTJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":218.079,"smiles":"CN(C)C(=O)c1ccc(C(F)(F)F)cc1","spectrum_id":"CCMSLIB00017390265","spectrum_index":185},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-hydroxy-phenylacetic-acid (known isomers: 3; isobaric peaks: 3)","exact_mass":179.094629,"inchikey":"BLUITXBEAKYQKE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":180.102,"smiles":"CN(C)C(=O)Cc1ccc(O)cc1","spectrum_id":"CCMSLIB00017390266","spectrum_index":186},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-acetylbutyric-acid (known isomers: 0; isobaric peaks: 5)","exact_mass":157.110279,"inchikey":"LIDIFDGEZDAJOL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":158.118,"smiles":"CC(=O)CCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390267","spectrum_index":187},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-acetylbutyric-acid (known isomers: 0; isobaric peaks: 5)","exact_mass":157.110279,"inchikey":"LIDIFDGEZDAJOL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":158.118,"smiles":"CC(=O)CCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390268","spectrum_index":188},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_4-acetylbutyric-acid (known isomers: 0; isobaric peaks: 5)","exact_mass":157.110279,"inchikey":"LIDIFDGEZDAJOL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":158.118,"smiles":"CC(=O)CCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390269","spectrum_index":189},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_3-pyridazinecarboxylic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":151.074562,"inchikey":"LEMROXFLFAJDNF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":152.082,"smiles":"CN(C)C(=O)c1cccnn1","spectrum_id":"CCMSLIB00017390270","spectrum_index":190},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_3-pyridazinecarboxylic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":151.074562,"inchikey":"LEMROXFLFAJDNF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":152.082,"smiles":"CN(C)C(=O)c1cccnn1","spectrum_id":"CCMSLIB00017390271","spectrum_index":191},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_quinaldic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":200.094963,"inchikey":"SJGFVVGPTAFAQX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":201.102,"smiles":"CN(C)C(=O)c1ccc2ccccc2n1","spectrum_id":"CCMSLIB00017390272","spectrum_index":192},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_quinaldic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":200.094963,"inchikey":"SJGFVVGPTAFAQX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":201.103,"smiles":"CN(C)C(=O)c1ccc2ccccc2n1","spectrum_id":"CCMSLIB00017390273","spectrum_index":193},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_O-acetyl-mandelic-acid (known isomers: 1; isobaric peaks: 4)","exact_mass":221.105193,"inchikey":"FIEWKXRRCNQGQA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":222.111,"smiles":"CC(=O)OC(C(=O)N(C)C)c1ccccc1","spectrum_id":"CCMSLIB00017390274","spectrum_index":194},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_O-acetyl-mandelic-acid (known isomers: 1; isobaric peaks: 4)","exact_mass":221.105193,"inchikey":"FIEWKXRRCNQGQA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":222.112,"smiles":"CC(=O)OC(C(=O)N(C)C)c1ccccc1","spectrum_id":"CCMSLIB00017390275","spectrum_index":195},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_O-acetyl-mandelic-acid (known isomers: 1; isobaric peaks: 4)","exact_mass":221.105193,"inchikey":"FIEWKXRRCNQGQA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":222.112,"smiles":"CC(=O)OC(C(=O)N(C)C)c1ccccc1","spectrum_id":"CCMSLIB00017390276","spectrum_index":196},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_1-(tert-butoxycarbonyl)piperdine-3-carboxylic-acid (known isomers: 0; isobaric peaks: 3)","exact_mass":256.178693,"inchikey":"JNGGDEYBRXXVSY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":257.186,"smiles":"CN(C)C(=O)C1CCCN(C(=O)OC(C)(C)C)C1","spectrum_id":"CCMSLIB00017390277","spectrum_index":197},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_1-(tert-butoxycarbonyl)piperdine-3-carboxylic-acid (known isomers: 0; isobaric peaks: 1)","exact_mass":256.178693,"inchikey":"JNGGDEYBRXXVSY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":279.168,"smiles":"CN(C)C(=O)C1CCCN(C(=O)OC(C)(C)C)C1","spectrum_id":"CCMSLIB00017390278","spectrum_index":198},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_mandelic-acid (known isomers: 3; isobaric peaks: 3)","exact_mass":179.094629,"inchikey":"RAPXOLIRIJRICD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":180.102,"smiles":"CN(C)C(=O)C(O)c1ccccc1","spectrum_id":"CCMSLIB00017390279","spectrum_index":199},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-pyrazinecarboxylic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":151.074562,"inchikey":"AGPFOBMNLCROLG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":152.082,"smiles":"CN(C)C(=O)c1cnccn1","spectrum_id":"CCMSLIB00017390280","spectrum_index":200},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-pyrazinecarboxylic-acid (known isomers: 3; isobaric peaks: 2)","exact_mass":151.074562,"inchikey":"AGPFOBMNLCROLG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":152.082,"smiles":"CN(C)C(=O)c1cnccn1","spectrum_id":"CCMSLIB00017390281","spectrum_index":201},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_2,5-dimethylbenzoic-acid (known isomers: 7; isobaric peaks: 3)\"","exact_mass":177.115364,"inchikey":"XSXQTEURGSBFRL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1ccc(C)c(C(=O)N(C)C)c1","spectrum_id":"CCMSLIB00017390282","spectrum_index":202},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_2,5-dimethylbenzoic-acid (known isomers: 7; isobaric peaks: 3)\"","exact_mass":177.115364,"inchikey":"XSXQTEURGSBFRL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1ccc(C)c(C(=O)N(C)C)c1","spectrum_id":"CCMSLIB00017390283","spectrum_index":203},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_2,5-dimethylbenzoic-acid (known isomers: 7; isobaric peaks: 3)\"","exact_mass":177.115364,"inchikey":"XSXQTEURGSBFRL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1ccc(C)c(C(=O)N(C)C)c1","spectrum_id":"CCMSLIB00017390284","spectrum_index":204},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_2,5-dimethylbenzoic-acid (known isomers: 7; isobaric peaks: 3)\"","exact_mass":177.115364,"inchikey":"XSXQTEURGSBFRL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1ccc(C)c(C(=O)N(C)C)c1","spectrum_id":"CCMSLIB00017390285","spectrum_index":205},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-iodo-5-methoxybenzoic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":304.991277,"inchikey":"RRLCTUUSGZIZQD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.999,"smiles":"COc1ccc(I)c(C(=O)N(C)C)c1","spectrum_id":"CCMSLIB00017390286","spectrum_index":206},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-iodo-5-methoxybenzoic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":304.991277,"inchikey":"RRLCTUUSGZIZQD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.999,"smiles":"COc1ccc(I)c(C(=O)N(C)C)c1","spectrum_id":"CCMSLIB00017390287","spectrum_index":207},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_2,6-dimethylbenzoic-acid (known isomers: 7; isobaric peaks: 3)\"","exact_mass":177.115364,"inchikey":"HXSLJIHZEBXKML-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1cccc(C)c1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390288","spectrum_index":208},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_2,6-dimethylbenzoic-acid (known isomers: 7; isobaric peaks: 3)\"","exact_mass":177.115364,"inchikey":"HXSLJIHZEBXKML-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1cccc(C)c1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390289","spectrum_index":209},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_2,6-dimethylbenzoic-acid (known isomers: 7; isobaric peaks: 3)\"","exact_mass":177.115364,"inchikey":"HXSLJIHZEBXKML-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1cccc(C)c1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390290","spectrum_index":210},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_2,6-dimethylbenzoic-acid (known isomers: 7; isobaric peaks: 3)\"","exact_mass":177.115364,"inchikey":"HXSLJIHZEBXKML-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1cccc(C)c1C(=O)N(C)C","spectrum_id":"CCMSLIB00017390291","spectrum_index":211},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_3(p-tolyl)propionic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":191.131014,"inchikey":"GJIOZAJJNPBZIK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":192.138,"smiles":"Cc1ccc(CCC(=O)N(C)C)cc1","spectrum_id":"CCMSLIB00017390292","spectrum_index":212},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_3(p-tolyl)propionic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":191.131014,"inchikey":"GJIOZAJJNPBZIK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":192.139,"smiles":"Cc1ccc(CCC(=O)N(C)C)cc1","spectrum_id":"CCMSLIB00017390293","spectrum_index":213},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_3(p-tolyl)propionic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":191.131014,"inchikey":"GJIOZAJJNPBZIK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":192.139,"smiles":"Cc1ccc(CCC(=O)N(C)C)cc1","spectrum_id":"CCMSLIB00017390294","spectrum_index":214},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_2,4-dimethyl-benzoic-acid (known isomers: 7; isobaric peaks: 3)\"","exact_mass":177.115364,"inchikey":"LSRGKRNRJCBSCK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1ccc(C(=O)N(C)C)c(C)c1","spectrum_id":"CCMSLIB00017390296","spectrum_index":215},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_2,4-dimethyl-benzoic-acid (known isomers: 7; isobaric peaks: 3)\"","exact_mass":177.115364,"inchikey":"LSRGKRNRJCBSCK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1ccc(C(=O)N(C)C)c(C)c1","spectrum_id":"CCMSLIB00017390297","spectrum_index":216},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_2,4-dimethyl-benzoic-acid (known isomers: 7; isobaric peaks: 3)\"","exact_mass":177.115364,"inchikey":"LSRGKRNRJCBSCK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1ccc(C(=O)N(C)C)c(C)c1","spectrum_id":"CCMSLIB00017390298","spectrum_index":217},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_2,4-dimethyl-benzoic-acid (known isomers: 7; isobaric peaks: 3)\"","exact_mass":177.115364,"inchikey":"LSRGKRNRJCBSCK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":178.123,"smiles":"Cc1ccc(C(=O)N(C)C)c(C)c1","spectrum_id":"CCMSLIB00017390299","spectrum_index":218},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_flurbiprofen (known isomers: 0; isobaric peaks: 2)","exact_mass":271.137242,"inchikey":"GEGRTLDEDVSYJS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.144,"smiles":"CC(C(=O)N(C)C)c1ccc(-c2ccccc2)c(F)c1","spectrum_id":"CCMSLIB00017390300","spectrum_index":219},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_flurbiprofen (known isomers: 0; isobaric peaks: 2)","exact_mass":271.137242,"inchikey":"GEGRTLDEDVSYJS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.145,"smiles":"CC(C(=O)N(C)C)c1ccc(-c2ccccc2)c(F)c1","spectrum_id":"CCMSLIB00017390301","spectrum_index":220},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_flurbiprofen (known isomers: 0; isobaric peaks: 2)","exact_mass":271.137242,"inchikey":"GEGRTLDEDVSYJS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.145,"smiles":"CC(C(=O)N(C)C)c1ccc(-c2ccccc2)c(F)c1","spectrum_id":"CCMSLIB00017390302","spectrum_index":221},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"3a, 7k, 12k_Carnitine (known isomers: 0; isobaric peaks: 1)\"","exact_mass":547.350903,"inchikey":"XLMSAKNGWCRARV-JSYLCWDMSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":548.358,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C","spectrum_id":"CCMSLIB00017390303","spectrum_index":222},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390304","spectrum_index":223},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"3a, 7a-dihydroxy-12-keto-cholanoic-acid_Carnitine (known isomers: 0; isobaric peaks: 2)\"","exact_mass":549.366553,"inchikey":"FGLHHOKGIVMWPD-DKBBRTFCSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":550.374,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C","spectrum_id":"CCMSLIB00017390305","spectrum_index":224},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4-Hydroxy-3-nitrophenylacetic acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":340.127051,"inchikey":"YXURNQGBDWZVOA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.134,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)Cc1ccc(O)c([N+](=O)[O-])c1","spectrum_id":"CCMSLIB00017390306","spectrum_index":225},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390307","spectrum_index":226},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390308","spectrum_index":227},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390317","spectrum_index":228},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Creatine_mesaconic acid_Acetyl-L-Carnitine (known isomers: 2; isobaric peaks: 0)","exact_mass":384.273656,"inchikey":"GQCMQTPLQYFUBU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.281,"smiles":"CN(C)C(=O)CCCCCCCCCCCC(=O)NC(=N)N(C)CC(=O)O","spectrum_id":"CCMSLIB00017390318","spectrum_index":229},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Creatine_azelic acid_Acetyl-L-Carnitine (known isomers: 6; isobaric peaks: 0)","exact_mass":314.195405,"inchikey":"KHALQEODFQVYCL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.202,"smiles":"CN(C)C(=O)CCCCCCCC(=O)N(CC(=O)O)C(=N)N","spectrum_id":"CCMSLIB00017390319","spectrum_index":230},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Creatine_suberic acid_Acetyl-L-Carnitine (known isomers: 6; isobaric peaks: 0)","exact_mass":314.195405,"inchikey":"WJIZMSPTJYTSJG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.202,"smiles":"CN(C)C(=O)CCCCCCC(=O)NC(=N)N(C)CC(=O)O","spectrum_id":"CCMSLIB00017390320","spectrum_index":231},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Creatine_1,11-undecanedicarboxylic acid_Acetyl-L-Carnitine (known isomers: 6; isobaric peaks: 3)\"","exact_mass":342.226705,"inchikey":"LKAMLLVDMDHTDS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.234,"smiles":"CN(C)C(=O)CN(C(=N)N)C(=O)CCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017390321","spectrum_index":232},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Creatine_tridecanedioic acid_Acetyl-L-Carnitine (known isomers: 2; isobaric peaks: 0)","exact_mass":384.273656,"inchikey":"DIMOUGRXOIQIHX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":385.281,"smiles":"CN(C)C(=O)CN(C)C(=N)NC(=O)CCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017390322","spectrum_index":233},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Creatine_sebacic-acid_Acetyl-L-Carnitine (known isomers: 6; isobaric peaks: 3)","exact_mass":342.226705,"inchikey":"HMYGEIMFQFKFDI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.234,"smiles":"CN(C)C(=O)CCCCCCCCC(=O)NC(=N)N(C)CC(=O)O","spectrum_id":"CCMSLIB00017390323","spectrum_index":234},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Creatine_sebacic-acid_Acetyl-L-Carnitine (known isomers: 6; isobaric peaks: 3)","exact_mass":342.226705,"inchikey":"DBTXJLHHOFSRRG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.234,"smiles":"CN(C)C(=O)CN(C)C(=N)NC(=O)CCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017390324","spectrum_index":235},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Creatine_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 8; isobaric peaks: 0)","exact_mass":356.242356,"inchikey":"PDVSRALRKGVZQO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.249,"smiles":"CN(C)C(=O)CN(C(=N)N)C(=O)CCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017390325","spectrum_index":236},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Creatine_1,11-undecanedicarboxylic acid_Acetyl-L-Carnitine (known isomers: 8; isobaric peaks: 0)\"","exact_mass":356.242356,"inchikey":"BVLBPEMWMWFPFK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.249,"smiles":"CN(C)C(=O)CN(C)C(=N)NC(=O)CCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017390326","spectrum_index":237},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Creatine_suberic acid_Acetyl-L-Carnitine (known isomers: 6; isobaric peaks: 0)","exact_mass":314.195405,"inchikey":"IMJFKDTZFJJOEB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.202,"smiles":"CN(C)C(=O)CN(C)C(=N)NC(=O)CCCCCCC(=O)O","spectrum_id":"CCMSLIB00017390327","spectrum_index":238},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Creatine_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 8; isobaric peaks: 0)","exact_mass":356.242356,"inchikey":"UQLHQYAAWSTXGH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.249,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)N(CC(=O)O)C(=N)N","spectrum_id":"CCMSLIB00017390328","spectrum_index":239},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Creatine_azelic acid_Acetyl-L-Carnitine (known isomers: 6; isobaric peaks: 0)","exact_mass":314.195405,"inchikey":"IAPARQFPPJJCBG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.202,"smiles":"CN(C)C(=O)CN(C(=N)N)C(=O)CCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017390329","spectrum_index":240},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Creatine_1,11-undecanedicarboxylic acid_Acetyl-L-Carnitine (known isomers: 6; isobaric peaks: 3)\"","exact_mass":342.226705,"inchikey":"LNVAAPFNDJSZCY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.234,"smiles":"CN(C)C(=O)CCCCCCCCCC(=O)N(CC(=O)O)C(=N)N","spectrum_id":"CCMSLIB00017390330","spectrum_index":241},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Creatine_1,11-undecanedicarboxylic acid_Acetyl-L-Carnitine (known isomers: 8; isobaric peaks: 0)\"","exact_mass":356.242356,"inchikey":"LQAKXAYXLKYJPV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.249,"smiles":"CN(C)C(=O)CCCCCCCCCC(=O)NC(=N)N(C)CC(=O)O","spectrum_id":"CCMSLIB00017390331","spectrum_index":242},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390332","spectrum_index":243},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390333","spectrum_index":244},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_kojic acid (known isomers: 1; isobaric peaks: 1)","exact_mass":270.133,"inchikey":"LVWVPIZHJVULCB-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":270.133,"smiles":"C[N+](C)(C)CCCC(=O)OCc1cc(=O)c(O)co1","spectrum_id":"CCMSLIB00017390334","spectrum_index":245},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_kojic acid (known isomers: 1; isobaric peaks: 1)","exact_mass":270.133,"inchikey":"LVWVPIZHJVULCB-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":270.133,"smiles":"C[N+](C)(C)CCCC(=O)OCc1cc(=O)c(O)co1","spectrum_id":"CCMSLIB00017390335","spectrum_index":246},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_2,4-Dihydroxyacetophenone (known isomers: 2; isobaric peaks: 1)\"","exact_mass":280.154,"inchikey":"QQYKVXWSBZTNCR-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":280.154,"smiles":"CC(=O)c1ccc(O)cc1OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390336","spectrum_index":247},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_2,4-Dihydroxyacetophenone (known isomers: 2; isobaric peaks: 1)\"","exact_mass":280.154,"inchikey":"QQYKVXWSBZTNCR-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":280.154,"smiles":"CC(=O)c1ccc(O)cc1OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390337","spectrum_index":248},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_benzyl alcohol (known isomers: 1; isobaric peaks: 1)","exact_mass":236.164,"inchikey":"AJFMNSRCGQEOJC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":236.164,"smiles":"C[N+](C)(C)CCCC(=O)OCc1ccccc1","spectrum_id":"CCMSLIB00017390338","spectrum_index":249},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_benzyl alcohol (known isomers: 1; isobaric peaks: 1)","exact_mass":236.164,"inchikey":"AJFMNSRCGQEOJC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":236.164,"smiles":"C[N+](C)(C)CCCC(=O)OCc1ccccc1","spectrum_id":"CCMSLIB00017390339","spectrum_index":250},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_1-octadecanol (known isomers: 0; isobaric peaks: 1)","exact_mass":398.398,"inchikey":"URUCFTNFTIARQG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":398.398,"smiles":"CCCCCCCCCCCCCCCCCCOC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390340","spectrum_index":251},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-nonanol (known isomers: 1; isobaric peaks: 3)","exact_mass":272.258,"inchikey":"KDUOVVJIZDFJFE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.258,"smiles":"CCCCCCCC(C)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390341","spectrum_index":252},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-nonanol (known isomers: 1; isobaric peaks: 3)","exact_mass":272.258,"inchikey":"KDUOVVJIZDFJFE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.258,"smiles":"CCCCCCCC(C)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390342","spectrum_index":253},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_D(-)-Fructose (known isomers: 9; isobaric peaks: 0)","exact_mass":308.17,"inchikey":"RAJAHVBETSDQRX-RAIGVLPGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.17,"smiles":"C[N+](C)(C)CCCC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO","spectrum_id":"CCMSLIB00017390343","spectrum_index":254},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_D-galactose (known isomers: 9; isobaric peaks: 0)","exact_mass":308.17,"inchikey":"LNIQXSJMZWGLDR-YGNMPJRFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.17,"smiles":"C[N+](C)(C)CCCC(=O)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O","spectrum_id":"CCMSLIB00017390344","spectrum_index":255},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_(Z)-4-decen-1-ol (known isomers: 2; isobaric peaks: 1)","exact_mass":284.258,"inchikey":"PQAZVJBXIOSUMI-KTKRTIGZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.258,"smiles":"CCCCC/C=C\\CCCOC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390345","spectrum_index":256},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_(Z)-4-decen-1-ol (known isomers: 2; isobaric peaks: 1)","exact_mass":284.258,"inchikey":"PQAZVJBXIOSUMI-KTKRTIGZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.258,"smiles":"CCCCC/C=C\\CCCOC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390346","spectrum_index":257},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_2,4-decadien-1-ol (known isomers: 0; isobaric peaks: 0)\"","exact_mass":282.242,"inchikey":"CIUJLHNJXFSFBL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.242,"smiles":"CCCCCC=CC=CCOC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390347","spectrum_index":258},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_(S)-2-methyl-1-butanol (known isomers: 2; isobaric peaks: 2)","exact_mass":216.196,"inchikey":"RLLOKVKAPFRMQT-NSHDSACASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.196,"smiles":"CC[C@H](C)COC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390348","spectrum_index":259},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_(S)-2-methyl-1-butanol (known isomers: 2; isobaric peaks: 2)","exact_mass":216.196,"inchikey":"RLLOKVKAPFRMQT-NSHDSACASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.196,"smiles":"CC[C@H](C)COC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390349","spectrum_index":260},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-ethylphenol (known isomers: 0; isobaric peaks: 0)","exact_mass":250.18,"inchikey":"QPDRYAWOTSFLJZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":250.18,"smiles":"CCc1ccccc1OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390350","spectrum_index":261},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_1,2,6-trihydroxyhexane (known isomers: 2; isobaric peaks: 1)\"","exact_mass":262.201,"inchikey":"NXKNSDINWHSEMQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":262.201,"smiles":"C[N+](C)(C)CCCC(=O)OCCCCC(O)CO","spectrum_id":"CCMSLIB00017390351","spectrum_index":262},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_1,2,6-trihydroxyhexane (known isomers: 2; isobaric peaks: 1)\"","exact_mass":262.201,"inchikey":"NXKNSDINWHSEMQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":262.201,"smiles":"C[N+](C)(C)CCCC(=O)OCCCCC(O)CO","spectrum_id":"CCMSLIB00017390352","spectrum_index":263},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_D(-)-Fructose (known isomers: 9; isobaric peaks: 0)","exact_mass":308.17,"inchikey":"HXOQKAWBEXLAKY-OASPWFOLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.17,"smiles":"C[N+](C)(C)CCCC(=O)OCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO","spectrum_id":"CCMSLIB00017390353","spectrum_index":264},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_D-galactose (known isomers: 9; isobaric peaks: 0)","exact_mass":308.17,"inchikey":"ANHBWSBAKXVXQU-YGNMPJRFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.17,"smiles":"C[N+](C)(C)CCCC(=O)O[C@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO","spectrum_id":"CCMSLIB00017390354","spectrum_index":265},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_3-methyl-2-butanol (known isomers: 2; isobaric peaks: 2)","exact_mass":216.196,"inchikey":"ROJCXWUJMYTFLH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.196,"smiles":"CC(C)C(C)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390355","spectrum_index":266},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_3-methyl-2-butanol (known isomers: 2; isobaric peaks: 2)","exact_mass":216.196,"inchikey":"ROJCXWUJMYTFLH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.196,"smiles":"CC(C)C(C)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390356","spectrum_index":267},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_1,2,6-trihydroxyhexane (known isomers: 2; isobaric peaks: 1)\"","exact_mass":262.201,"inchikey":"NTXQDQLDGDACCT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":262.201,"smiles":"C[N+](C)(C)CCCC(=O)OCC(O)CCCCO","spectrum_id":"CCMSLIB00017390357","spectrum_index":268},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_1,2,6-trihydroxyhexane (known isomers: 2; isobaric peaks: 1)\"","exact_mass":262.201,"inchikey":"NTXQDQLDGDACCT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":262.201,"smiles":"C[N+](C)(C)CCCC(=O)OCC(O)CCCCO","spectrum_id":"CCMSLIB00017390358","spectrum_index":269},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_syringaldehyde (known isomers: 0; isobaric peaks: 0)","exact_mass":310.164,"inchikey":"XFPLQYCFAHUQKE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.164,"smiles":"COc1cc(C=O)cc(OC)c1OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390359","spectrum_index":270},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_cholesterol (known isomers: 0; isobaric peaks: 0)","exact_mass":514.461,"inchikey":"MNOLBJDPCOPLKI-DYQRUOQXSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":514.461,"smiles":"CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC[N+](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390360","spectrum_index":271},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_(S)-2-hexanol (known isomers: 1; isobaric peaks: 4)","exact_mass":230.211,"inchikey":"LNOCWFJLBFVYBO-LBPRGKRZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.211,"smiles":"CCCC[C@H](C)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390361","spectrum_index":272},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_(S)-2-hexanol (known isomers: 1; isobaric peaks: 4)","exact_mass":230.211,"inchikey":"LNOCWFJLBFVYBO-LBPRGKRZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.211,"smiles":"CCCC[C@H](C)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390362","spectrum_index":273},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_(S)-2-hexanol (known isomers: 1; isobaric peaks: 4)","exact_mass":230.211,"inchikey":"LNOCWFJLBFVYBO-LBPRGKRZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.211,"smiles":"CCCC[C@H](C)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390363","spectrum_index":274},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_(S)-2-hexanol (known isomers: 1; isobaric peaks: 4)","exact_mass":230.211,"inchikey":"LNOCWFJLBFVYBO-LBPRGKRZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.211,"smiles":"CCCC[C@H](C)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390364","spectrum_index":275},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_methyl 4-hydroxyphenylacetate (known isomers: 1; isobaric peaks: 1)","exact_mass":294.169,"inchikey":"SNMSKOUDCUQXMU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":294.169,"smiles":"COC(=O)Cc1ccc(OC(=O)CCC[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017390365","spectrum_index":276},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_methyl 4-hydroxyphenylacetate (known isomers: 1; isobaric peaks: 1)","exact_mass":294.169,"inchikey":"SNMSKOUDCUQXMU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":294.169,"smiles":"COC(=O)Cc1ccc(OC(=O)CCC[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017390366","spectrum_index":277},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_chimyl alcohol (known isomers: 1; isobaric peaks: 0)","exact_mass":444.404,"inchikey":"ZRTUKOMKRMOHDN-VWLOTQADSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.404,"smiles":"CCCCCCCCCCCCCCCCOC[C@H](CO)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390367","spectrum_index":278},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_estrone (known isomers: 0; isobaric peaks: 0)","exact_mass":398.269,"inchikey":"ZVKJNYLGWDNFKD-APDHKMKFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":398.269,"smiles":"C[C@]12CC[C@@H]3c4ccc(OC(=O)CCC[N+](C)(C)C)cc4CC[C@H]3[C@@H]1CCC2=O","spectrum_id":"CCMSLIB00017390368","spectrum_index":279},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_dl-2-octanol (known isomers: 0; isobaric peaks: 1)","exact_mass":258.242,"inchikey":"NPXSEJOTKAKNDH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":258.242,"smiles":"CCCCCCC(C)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390369","spectrum_index":280},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_D-galactose (known isomers: 9; isobaric peaks: 0)","exact_mass":308.17,"inchikey":"IOFWGSKBYCVMDH-RSLMWUCJSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.17,"smiles":"C[N+](C)(C)CCCC(=O)O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)CO","spectrum_id":"CCMSLIB00017390370","spectrum_index":281},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_1,3-propanediol (known isomers: 0; isobaric peaks: 2)\"","exact_mass":204.159,"inchikey":"UTOMMFCBFBXIRA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":204.159,"smiles":"C[N+](C)(C)CCCC(=O)OCCCO","spectrum_id":"CCMSLIB00017390371","spectrum_index":282},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_1,3-propanediol (known isomers: 0; isobaric peaks: 2)\"","exact_mass":204.159,"inchikey":"UTOMMFCBFBXIRA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":204.159,"smiles":"C[N+](C)(C)CCCC(=O)OCCCO","spectrum_id":"CCMSLIB00017390372","spectrum_index":283},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_1,3-propanediol (known isomers: 0; isobaric peaks: 2)\"","exact_mass":204.159,"inchikey":"UTOMMFCBFBXIRA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":204.159,"smiles":"C[N+](C)(C)CCCC(=O)OCCCO","spectrum_id":"CCMSLIB00017390373","spectrum_index":284},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-dodecanol (known isomers: 1; isobaric peaks: 1)","exact_mass":314.305,"inchikey":"XAQWYNRHXYEURI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.305,"smiles":"CCCCCCCCCCC(C)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390374","spectrum_index":285},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_lauryl alcohol (known isomers: 1; isobaric peaks: 1)","exact_mass":314.305,"inchikey":"GWPKWGKWWXHFJW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.305,"smiles":"CCCCCCCCCCCCOC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390375","spectrum_index":286},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_p-cresol (known isomers: 1; isobaric peaks: 1)","exact_mass":236.164,"inchikey":"BJIMYEBSXINZEE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":236.164,"smiles":"Cc1ccc(OC(=O)CCC[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017390376","spectrum_index":287},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_p-cresol (known isomers: 1; isobaric peaks: 1)","exact_mass":236.164,"inchikey":"BJIMYEBSXINZEE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":236.164,"smiles":"Cc1ccc(OC(=O)CCC[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017390377","spectrum_index":288},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_hydroquinone (known isomers: 1; isobaric peaks: 1)","exact_mass":238.143,"inchikey":"AJSREVCRFVVYQZ-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":238.143,"smiles":"C[N+](C)(C)CCCC(=O)Oc1ccc(O)cc1","spectrum_id":"CCMSLIB00017390378","spectrum_index":289},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_hydroquinone (known isomers: 1; isobaric peaks: 1)","exact_mass":238.143,"inchikey":"AJSREVCRFVVYQZ-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":238.143,"smiles":"C[N+](C)(C)CCCC(=O)Oc1ccc(O)cc1","spectrum_id":"CCMSLIB00017390379","spectrum_index":290},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-methyl-2-propanol (known isomers: 0; isobaric peaks: 1)","exact_mass":202.18,"inchikey":"UJBVUPANJBQPPV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":202.18,"smiles":"CC(C)(C)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390380","spectrum_index":291},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_3-hydroxybenzaldehyde (known isomers: 0; isobaric peaks: 1)","exact_mass":250.143,"inchikey":"NLFHFXDVBUSFQR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":250.143,"smiles":"C[N+](C)(C)CCCC(=O)Oc1cccc(C=O)c1","spectrum_id":"CCMSLIB00017390381","spectrum_index":292},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_D(-)-Fructose (known isomers: 9; isobaric peaks: 0)","exact_mass":308.17,"inchikey":"KNIKMZHKLWMWOA-OASPWFOLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.17,"smiles":"C[N+](C)(C)CCCC(=O)O[C@H](C(=O)CO)[C@H](O)[C@H](O)CO","spectrum_id":"CCMSLIB00017390382","spectrum_index":293},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_dehydroepiandrosterone (known isomers: 0; isobaric peaks: 0)","exact_mass":416.315,"inchikey":"WAHVYPXYMZXDLC-BNCSLUSBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":416.315,"smiles":"C[C@]12CC[C@H](OC(=O)CCC[N+](C)(C)C)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12","spectrum_id":"CCMSLIB00017390383","spectrum_index":294},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_D-galactose (known isomers: 9; isobaric peaks: 0)","exact_mass":308.17,"inchikey":"XYSMORWPTCOPSH-RSLMWUCJSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.17,"smiles":"C[N+](C)(C)CCCC(=O)O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O)C=O","spectrum_id":"CCMSLIB00017390384","spectrum_index":295},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-amino-2-methyl-1-propanol (known isomers: 0; isobaric peaks: 1)","exact_mass":217.191,"inchikey":"UFTOVFYEUYICKN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":217.191,"smiles":"CC(C)(N)COC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390385","spectrum_index":296},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-heptanol (known isomers: 1; isobaric peaks: 2)","exact_mass":244.227,"inchikey":"IHQFVAMJMQUZBQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.227,"smiles":"CCCCCC(C)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390386","spectrum_index":297},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-heptanol (known isomers: 1; isobaric peaks: 2)","exact_mass":244.227,"inchikey":"IHQFVAMJMQUZBQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.227,"smiles":"CCCCCC(C)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390387","spectrum_index":298},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-decanol (known isomers: 0; isobaric peaks: 1)","exact_mass":286.274,"inchikey":"ZYGFJDYERQVTKE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.274,"smiles":"CCCCCCCCC(C)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390388","spectrum_index":299},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_D(-)-Fructose (known isomers: 9; isobaric peaks: 0)","exact_mass":308.17,"inchikey":"IRIKHPIDISZGJY-RAIGVLPGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.17,"smiles":"C[N+](C)(C)CCCC(=O)O[C@H](CO)[C@@H](O)[C@H](O)C(=O)CO","spectrum_id":"CCMSLIB00017390389","spectrum_index":300},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_1,2,6-trihydroxyhexane (known isomers: 2; isobaric peaks: 1)\"","exact_mass":262.201,"inchikey":"BMQGDAVYFJIJFA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":262.201,"smiles":"C[N+](C)(C)CCCC(=O)OC(CO)CCCCO","spectrum_id":"CCMSLIB00017390390","spectrum_index":301},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_1,2,6-trihydroxyhexane (known isomers: 2; isobaric peaks: 1)\"","exact_mass":262.201,"inchikey":"BMQGDAVYFJIJFA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":262.201,"smiles":"C[N+](C)(C)CCCC(=O)OC(CO)CCCCO","spectrum_id":"CCMSLIB00017390391","spectrum_index":302},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_1-octacosanol (known isomers: 0; isobaric peaks: 0)","exact_mass":538.555,"inchikey":"YBMRBVRNCFJTPI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":538.555,"smiles":"CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390392","spectrum_index":303},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_L(-)-menthol (known isomers: 2; isobaric peaks: 1)","exact_mass":284.258,"inchikey":"MNQFXLQONRTFLI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.258,"smiles":"CC1CCC(C(C)C)C(OC(=O)CCC[N+](C)(C)C)C1","spectrum_id":"CCMSLIB00017390393","spectrum_index":304},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_L(-)-menthol (known isomers: 2; isobaric peaks: 1)","exact_mass":284.258,"inchikey":"MNQFXLQONRTFLI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.258,"smiles":"CC1CCC(C(C)C)C(OC(=O)CCC[N+](C)(C)C)C1","spectrum_id":"CCMSLIB00017390394","spectrum_index":305},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-methyl-3-pentanol (known isomers: 1; isobaric peaks: 4)","exact_mass":230.211,"inchikey":"ZRZMZJJRBFXTTC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.211,"smiles":"CCC(OC(=O)CCC[N+](C)(C)C)C(C)C","spectrum_id":"CCMSLIB00017390395","spectrum_index":306},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-methyl-3-pentanol (known isomers: 1; isobaric peaks: 4)","exact_mass":230.211,"inchikey":"ZRZMZJJRBFXTTC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.211,"smiles":"CCC(OC(=O)CCC[N+](C)(C)C)C(C)C","spectrum_id":"CCMSLIB00017390396","spectrum_index":307},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-methyl-3-pentanol (known isomers: 1; isobaric peaks: 4)","exact_mass":230.211,"inchikey":"ZRZMZJJRBFXTTC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.211,"smiles":"CCC(OC(=O)CCC[N+](C)(C)C)C(C)C","spectrum_id":"CCMSLIB00017390397","spectrum_index":308},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-methyl-3-pentanol (known isomers: 1; isobaric peaks: 4)","exact_mass":230.211,"inchikey":"ZRZMZJJRBFXTTC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.211,"smiles":"CCC(OC(=O)CCC[N+](C)(C)C)C(C)C","spectrum_id":"CCMSLIB00017390398","spectrum_index":309},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_1,2-butanediol (known isomers: 2; isobaric peaks: 1)\"","exact_mass":218.175,"inchikey":"XTNWCTYEISOLHA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":218.175,"smiles":"CCC(O)COC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390399","spectrum_index":310},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_bisphenol A (known isomers: 0; isobaric peaks: 0)","exact_mass":356.221,"inchikey":"DCAAFYLDCMCGMC-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":356.221,"smiles":"CC(C)(c1ccc(O)cc1)c1ccc(OC(=O)CCC[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017390400","spectrum_index":311},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_4-methyl-2-nitrophenol (known isomers: 0; isobaric peaks: 0)","exact_mass":281.149,"inchikey":"XSEBTBGQDKGGPF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.149,"smiles":"Cc1ccc(OC(=O)CCC[N+](C)(C)C)c([N+](=O)[O-])c1","spectrum_id":"CCMSLIB00017390401","spectrum_index":312},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-deccen-1-ol (known isomers: 2; isobaric peaks: 1)","exact_mass":284.258,"inchikey":"KEOLSPMBFDQPNM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.258,"smiles":"CCCCCCCC=CCOC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390402","spectrum_index":313},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-deccen-1-ol (known isomers: 2; isobaric peaks: 1)","exact_mass":284.258,"inchikey":"KEOLSPMBFDQPNM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.258,"smiles":"CCCCCCCC=CCOC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390403","spectrum_index":314},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-methyl-3-buten-2-ol (known isomers: 1; isobaric peaks: 0)","exact_mass":214.18,"inchikey":"DVBZXHGMUCCUGH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":214.18,"smiles":"C=CC(C)(C)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390404","spectrum_index":315},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_catechol (known isomers: 1; isobaric peaks: 1)","exact_mass":238.143,"inchikey":"GMWKDFVRBNFMPB-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":238.143,"smiles":"C[N+](C)(C)CCCC(=O)Oc1ccccc1O","spectrum_id":"CCMSLIB00017390405","spectrum_index":316},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_catechol (known isomers: 1; isobaric peaks: 1)","exact_mass":238.143,"inchikey":"GMWKDFVRBNFMPB-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":238.143,"smiles":"C[N+](C)(C)CCCC(=O)Oc1ccccc1O","spectrum_id":"CCMSLIB00017390406","spectrum_index":317},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_behenyl alcohol (known isomers: 0; isobaric peaks: 0)","exact_mass":454.46,"inchikey":"KQRROYOOZPTQDB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":454.46,"smiles":"CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390407","spectrum_index":318},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_(R)-methyl mandelate (known isomers: 1; isobaric peaks: 1)","exact_mass":294.169,"inchikey":"GFXSBESJTRRVJC-OAHLLOKOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":294.169,"smiles":"COC(=O)[C@H](OC(=O)CCC[N+](C)(C)C)c1ccccc1","spectrum_id":"CCMSLIB00017390408","spectrum_index":319},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_(R)-methyl mandelate (known isomers: 1; isobaric peaks: 1)","exact_mass":294.169,"inchikey":"GFXSBESJTRRVJC-OAHLLOKOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":294.169,"smiles":"COC(=O)[C@H](OC(=O)CCC[N+](C)(C)C)c1ccccc1","spectrum_id":"CCMSLIB00017390409","spectrum_index":320},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_1-pentanol (known isomers: 2; isobaric peaks: 2)","exact_mass":216.196,"inchikey":"QJQORCSFBYAYNO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.196,"smiles":"CCCCCOC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390410","spectrum_index":321},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_1-pentanol (known isomers: 2; isobaric peaks: 2)","exact_mass":216.196,"inchikey":"QJQORCSFBYAYNO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.196,"smiles":"CCCCCOC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390411","spectrum_index":322},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-hydroxy-4-methoxybenzaldehyde (known isomers: 2; isobaric peaks: 1)","exact_mass":280.154,"inchikey":"IXTROZTZYVAVNR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":280.154,"smiles":"COc1ccc(C=O)c(OC(=O)CCC[N+](C)(C)C)c1","spectrum_id":"CCMSLIB00017390412","spectrum_index":323},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-hydroxy-4-methoxybenzaldehyde (known isomers: 2; isobaric peaks: 1)","exact_mass":280.154,"inchikey":"IXTROZTZYVAVNR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":280.154,"smiles":"COc1ccc(C=O)c(OC(=O)CCC[N+](C)(C)C)c1","spectrum_id":"CCMSLIB00017390413","spectrum_index":324},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_D-galactose (known isomers: 9; isobaric peaks: 0)","exact_mass":308.17,"inchikey":"VJIFAFAOTWOTCK-YGNMPJRFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.17,"smiles":"C[N+](C)(C)CCCC(=O)O[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)C=O","spectrum_id":"CCMSLIB00017390414","spectrum_index":325},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_1-hepatanol (known isomers: 1; isobaric peaks: 2)","exact_mass":244.227,"inchikey":"RCZOVFHTYNKAHK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.227,"smiles":"CCCCCCCOC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390415","spectrum_index":326},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_1-hepatanol (known isomers: 1; isobaric peaks: 2)","exact_mass":244.227,"inchikey":"RCZOVFHTYNKAHK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.227,"smiles":"CCCCCCCOC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390416","spectrum_index":327},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_2,4-Dihydroxyacetophenone (known isomers: 2; isobaric peaks: 1)\"","exact_mass":280.154,"inchikey":"KBSPASRJFOIBNQ-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":280.154,"smiles":"CC(=O)c1ccc(OC(=O)CCC[N+](C)(C)C)cc1O","spectrum_id":"CCMSLIB00017390417","spectrum_index":328},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_2,4-Dihydroxyacetophenone (known isomers: 2; isobaric peaks: 1)\"","exact_mass":280.154,"inchikey":"KBSPASRJFOIBNQ-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":280.154,"smiles":"CC(=O)c1ccc(OC(=O)CCC[N+](C)(C)C)cc1O","spectrum_id":"CCMSLIB00017390418","spectrum_index":329},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_2,3-butanediol (known isomers: 2; isobaric peaks: 1)\"","exact_mass":218.175,"inchikey":"ULRNZUNUGYWBAW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":218.175,"smiles":"CC(O)C(C)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390419","spectrum_index":330},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_3-methyl-2-buten-1-ol (known isomers: 1; isobaric peaks: 0)","exact_mass":214.18,"inchikey":"YKCDHXLTVZVIBS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":214.18,"smiles":"CC(C)=CCOC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390420","spectrum_index":331},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_1,2-butanediol (known isomers: 2; isobaric peaks: 1)\"","exact_mass":218.175,"inchikey":"KHXXOJRDIKQQQU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":218.175,"smiles":"CCC(CO)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390421","spectrum_index":332},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_1-hexacosanol (known isomers: 0; isobaric peaks: 1)","exact_mass":510.524,"inchikey":"MYLDKIYKDFEFIZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":510.524,"smiles":"CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390422","spectrum_index":333},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_farnesol (known isomers: 0; isobaric peaks: 0)","exact_mass":350.304,"inchikey":"NXOTVCACSHTRCG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":350.304,"smiles":"CC(C)=CCCC(C)=CCCC(C)=CCOC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390423","spectrum_index":334},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_D(-)-Fructose (known isomers: 9; isobaric peaks: 0)","exact_mass":308.17,"inchikey":"AYELHQGBHPBJAD-RAIGVLPGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.17,"smiles":"C[N+](C)(C)CCCC(=O)O[C@H]([C@H](O)CO)[C@H](O)C(=O)CO","spectrum_id":"CCMSLIB00017390424","spectrum_index":335},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_2-butene-1,4-diol (known isomers: 0; isobaric peaks: 1)\"","exact_mass":216.159,"inchikey":"QYOUZFDNDMCGPE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.159,"smiles":"C[N+](C)(C)CCCC(=O)OCC=CCO","spectrum_id":"CCMSLIB00017390425","spectrum_index":336},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_2-butene-1,4-diol (known isomers: 0; isobaric peaks: 1)\"","exact_mass":216.159,"inchikey":"QYOUZFDNDMCGPE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.159,"smiles":"C[N+](C)(C)CCCC(=O)OCC=CCO","spectrum_id":"CCMSLIB00017390426","spectrum_index":337},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_tetraethylene glycol (known isomers: 0; isobaric peaks: 1)","exact_mass":322.221,"inchikey":"XKVYFFROHUHXBC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":322.221,"smiles":"C[N+](C)(C)CCCC(=O)OCCOCCOCCOCCO","spectrum_id":"CCMSLIB00017390427","spectrum_index":338},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_tetraethylene glycol (known isomers: 0; isobaric peaks: 1)","exact_mass":322.222,"inchikey":"XKVYFFROHUHXBC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":322.222,"smiles":"C[N+](C)(C)CCCC(=O)OCCOCCOCCOCCO","spectrum_id":"CCMSLIB00017390428","spectrum_index":339},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_chimyl alcohol (known isomers: 1; isobaric peaks: 0)","exact_mass":444.404,"inchikey":"UFSJUTCBHFYDEW-RUZDIDTESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":444.404,"smiles":"CCCCCCCCCCCCCCCCOC[C@@H](O)COC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390429","spectrum_index":340},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_5-nonanol (known isomers: 1; isobaric peaks: 3)","exact_mass":272.258,"inchikey":"ZWAJMWCNSWKXJE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.258,"smiles":"CCCCC(CCCC)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390430","spectrum_index":341},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_5-nonanol (known isomers: 1; isobaric peaks: 3)","exact_mass":272.258,"inchikey":"ZWAJMWCNSWKXJE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.258,"smiles":"CCCCC(CCCC)OC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390431","spectrum_index":342},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_kojic acid (known isomers: 1; isobaric peaks: 1)","exact_mass":270.133,"inchikey":"FBVOBKXIBXYBOP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":270.133,"smiles":"C[N+](C)(C)CCCC(=O)Oc1coc(CO)cc1=O","spectrum_id":"CCMSLIB00017390432","spectrum_index":343},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_kojic acid (known isomers: 1; isobaric peaks: 1)","exact_mass":270.133,"inchikey":"FBVOBKXIBXYBOP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":270.133,"smiles":"C[N+](C)(C)CCCC(=O)Oc1coc(CO)cc1=O","spectrum_id":"CCMSLIB00017390433","spectrum_index":344},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390434","spectrum_index":345},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390435","spectrum_index":346},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_estrone (known isomers: 0; isobaric peaks: 0)","exact_mass":456.274,"inchikey":"VEKWZDPOUHXKQR-SSPXWRALSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":456.274,"smiles":"CC(=O)OC(CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390437","spectrum_index":347},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-methyl-3-buten-2-ol (known isomers: 1; isobaric peaks: 0)","exact_mass":272.186,"inchikey":"RPUNFTJAHGAWNW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.186,"smiles":"C=CC(C)(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390438","spectrum_index":348},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_L(-)-menthol (known isomers: 2; isobaric peaks: 1)","exact_mass":342.263,"inchikey":"GEYJPFMIHAIWAM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":342.263,"smiles":"CC(=O)OC(CC(=O)OC1CC(C)CCC1C(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390439","spectrum_index":349},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_benzyl alcohol (known isomers: 1; isobaric peaks: 1)","exact_mass":294.17,"inchikey":"SUOQHQWVWGOLQC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":294.17,"smiles":"CC(=O)OC(CC(=O)OCc1ccccc1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390440","spectrum_index":350},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_benzyl alcohol (known isomers: 1; isobaric peaks: 1)","exact_mass":294.17,"inchikey":"SUOQHQWVWGOLQC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":294.17,"smiles":"CC(=O)OC(CC(=O)OCc1ccccc1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390441","spectrum_index":351},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_(S)-(+)-2-hexanol (known isomers: 1; isobaric peaks: 3)","exact_mass":288.216,"inchikey":"STZPPPZPQYRSOS-NBFOIZRFSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.216,"smiles":"CCCC[C@H](C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390442","spectrum_index":352},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-dodecanol (known isomers: 1; isobaric peaks: 0)","exact_mass":372.311,"inchikey":"QUEITRLLTJIZSY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":372.311,"smiles":"CCCCCCCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390443","spectrum_index":353},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_(Z)-4-decen-1-ol (known isomers: 2; isobaric peaks: 1)","exact_mass":342.263,"inchikey":"ODFXLYYNBOVBFR-KHPPLWFESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":342.263,"smiles":"CCCCC/C=C\\CCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390444","spectrum_index":354},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_1,2,6-trihydroxyhexane (known isomers: 2; isobaric peaks: 4)\"","exact_mass":320.207,"inchikey":"IRHATWGPJPMDQV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.207,"smiles":"CC(=O)OC(CC(=O)OCCCCC(O)CO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390445","spectrum_index":355},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_1,2,6-trihydroxyhexane (known isomers: 2; isobaric peaks: 4)\"","exact_mass":320.206,"inchikey":"IRHATWGPJPMDQV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.206,"smiles":"CC(=O)OC(CC(=O)OCCCCC(O)CO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390446","spectrum_index":356},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_1,2,6-trihydroxyhexane (known isomers: 2; isobaric peaks: 4)\"","exact_mass":320.207,"inchikey":"IRHATWGPJPMDQV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.207,"smiles":"CC(=O)OC(CC(=O)OCCCCC(O)CO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390447","spectrum_index":357},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_dl-2-octanol (known isomers: 0; isobaric peaks: 1)","exact_mass":316.248,"inchikey":"UHQITLZDUCHFKF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.248,"smiles":"CCCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390448","spectrum_index":358},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_dl-2-octanol (known isomers: 0; isobaric peaks: 1)","exact_mass":316.248,"inchikey":"UHQITLZDUCHFKF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.248,"smiles":"CCCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390449","spectrum_index":359},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-octacosanol (known isomers: 0; isobaric peaks: 0)","exact_mass":596.561,"inchikey":"RQJQOYXXRAGNGB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":596.561,"smiles":"CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390450","spectrum_index":360},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_(R)-(-)-methyl mandelate (known isomers: 1; isobaric peaks: 0)","exact_mass":352.176,"inchikey":"IGDUVKRQYVXRIC-OMOCHNIRSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":352.176,"smiles":"COC(=O)[C@H](OC(=O)CC(C[N+](C)(C)C)OC(C)=O)c1ccccc1","spectrum_id":"CCMSLIB00017390451","spectrum_index":361},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_cholesterol (known isomers: 0; isobaric peaks: 0)","exact_mass":572.466,"inchikey":"MMCYPMYETXKYSI-JGGRRTKBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":572.466,"smiles":"CC(=O)OC(CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390452","spectrum_index":362},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-methyl-2-propanol (known isomers: 0; isobaric peaks: 0)","exact_mass":260.185,"inchikey":"XSXPVYAAFLPKRR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":260.185,"smiles":"CC(=O)OC(CC(=O)OC(C)(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390453","spectrum_index":363},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_dehydroepiandrosterone (known isomers: 0; isobaric peaks: 0)","exact_mass":474.321,"inchikey":"UVSZVUMNSLGNEG-DNCPTQNMSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":474.321,"smiles":"CC(=O)OC(CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390454","spectrum_index":364},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_bisphenol A (known isomers: 0; isobaric peaks: 1)","exact_mass":414.227,"inchikey":"JQXYKZWIHCCGBB-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":414.227,"smiles":"CC(=O)OC(CC(=O)Oc1ccc(C(C)(C)c2ccc(O)cc2)cc1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390455","spectrum_index":365},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-decanol (known isomers: 0; isobaric peaks: 1)","exact_mass":344.279,"inchikey":"REEDYDTWMMHPBW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.279,"smiles":"CCCCCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390456","spectrum_index":366},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_(S)-(-)-2-methyl-1-butanol (known isomers: 2; isobaric peaks: 3)","exact_mass":274.201,"inchikey":"GUCJJLFGXHTOJE-AMGKYWFPSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CC[C@H](C)COC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390457","spectrum_index":367},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_(S)-(-)-2-methyl-1-butanol (known isomers: 2; isobaric peaks: 3)","exact_mass":274.201,"inchikey":"GUCJJLFGXHTOJE-AMGKYWFPSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CC[C@H](C)COC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390458","spectrum_index":368},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_(S)-(-)-2-methyl-1-butanol (known isomers: 2; isobaric peaks: 3)","exact_mass":274.201,"inchikey":"GUCJJLFGXHTOJE-AMGKYWFPSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CC[C@H](C)COC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390459","spectrum_index":369},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_2,6-di-tert-butyl-4-methylphenol (known isomers: 0; isobaric peaks: 3)\"","exact_mass":406.295,"inchikey":"BWQQTHPHAXDRSA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.295,"smiles":"CC(=O)OC(CC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390460","spectrum_index":370},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_1,2,6-trihydroxyhexane (known isomers: 2; isobaric peaks: 4)\"","exact_mass":320.207,"inchikey":"SDNRFXPZWSRSCE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.207,"smiles":"CC(=O)OC(CC(=O)OC(CO)CCCCO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390461","spectrum_index":371},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_1,2,6-trihydroxyhexane (known isomers: 2; isobaric peaks: 4)\"","exact_mass":320.206,"inchikey":"SDNRFXPZWSRSCE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.206,"smiles":"CC(=O)OC(CC(=O)OC(CO)CCCCO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390462","spectrum_index":372},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_1,2,6-trihydroxyhexane (known isomers: 2; isobaric peaks: 4)\"","exact_mass":320.207,"inchikey":"SDNRFXPZWSRSCE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.207,"smiles":"CC(=O)OC(CC(=O)OC(CO)CCCCO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390463","spectrum_index":373},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_lauryl alcohol (known isomers: 1; isobaric peaks: 0)","exact_mass":372.311,"inchikey":"FHAUJVQEDFVWJH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":372.311,"smiles":"CCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390464","spectrum_index":374},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_3-methyl-2-buten-1-ol (known isomers: 1; isobaric peaks: 0)","exact_mass":272.186,"inchikey":"LOCKNPXILIALDU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.186,"smiles":"CC(=O)OC(CC(=O)OCC=C(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390465","spectrum_index":375},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_2,4-Dihydroxyacetophenone (known isomers: 2; isobaric peaks: 0)\"","exact_mass":338.159,"inchikey":"GXOQOTCLVAUALO-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":338.159,"smiles":"CC(=O)OC(CC(=O)Oc1ccc(C(C)=O)c(O)c1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390466","spectrum_index":376},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_2,4-Dihydroxyacetophenone (known isomers: 2; isobaric peaks: 0)\"","exact_mass":338.159,"inchikey":"APLQOIMSWNPETI-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":338.159,"smiles":"CC(=O)OC(CC(=O)Oc1cc(O)ccc1C(C)=O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390467","spectrum_index":377},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-hepatanol (known isomers: 1; isobaric peaks: 2)","exact_mass":302.232,"inchikey":"NAMLDGVSHROGFZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.232,"smiles":"CCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390468","spectrum_index":378},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-hepatanol (known isomers: 1; isobaric peaks: 2)","exact_mass":302.232,"inchikey":"NAMLDGVSHROGFZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.232,"smiles":"CCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390469","spectrum_index":379},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-ethylphenol (known isomers: 0; isobaric peaks: 0)","exact_mass":308.185,"inchikey":"OPBPOSGISKJZTA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.185,"smiles":"CCc1ccccc1OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390470","spectrum_index":380},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-heptanol (known isomers: 1; isobaric peaks: 2)","exact_mass":302.232,"inchikey":"MWKXATHUTOKCNP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.232,"smiles":"CCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390471","spectrum_index":381},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-heptanol (known isomers: 1; isobaric peaks: 2)","exact_mass":302.232,"inchikey":"MWKXATHUTOKCNP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.232,"smiles":"CCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390472","spectrum_index":382},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_3-methyl-2-butanol (known isomers: 2; isobaric peaks: 3)","exact_mass":274.201,"inchikey":"YNHJECMYHASNND-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CC(=O)OC(CC(=O)OC(C)C(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390473","spectrum_index":383},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_3-methyl-2-butanol (known isomers: 2; isobaric peaks: 3)","exact_mass":274.201,"inchikey":"YNHJECMYHASNND-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CC(=O)OC(CC(=O)OC(C)C(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390474","spectrum_index":384},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_3-methyl-2-butanol (known isomers: 2; isobaric peaks: 3)","exact_mass":274.201,"inchikey":"YNHJECMYHASNND-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CC(=O)OC(CC(=O)OC(C)C(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390475","spectrum_index":385},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_methyl 4-hydroxyphenylacetate (known isomers: 1; isobaric peaks: 0)","exact_mass":352.176,"inchikey":"XQTWIYLCAJJBLJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":352.176,"smiles":"COC(=O)Cc1ccc(OC(=O)CC(C[N+](C)(C)C)OC(C)=O)cc1","spectrum_id":"CCMSLIB00017390476","spectrum_index":386},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-methyl-3-pentanol (known isomers: 1; isobaric peaks: 3)","exact_mass":288.216,"inchikey":"DSGAYLFUAFJPDU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.216,"smiles":"CCC(OC(=O)CC(C[N+](C)(C)C)OC(C)=O)C(C)C","spectrum_id":"CCMSLIB00017390477","spectrum_index":387},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_farnesol (known isomers: 0; isobaric peaks: 3)","exact_mass":408.311,"inchikey":"VPQZDTOYIWNZKL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":408.311,"smiles":"CC(=O)OC(CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390478","spectrum_index":388},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_1,2,6-trihydroxyhexane (known isomers: 2; isobaric peaks: 4)\"","exact_mass":320.207,"inchikey":"APJYTWTYWGCAEO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.207,"smiles":"CC(=O)OC(CC(=O)OCC(O)CCCCO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390479","spectrum_index":389},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_1,2,6-trihydroxyhexane (known isomers: 2; isobaric peaks: 4)\"","exact_mass":320.206,"inchikey":"APJYTWTYWGCAEO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.206,"smiles":"CC(=O)OC(CC(=O)OCC(O)CCCCO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390480","spectrum_index":390},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_1,2,6-trihydroxyhexane (known isomers: 2; isobaric peaks: 4)\"","exact_mass":320.207,"inchikey":"APJYTWTYWGCAEO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.207,"smiles":"CC(=O)OC(CC(=O)OCC(O)CCCCO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390481","spectrum_index":391},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_chimyl alcohol (known isomers: 1; isobaric peaks: 0)","exact_mass":502.41,"inchikey":"GLCCQGZQLTYWFO-GEVKEYJPSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":502.41,"smiles":"CCCCCCCCCCCCCCCCOC[C@H](CO)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390482","spectrum_index":392},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-pentanol (known isomers: 2; isobaric peaks: 3)","exact_mass":274.201,"inchikey":"PXKZMIPNWASVJE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390483","spectrum_index":393},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-pentanol (known isomers: 2; isobaric peaks: 3)","exact_mass":274.201,"inchikey":"PXKZMIPNWASVJE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390484","spectrum_index":394},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-pentanol (known isomers: 2; isobaric peaks: 3)","exact_mass":274.201,"inchikey":"PXKZMIPNWASVJE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390485","spectrum_index":395},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-deccen-1-ol (known isomers: 2; isobaric peaks: 1)","exact_mass":342.263,"inchikey":"BKVCCKARQBIIBE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":342.263,"smiles":"CCCCCCCC=CCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390486","spectrum_index":396},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_5-nonanol (known isomers: 1; isobaric peaks: 2)","exact_mass":330.264,"inchikey":"OKILHALSOHIPCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.264,"smiles":"CCCCC(CCCC)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390487","spectrum_index":397},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_5-nonanol (known isomers: 1; isobaric peaks: 2)","exact_mass":330.264,"inchikey":"OKILHALSOHIPCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.264,"smiles":"CCCCC(CCCC)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390488","spectrum_index":398},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_5-nonanol (known isomers: 1; isobaric peaks: 2)","exact_mass":330.263,"inchikey":"OKILHALSOHIPCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.263,"smiles":"CCCCC(CCCC)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390489","spectrum_index":399},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-nonanol (known isomers: 1; isobaric peaks: 2)","exact_mass":330.264,"inchikey":"JXTWUWWXMAHUOM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.264,"smiles":"CCCCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390490","spectrum_index":400},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-nonanol (known isomers: 1; isobaric peaks: 2)","exact_mass":330.264,"inchikey":"JXTWUWWXMAHUOM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.264,"smiles":"CCCCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390491","spectrum_index":401},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-nonanol (known isomers: 1; isobaric peaks: 2)","exact_mass":330.263,"inchikey":"JXTWUWWXMAHUOM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.263,"smiles":"CCCCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390492","spectrum_index":402},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_3-hydroxybenzaldehyde (known isomers: 0; isobaric peaks: 0)","exact_mass":308.149,"inchikey":"DSKJYJGCHQJNLR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.149,"smiles":"CC(=O)OC(CC(=O)Oc1cccc(C=O)c1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390493","spectrum_index":403},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-hydroxy-4-methoxybenzaldehyde (known isomers: 2; isobaric peaks: 0)","exact_mass":338.159,"inchikey":"JAGXNMKLSVIJKM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":338.159,"smiles":"COc1ccc(C=O)c(OC(=O)CC(C[N+](C)(C)C)OC(C)=O)c1","spectrum_id":"CCMSLIB00017390494","spectrum_index":404},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_p-cresol (known isomers: 1; isobaric peaks: 1)","exact_mass":294.17,"inchikey":"UJKPJAIYJUVCJJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":294.17,"smiles":"CC(=O)OC(CC(=O)Oc1ccc(C)cc1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390495","spectrum_index":405},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_p-cresol (known isomers: 1; isobaric peaks: 1)","exact_mass":294.17,"inchikey":"UJKPJAIYJUVCJJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":294.17,"smiles":"CC(=O)OC(CC(=O)Oc1ccc(C)cc1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390496","spectrum_index":406},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_chimyl alcohol (known isomers: 1; isobaric peaks: 0)","exact_mass":502.41,"inchikey":"UAIOZRQKMRXNOZ-AVJYQCBHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":502.41,"smiles":"CCCCCCCCCCCCCCCCOC[C@@H](O)COC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390497","spectrum_index":407},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-octadecanol (known isomers: 0; isobaric peaks: 1)","exact_mass":456.404,"inchikey":"RODCUJDWLDDEDO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":456.404,"smiles":"CCCCCCCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390498","spectrum_index":408},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_2,4-decadien-1-ol (known isomers: 0; isobaric peaks: 2)\"","exact_mass":340.248,"inchikey":"UAFPUJLUSZBKQB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":340.248,"smiles":"CCCCCC=CC=CCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390499","spectrum_index":409},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_2,4-decadien-1-ol (known isomers: 0; isobaric peaks: 2)\"","exact_mass":340.248,"inchikey":"UAFPUJLUSZBKQB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":340.248,"smiles":"CCCCCC=CC=CCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390500","spectrum_index":410},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_2,4-decadien-1-ol (known isomers: 0; isobaric peaks: 2)\"","exact_mass":340.248,"inchikey":"UAFPUJLUSZBKQB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":340.248,"smiles":"CCCCCC=CC=CCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390501","spectrum_index":411},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_4-tert-Butylaniline (known isomers: 1; isobaric peaks: 1)","exact_mass":335.233,"inchikey":"CEWOBBCIPVHTKG-QGZVFWFLSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.233,"smiles":"CC(=O)O[C@H](CC(=O)Nc1ccc(C(C)(C)C)cc1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390504","spectrum_index":412},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_4-tert-Butylaniline (known isomers: 1; isobaric peaks: 1)","exact_mass":335.233,"inchikey":"CEWOBBCIPVHTKG-QGZVFWFLSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.233,"smiles":"CC(=O)O[C@H](CC(=O)Nc1ccc(C(C)(C)C)cc1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390505","spectrum_index":413},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-carnitine_3,4-difluorobenzylamine (known isomers: 0; isobaric peaks: 0)\"","exact_mass":329.167,"inchikey":"JUABVEPCHJENEE-CYBMUJFWSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.167,"smiles":"CC(=O)O[C@H](CC(=O)NCc1ccc(F)c(F)c1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390506","spectrum_index":414},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_2-tert-butylphenylamine (known isomers: 1; isobaric peaks: 1)","exact_mass":335.233,"inchikey":"ULPXDBOXVIPMQO-OAHLLOKOSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.233,"smiles":"CC(=O)O[C@H](CC(=O)Nc1ccccc1C(C)(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390507","spectrum_index":415},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_2-tert-butylphenylamine (known isomers: 1; isobaric peaks: 1)","exact_mass":335.233,"inchikey":"ULPXDBOXVIPMQO-OAHLLOKOSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.233,"smiles":"CC(=O)O[C@H](CC(=O)Nc1ccccc1C(C)(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390508","spectrum_index":416},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_N-methyl-N-[4-(trifluoromethyl)benzyl]amine (known isomers: 0; isobaric peaks: 0)","exact_mass":375.189,"inchikey":"JGNHDSRMSCQSIY-MRXNPFEDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":375.189,"smiles":"CC(=O)O[C@H](CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390509","spectrum_index":417},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_3-amino-1-propanol (known isomers: 0; isobaric peaks: 0)","exact_mass":261.181,"inchikey":"OKGIEIXWPKAKAL-LLVKDONJSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.181,"smiles":"CC(=O)O[C@H](CC(=O)NCCCO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390510","spectrum_index":418},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_4-propylaniline (known isomers: 0; isobaric peaks: 0)","exact_mass":321.217,"inchikey":"KORVWZZEPXOJML-QGZVFWFLSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":321.217,"smiles":"CCCc1ccc(NC(=O)C[C@H](C[N+](C)(C)C)OC(C)=O)cc1","spectrum_id":"CCMSLIB00017390511","spectrum_index":419},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_cis-1-amino-2-indanol (known isomers: 0; isobaric peaks: 1)","exact_mass":335.196,"inchikey":"YDPBKTXEUXDGOO-UWWQBHOKSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.196,"smiles":"CC(=O)O[C@H](CC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390512","spectrum_index":420},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_o-Anisidine (known isomers: 2; isobaric peaks: 1)","exact_mass":309.181,"inchikey":"QMVUXSQLRRMWKI-CYBMUJFWSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.181,"smiles":"COc1ccccc1NC(=O)C[C@H](C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390513","spectrum_index":421},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_o-Anisidine (known isomers: 2; isobaric peaks: 1)","exact_mass":309.18,"inchikey":"QMVUXSQLRRMWKI-CYBMUJFWSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.18,"smiles":"COc1ccccc1NC(=O)C[C@H](C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390514","spectrum_index":422},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_octylamine (known isomers: 0; isobaric peaks: 0)","exact_mass":315.264,"inchikey":"MUPKLUHGFLLOKM-MRXNPFEDSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.264,"smiles":"CCCCCCCCNC(=O)C[C@H](C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390515","spectrum_index":423},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_2-aminothiazole (known isomers: 0; isobaric peaks: 0)","exact_mass":286.122,"inchikey":"AIYLVYWJDRFBFX-SNVBAGLBSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.122,"smiles":"CC(=O)O[C@H](CC(=O)Nc1nccs1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390516","spectrum_index":424},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_3-(aminomethyl)phenol (known isomers: 2; isobaric peaks: 1)","exact_mass":309.181,"inchikey":"NZCSPIBSYBIIRO-OAHLLOKOSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.181,"smiles":"CC(=O)O[C@H](CC(=O)NCc1cccc(O)c1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390517","spectrum_index":425},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_3-(aminomethyl)phenol (known isomers: 2; isobaric peaks: 1)","exact_mass":309.18,"inchikey":"NZCSPIBSYBIIRO-OAHLLOKOSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.18,"smiles":"CC(=O)O[C@H](CC(=O)NCc1cccc(O)c1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390518","spectrum_index":426},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_2-aminomethylphenol (known isomers: 2; isobaric peaks: 1)","exact_mass":309.181,"inchikey":"DACPGBIJORSBJT-CQSZACIVSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.181,"smiles":"CC(=O)O[C@H](CC(=O)NCc1ccccc1O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390519","spectrum_index":427},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_2-aminomethylphenol (known isomers: 2; isobaric peaks: 1)","exact_mass":309.18,"inchikey":"DACPGBIJORSBJT-CQSZACIVSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.18,"smiles":"CC(=O)O[C@H](CC(=O)NCc1ccccc1O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390520","spectrum_index":428},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-carnitine_1,2,3,4-tetrahydro-1-naphthylamine (known isomers: 0; isobaric peaks: 0)\"","exact_mass":333.217,"inchikey":"JNKJVMGMZQBLGC-PYUWXLGESA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":333.217,"smiles":"CC(=O)O[C@H](CC(=O)NC1CCCc2ccccc21)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390521","spectrum_index":429},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_Cyclopropylamine (known isomers: 0; isobaric peaks: 0)","exact_mass":243.17,"inchikey":"BOBLTXSKSMAOJR-LLVKDONJSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":243.17,"smiles":"CC(=O)O[C@H](CC(=O)NC1CC1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390522","spectrum_index":430},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_4-Pentylaniline (known isomers: 0; isobaric peaks: 0)","exact_mass":349.249,"inchikey":"BLYMSCVAINZNHE-LJQANCHMSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":349.249,"smiles":"CCCCCc1ccc(NC(=O)C[C@H](C[N+](C)(C)C)OC(C)=O)cc1","spectrum_id":"CCMSLIB00017390523","spectrum_index":431},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_5-Amino-1-methyl-1H-pyrazole (known isomers: 0; isobaric peaks: 0)","exact_mass":283.177,"inchikey":"KPMJNZVFGXKMFI-LLVKDONJSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":283.177,"smiles":"CC(=O)O[C@H](CC(=O)Nc1ccnn1C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390524","spectrum_index":432},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_oleylamine (known isomers: 0; isobaric peaks: 0)","exact_mass":453.404,"inchikey":"SJBKQMUJKFFBTG-JKCKFMQZSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":453.404,"smiles":"CCCCCCCC/C=C\\CCCCCCCCNC(=O)C[C@H](C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390526","spectrum_index":433},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_primaquine (known isomers: 0; isobaric peaks: 0)","exact_mass":445.281,"inchikey":"ZXWMSGCMMRTUOS-FBLFFUNLSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":445.281,"smiles":"COc1cc(NC(C)CCCNC(=O)C[C@H](C[N+](C)(C)C)OC(C)=O)c2ncccc2c1","spectrum_id":"CCMSLIB00017390527","spectrum_index":434},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_4-tritylaniline (known isomers: 0; isobaric peaks: 0)","exact_mass":521.28,"inchikey":"OFTRLSMIKLBRTR-JGCGQSQUSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":521.28,"smiles":"CC(=O)O[C@H](CC(=O)Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390528","spectrum_index":435},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_Cyclopropanecarboximidamide (known isomers: 0; isobaric peaks: 3)","exact_mass":270.181,"inchikey":"HQYSGYDLFNPJGG-LLVKDONJSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":270.181,"smiles":"CC(=O)O[C@H](CC(=O)NC(=N)C1CC1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390529","spectrum_index":436},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_1-(4-chlorophenyl)cyclopropanamine (known isomers: 0; isobaric peaks: 0)","exact_mass":353.163,"inchikey":"UOQKUGWFKWIEOO-MRXNPFEDSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":353.163,"smiles":"CC(=O)O[C@H](CC(=O)NC1(c2ccc(Cl)cc2)CC1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390530","spectrum_index":437},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-carnitine_2-amino-1,2-diphenylethanol (known isomers: 0; isobaric peaks: 1)\"","exact_mass":399.227,"inchikey":"AXHHFXNCWOANOA-RDABAPPSSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.227,"smiles":"CC(=O)O[C@H](CC(=O)NC(c1ccccc1)C(O)c1ccccc1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390531","spectrum_index":438},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-carnitine_2-amino-1,2-diphenylethanol (known isomers: 0; isobaric peaks: 1)\"","exact_mass":399.227,"inchikey":"AXHHFXNCWOANOA-RDABAPPSSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.227,"smiles":"CC(=O)O[C@H](CC(=O)NC(c1ccccc1)C(O)c1ccccc1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390532","spectrum_index":439},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_1-aminopentadecane (known isomers: 0; isobaric peaks: 0)","exact_mass":413.373,"inchikey":"LNOMVNJZCCZXGR-HSZRJFAPSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":413.373,"smiles":"CCCCCCCCCCCCCCCNC(=O)C[C@H](C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390533","spectrum_index":440},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-carnitine_(1R,2R)-2-Aminocyclopentanol (known isomers: 1; isobaric peaks: 3)\"","exact_mass":287.196,"inchikey":"WTTFJKHOZICPHZ-JHJVBQTASA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.196,"smiles":"CC(=O)O[C@H](CC(=O)N[C@@H]1CCC[C@H]1O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390534","spectrum_index":441},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_heptylamine (known isomers: 0; isobaric peaks: 0)","exact_mass":301.248,"inchikey":"DVSBJEBOGJTEPU-OAHLLOKOSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.248,"smiles":"CCCCCCCNC(=O)C[C@H](C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390535","spectrum_index":442},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_pivalamide (known isomers: 1; isobaric peaks: 3)","exact_mass":287.196,"inchikey":"MHTIZSIZIZOCNE-LLVKDONJSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.196,"smiles":"CC(=O)O[C@H](CC(=O)NC(=O)C(C)(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390536","spectrum_index":443},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-carnitine_amino-PEGamine_2-Propynylamine (known isomers: 0; isobaric peaks: 0)","exact_mass":503.306,"inchikey":"VXNXMPRTRWIKNC-OAQYLSRUSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":503.306,"smiles":"C#CCNC(=O)NCCOCCOCCOCCOCCNC(=O)C[C@H](C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390537","spectrum_index":444},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390538","spectrum_index":445},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Ursodeoxycholic acid_Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":535.387288,"inchikey":"MYIZOALDGXKAOQ-PJEYPETBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.391,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390539","spectrum_index":446},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Ursodeoxycholic acid_Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":535.387288,"inchikey":"MYIZOALDGXKAOQ-PJEYPETBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.394,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390540","spectrum_index":447},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5-Aminovaleric acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":260.173607,"inchikey":"CTGXSOGZYFMRAB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":261.181,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCN","spectrum_id":"CCMSLIB00017390541","spectrum_index":448},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390542","spectrum_index":449},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":184.094,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390543","spectrum_index":450},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hippuric acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":322.152872,"inchikey":"GWHHQTKAYZEFAI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.161,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CNC(=O)c1ccccc1","spectrum_id":"CCMSLIB00017390544","spectrum_index":451},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Lithocholicacid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":519.392374,"inchikey":"GZIUBVCFDADEKV-NDZVSFKGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":520.399,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390545","spectrum_index":452},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390546","spectrum_index":453},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 6)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390547","spectrum_index":454},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 3)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390548","spectrum_index":455},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390550","spectrum_index":456},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"3a, 12k_Carnitine (known isomers: 0; isobaric peaks: 1)\"","exact_mass":533.371638,"inchikey":"RURIMIWBCCMJMJ-MRRKMGLQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":534.379,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C","spectrum_id":"CCMSLIB00017390551","spectrum_index":457},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"3a, 12k_Carnitine (known isomers: 0; isobaric peaks: 1)\"","exact_mass":533.371638,"inchikey":"RURIMIWBCCMJMJ-MRRKMGLQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":534.379,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C","spectrum_id":"CCMSLIB00017390552","spectrum_index":458},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390553","spectrum_index":459},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pantothenic acid_Carnitine (known isomers: 0; isobaric peaks: 4)","exact_mass":362.205301,"inchikey":"WDISQGBXKKJZAT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.212,"smiles":"CC(C)(CO)C(O)C(=O)NCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390554","spectrum_index":460},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Pantothenic acid_Carnitine (known isomers: 0; isobaric peaks: 4)","exact_mass":362.205301,"inchikey":"WDISQGBXKKJZAT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.212,"smiles":"CC(C)(CO)C(O)C(=O)NCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390555","spectrum_index":461},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390556","spectrum_index":462},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390557","spectrum_index":463},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5-Phenylvaleric acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":321.194008,"inchikey":"ILCHFMZLLXZDEA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":322.201,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCc1ccccc1","spectrum_id":"CCMSLIB00017390558","spectrum_index":464},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"nor-Chenodeoxycholic-acid_Carnitine (known isomers: 0; isobaric peaks: 4)","exact_mass":521.371638,"inchikey":"IKDCDGSSDCBLBQ-QLWKDAKUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.379,"smiles":"C[C@H](CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390559","spectrum_index":465},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"nor-Chenodeoxycholic-acid_Carnitine (known isomers: 0; isobaric peaks: 4)","exact_mass":521.371638,"inchikey":"IKDCDGSSDCBLBQ-QLWKDAKUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.379,"smiles":"C[C@H](CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390560","spectrum_index":466},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"nor-Chenodeoxycholic-acid_Carnitine (known isomers: 0; isobaric peaks: 4)","exact_mass":521.371638,"inchikey":"IKDCDGSSDCBLBQ-QLWKDAKUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.379,"smiles":"C[C@H](CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390561","spectrum_index":467},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390564","spectrum_index":468},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390565","spectrum_index":469},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390566","spectrum_index":470},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390567","spectrum_index":471},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Succinic acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":261.121237,"inchikey":"HAEVNYBCYZZDFL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":262.129,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCC(=O)O","spectrum_id":"CCMSLIB00017390568","spectrum_index":472},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Choly L-aspartic-acid_Carnitine (known isomers: 1; isobaric peaks: 2)","exact_mass":666.409146,"inchikey":"VVWVGIHXERTEKH-LHBDDHLBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":667.416,"smiles":"C[C@H](CCC(=O)N[C@@H](CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","spectrum_id":"CCMSLIB00017390569","spectrum_index":473},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Choly L-aspartic-acid_Carnitine (known isomers: 1; isobaric peaks: 2)","exact_mass":666.409146,"inchikey":"STIBNIUWTTUIAF-LHBDDHLBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":667.416,"smiles":"C[C@H](CCC(=O)N[C@@H](CC(=O)O)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","spectrum_id":"CCMSLIB00017390570","spectrum_index":474},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"GABA_mesaconic acid_Acetyl-L-Carnitine (known isomers: 1; isobaric peaks: 4)","exact_mass":356.267508,"inchikey":"AODGVEPBBCMAOQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.274,"smiles":"CN(C)C(=O)CCCCCCCCCCCC(=O)NCCCC(=O)O","spectrum_id":"CCMSLIB00017390571","spectrum_index":475},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"GABA_pimelic acid_Acetyl-L-Carnitine (known isomers: 1; isobaric peaks: 0)","exact_mass":272.173607,"inchikey":"NIKGYJSARRRCOH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.181,"smiles":"CN(C)C(=O)CCCNC(=O)CCCCCC(=O)O","spectrum_id":"CCMSLIB00017390572","spectrum_index":476},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"GABA_mesaconic acid_Acetyl-L-Carnitine (known isomers: 1; isobaric peaks: 4)","exact_mass":356.267508,"inchikey":"ANJHJRWXJVGYGZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.274,"smiles":"CN(C)C(=O)CCCNC(=O)CCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017390573","spectrum_index":477},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"GABA_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 1; isobaric peaks: 6)","exact_mass":342.251858,"inchikey":"NBXDSYMJQHOFEJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.259,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)NCCCC(=O)O","spectrum_id":"CCMSLIB00017390574","spectrum_index":478},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"GABA_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 1; isobaric peaks: 6)","exact_mass":342.251858,"inchikey":"NBXDSYMJQHOFEJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.258,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)NCCCC(=O)O","spectrum_id":"CCMSLIB00017390575","spectrum_index":479},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"GABA_sebacic-acid_Acetyl-L-Carnitine (known isomers: 1; isobaric peaks: 4)","exact_mass":314.220557,"inchikey":"POKLTUUURGZYOU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.228,"smiles":"CN(C)C(=O)CCCNC(=O)CCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017390576","spectrum_index":480},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"GABA_sebacic-acid_Acetyl-L-Carnitine (known isomers: 1; isobaric peaks: 4)","exact_mass":314.220557,"inchikey":"POKLTUUURGZYOU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.228,"smiles":"CN(C)C(=O)CCCNC(=O)CCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017390577","spectrum_index":481},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"GABA_sebacic-acid_Acetyl-L-Carnitine (known isomers: 1; isobaric peaks: 4)","exact_mass":314.220557,"inchikey":"LMNKVRJKHWVGDJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.228,"smiles":"CN(C)C(=O)CCCCCCCCC(=O)NCCCC(=O)O","spectrum_id":"CCMSLIB00017390578","spectrum_index":482},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"GABA_sebacic-acid_Acetyl-L-Carnitine (known isomers: 1; isobaric peaks: 4)","exact_mass":314.220557,"inchikey":"LMNKVRJKHWVGDJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":315.228,"smiles":"CN(C)C(=O)CCCCCCCCC(=O)NCCCC(=O)O","spectrum_id":"CCMSLIB00017390579","spectrum_index":483},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"GABA_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 1; isobaric peaks: 6)","exact_mass":342.251858,"inchikey":"DUIFKCLYJJFDBO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.259,"smiles":"CN(C)C(=O)CCCNC(=O)CCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017390580","spectrum_index":484},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"GABA_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 1; isobaric peaks: 6)","exact_mass":342.251858,"inchikey":"DUIFKCLYJJFDBO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":343.258,"smiles":"CN(C)C(=O)CCCNC(=O)CCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017390581","spectrum_index":485},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"GABA_pimelic acid_Acetyl-L-Carnitine (known isomers: 1; isobaric peaks: 0)","exact_mass":272.173607,"inchikey":"WFVIVJJIMJZFCT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.181,"smiles":"CN(C)C(=O)CCCCCC(=O)NCCCC(=O)O","spectrum_id":"CCMSLIB00017390582","spectrum_index":486},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"16-Hydroxyhexadecanoic acid_Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":415.329774,"inchikey":"OMMZVRQHBRAUHL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":416.337,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCCCCCCCCCCO","spectrum_id":"CCMSLIB00017390583","spectrum_index":487},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"nor-Deoxycholic-acid_Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":521.371638,"inchikey":"SOTDNEWDSLBOTF-IOWCLQTMSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.379,"smiles":"C[C@H](CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","spectrum_id":"CCMSLIB00017390584","spectrum_index":488},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"nor-Deoxycholic-acid_Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":521.371638,"inchikey":"SOTDNEWDSLBOTF-IOWCLQTMSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.378,"smiles":"C[C@H](CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","spectrum_id":"CCMSLIB00017390585","spectrum_index":489},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390586","spectrum_index":490},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_Mefenamic acid (known isomers: 0; isobaric peaks: 2)","exact_mass":268.157563,"inchikey":"BWMCMJRILCDYHY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.165,"smiles":"Cc1cccc(Nc2ccccc2C(=O)N(C)C)c1C","spectrum_id":"CCMSLIB00017390587","spectrum_index":491},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_Mefenamic acid (known isomers: 0; isobaric peaks: 2)","exact_mass":268.157563,"inchikey":"BWMCMJRILCDYHY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.165,"smiles":"Cc1cccc(Nc2ccccc2C(=O)N(C)C)c1C","spectrum_id":"CCMSLIB00017390588","spectrum_index":492},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_Mefenamic acid (known isomers: 0; isobaric peaks: 2)","exact_mass":268.157563,"inchikey":"BWMCMJRILCDYHY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":269.165,"smiles":"Cc1cccc(Nc2ccccc2C(=O)N(C)C)c1C","spectrum_id":"CCMSLIB00017390589","spectrum_index":493},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_1-Aminocyclohexanecarboxylic acid (known isomers: 0; isobaric peaks: 2)","exact_mass":170.141913,"inchikey":"GBQZIWLYKBNXBX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":171.149,"smiles":"CN(C)C(=O)C1(N)CCCCC1","spectrum_id":"CCMSLIB00017390590","spectrum_index":494},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_1-Aminocyclohexanecarboxylic acid (known isomers: 0; isobaric peaks: 2)","exact_mass":170.141913,"inchikey":"GBQZIWLYKBNXBX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":171.149,"smiles":"CN(C)C(=O)C1(N)CCCCC1","spectrum_id":"CCMSLIB00017390591","spectrum_index":495},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_1-Aminocyclohexanecarboxylic acid (known isomers: 0; isobaric peaks: 1)","exact_mass":170.141913,"inchikey":"GBQZIWLYKBNXBX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":188.176,"smiles":"CN(C)C(=O)C1(N)CCCCC1","spectrum_id":"CCMSLIB00017390592","spectrum_index":496},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_1-Aminocyclohexanecarboxylic acid (known isomers: 0; isobaric peaks: 1)","exact_mass":170.141913,"inchikey":"GBQZIWLYKBNXBX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":188.176,"smiles":"CN(C)C(=O)C1(N)CCCCC1","spectrum_id":"CCMSLIB00017390593","spectrum_index":497},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_2,3-Pyrazinedicarboxylic Acid (known isomers: 0; isobaric peaks: 0)\"","exact_mass":195.064391,"inchikey":"WIMYFRJMBUNHJX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":196.072,"smiles":"CN(C)C(=O)c1nccnc1C(=O)O","spectrum_id":"CCMSLIB00017390594","spectrum_index":498},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_N-Phenylanthranilic acid (known isomers: 0; isobaric peaks: 2)","exact_mass":240.126263,"inchikey":"VWOZJXJSFSCMMT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":241.133,"smiles":"CN(C)C(=O)c1ccccc1Nc1ccccc1","spectrum_id":"CCMSLIB00017390598","spectrum_index":499},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_N-Phenylanthranilic acid (known isomers: 0; isobaric peaks: 2)","exact_mass":240.126263,"inchikey":"VWOZJXJSFSCMMT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":241.133,"smiles":"CN(C)C(=O)c1ccccc1Nc1ccccc1","spectrum_id":"CCMSLIB00017390599","spectrum_index":500},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_N-Phenylanthranilic acid (known isomers: 0; isobaric peaks: 2)","exact_mass":240.126263,"inchikey":"VWOZJXJSFSCMMT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":241.134,"smiles":"CN(C)C(=O)c1ccccc1Nc1ccccc1","spectrum_id":"CCMSLIB00017390600","spectrum_index":501},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_3-Amino-4-chlorobenzoic acid (known isomers: 0; isobaric peaks: 0)","exact_mass":198.055991,"inchikey":"NMXZBISDUNEGQP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":199.064,"smiles":"CN(C)C(=O)c1ccc(Cl)c(N)c1","spectrum_id":"CCMSLIB00017390601","spectrum_index":502},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_primaquine (known isomers: 1; isobaric peaks: 0)","exact_mass":387.277,"inchikey":"YGFFHIVMHIAGSH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.277,"smiles":"COc1cc(N(C(=O)CCC[N+](C)(C)C)C(C)CCCN)c2ncccc2c1","spectrum_id":"CCMSLIB00017390602","spectrum_index":503},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-Amino-4-fluorophenol (known isomers: 1; isobaric peaks: 3)","exact_mass":255.149,"inchikey":"UHKKIMSFVINLNI-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.149,"smiles":"C[N+](C)(C)CCCC(=O)Nc1cc(F)ccc1O","spectrum_id":"CCMSLIB00017390603","spectrum_index":504},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-Amino-4-fluorophenol (known isomers: 1; isobaric peaks: 3)","exact_mass":255.15,"inchikey":"UHKKIMSFVINLNI-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.15,"smiles":"C[N+](C)(C)CCCC(=O)Nc1cc(F)ccc1O","spectrum_id":"CCMSLIB00017390604","spectrum_index":505},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-Amino-4-fluorophenol (known isomers: 1; isobaric peaks: 3)","exact_mass":255.151,"inchikey":"UHKKIMSFVINLNI-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.151,"smiles":"C[N+](C)(C)CCCC(=O)Nc1cc(F)ccc1O","spectrum_id":"CCMSLIB00017390605","spectrum_index":506},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-methoxy-4-nitroaniline (known isomers: 0; isobaric peaks: 1)","exact_mass":296.16,"inchikey":"BYCCBGKWTWPYDP-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":296.16,"smiles":"COc1cc([N+](=O)[O-])ccc1NC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390606","spectrum_index":507},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-cyclopropylethanamine (known isomers: 2; isobaric peaks: 1)","exact_mass":213.197,"inchikey":"BCIBZEYQUWANGB-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":213.197,"smiles":"C[N+](C)(C)CCCC(=O)NCCC1CC1","spectrum_id":"CCMSLIB00017390607","spectrum_index":508},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_4-propylaniline (known isomers: 0; isobaric peaks: 3)","exact_mass":263.212,"inchikey":"YFYDCRQSVNBBIM-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.212,"smiles":"CCCc1ccc(NC(=O)CCC[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017390608","spectrum_index":509},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_4-propylaniline (known isomers: 0; isobaric peaks: 3)","exact_mass":263.213,"inchikey":"YFYDCRQSVNBBIM-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.213,"smiles":"CCCc1ccc(NC(=O)CCC[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017390609","spectrum_index":510},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_4-propylaniline (known isomers: 0; isobaric peaks: 3)","exact_mass":263.213,"inchikey":"YFYDCRQSVNBBIM-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.213,"smiles":"CCCc1ccc(NC(=O)CCC[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017390610","spectrum_index":511},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_1,2,3,4-tetrahydro-1-naphthylamine (known isomers: 0; isobaric peaks: 0)\"","exact_mass":275.213,"inchikey":"OWCWRIIPJQGCMY-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":275.213,"smiles":"C[N+](C)(C)CCCC(=O)NC1CCCc2ccccc21","spectrum_id":"CCMSLIB00017390611","spectrum_index":512},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_3-(aminomethyl)phenol (known isomers: 2; isobaric peaks: 1)","exact_mass":251.176,"inchikey":"OSSOOWKGFKCQLR-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.176,"smiles":"C[N+](C)(C)CCCC(=O)NCc1cccc(O)c1","spectrum_id":"CCMSLIB00017390612","spectrum_index":513},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_3-(aminomethyl)phenol (known isomers: 2; isobaric peaks: 1)","exact_mass":251.176,"inchikey":"OSSOOWKGFKCQLR-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.176,"smiles":"C[N+](C)(C)CCCC(=O)NCc1cccc(O)c1","spectrum_id":"CCMSLIB00017390613","spectrum_index":514},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_3-(aminomethyl)pyridine (known isomers: 0; isobaric peaks: 0)","exact_mass":236.176,"inchikey":"ZZQNDMVVLHXJOZ-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":236.176,"smiles":"C[N+](C)(C)CCCC(=O)NCc1cccnc1","spectrum_id":"CCMSLIB00017390614","spectrum_index":515},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_1-aminopentadecane (known isomers: 0; isobaric peaks: 0)","exact_mass":355.369,"inchikey":"RLRZMEBENBAIMF-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":355.369,"smiles":"CCCCCCCCCCCCCCCNC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390616","spectrum_index":516},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_cyclopentylamine (known isomers: 2; isobaric peaks: 1)","exact_mass":213.197,"inchikey":"RPMDFNDYLYVXJB-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":213.197,"smiles":"C[N+](C)(C)CCCC(=O)NC1CCCC1","spectrum_id":"CCMSLIB00017390617","spectrum_index":517},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_octylamine (known isomers: 0; isobaric peaks: 0)","exact_mass":257.259,"inchikey":"QAHYRVACLXMEFC-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":257.259,"smiles":"CCCCCCCCNC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390619","spectrum_index":518},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_4-Pentylaniline (known isomers: 0; isobaric peaks: 0)","exact_mass":291.244,"inchikey":"YXYIOHFQGKMNCN-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.244,"smiles":"CCCCCc1ccc(NC(=O)CCC[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017390620","spectrum_index":519},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_4-amino-1-methylpiperidine (known isomers: 0; isobaric peaks: 0)","exact_mass":242.223,"inchikey":"MBHCOBPXFWHFMC-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":242.223,"smiles":"CN1CCC(NC(=O)CCC[N+](C)(C)C)CC1","spectrum_id":"CCMSLIB00017390621","spectrum_index":520},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_4-tert-Butylaniline (known isomers: 1; isobaric peaks: 2)","exact_mass":277.228,"inchikey":"JAZHFCOYBXYNLW-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.228,"smiles":"CC(C)(C)c1ccc(NC(=O)CCC[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017390622","spectrum_index":521},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_4-tert-Butylaniline (known isomers: 1; isobaric peaks: 2)","exact_mass":277.228,"inchikey":"JAZHFCOYBXYNLW-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.228,"smiles":"CC(C)(C)c1ccc(NC(=O)CCC[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017390623","spectrum_index":522},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_4-tert-Butylaniline (known isomers: 1; isobaric peaks: 2)","exact_mass":277.228,"inchikey":"JAZHFCOYBXYNLW-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.228,"smiles":"CC(C)(C)c1ccc(NC(=O)CCC[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017390624","spectrum_index":523},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_4-tritylaniline (known isomers: 0; isobaric peaks: 0)","exact_mass":463.277,"inchikey":"ONIZEWKVVRTUAJ-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":463.277,"smiles":"C[N+](C)(C)CCCC(=O)Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1","spectrum_id":"CCMSLIB00017390625","spectrum_index":524},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_4-aminoacetophenone (known isomers: 0; isobaric peaks: 1)","exact_mass":263.176,"inchikey":"ASEXJCREBSZOQZ-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":263.176,"smiles":"CC(=O)c1ccc(NC(=O)CCC[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017390626","spectrum_index":525},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_1-(4-chlorophenyl)cyclopropanamine (known isomers: 0; isobaric peaks: 0)","exact_mass":295.158,"inchikey":"JCFKNJUYACJBOK-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.158,"smiles":"C[N+](C)(C)CCCC(=O)NC1(c2ccc(Cl)cc2)CC1","spectrum_id":"CCMSLIB00017390627","spectrum_index":526},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_piperidine (known isomers: 2; isobaric peaks: 1)","exact_mass":213.197,"inchikey":"XDMPEOOMDSGHDX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":213.197,"smiles":"C[N+](C)(C)CCCC(=O)N1CCCCC1","spectrum_id":"CCMSLIB00017390628","spectrum_index":527},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_1-(3-aminopropyl)imidazole (known isomers: 1; isobaric peaks: 1)","exact_mass":253.203,"inchikey":"FXODAZQFCKKAOA-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.203,"smiles":"C[N+](C)(C)CCCC(=O)NCCCn1ccnc1","spectrum_id":"CCMSLIB00017390629","spectrum_index":528},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-ethylaniline (known isomers: 0; isobaric peaks: 1)","exact_mass":249.197,"inchikey":"JSBQORUVYUWMFZ-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.197,"smiles":"CCc1ccccc1NC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390630","spectrum_index":529},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_3-amino-1-propanol (known isomers: 0; isobaric peaks: 1)","exact_mass":203.176,"inchikey":"HLOLOONFIIMMBC-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":203.176,"smiles":"C[N+](C)(C)CCCC(=O)NCCCO","spectrum_id":"CCMSLIB00017390631","spectrum_index":530},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_3-amino-1-propanol (known isomers: 0; isobaric peaks: 1)","exact_mass":203.176,"inchikey":"HLOLOONFIIMMBC-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":203.176,"smiles":"C[N+](C)(C)CCCC(=O)NCCCO","spectrum_id":"CCMSLIB00017390632","spectrum_index":531},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-tert-butylphenylamine (known isomers: 1; isobaric peaks: 2)","exact_mass":277.228,"inchikey":"MCHAOGKBTBOKTN-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.228,"smiles":"CC(C)(C)c1ccccc1NC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390633","spectrum_index":532},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-tert-butylphenylamine (known isomers: 1; isobaric peaks: 2)","exact_mass":277.228,"inchikey":"MCHAOGKBTBOKTN-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.228,"smiles":"CC(C)(C)c1ccccc1NC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390634","spectrum_index":533},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-tert-butylphenylamine (known isomers: 1; isobaric peaks: 2)","exact_mass":277.228,"inchikey":"MCHAOGKBTBOKTN-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.228,"smiles":"CC(C)(C)c1ccccc1NC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390635","spectrum_index":534},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_p-toluidine (known isomers: 0; isobaric peaks: 2)","exact_mass":235.181,"inchikey":"GMKSHOAAMDEHBG-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":235.181,"smiles":"Cc1ccc(NC(=O)CCC[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017390636","spectrum_index":535},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_heptylamine (known isomers: 0; isobaric peaks: 1)","exact_mass":243.244,"inchikey":"NQKDPQXSZYEVRB-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":243.244,"smiles":"CCCCCCCNC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390637","spectrum_index":536},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_heptylamine (known isomers: 0; isobaric peaks: 1)","exact_mass":243.244,"inchikey":"NQKDPQXSZYEVRB-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":243.244,"smiles":"CCCCCCCNC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390638","spectrum_index":537},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_2-amino-1,2-diphenylethanol (known isomers: 0; isobaric peaks: 2)\"","exact_mass":341.223,"inchikey":"WSPMYSBIKPSYKQ-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.223,"smiles":"C[N+](C)(C)CCCC(=O)NC(c1ccccc1)C(O)c1ccccc1","spectrum_id":"CCMSLIB00017390639","spectrum_index":538},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_oleylamine (known isomers: 0; isobaric peaks: 1)","exact_mass":395.4,"inchikey":"UJHMGUQZBBKMIJ-SEYXRHQNSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":395.4,"smiles":"CCCCCCCC/C=C\\CCCCCCCCNC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390640","spectrum_index":539},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_pivalamide (known isomers: 1; isobaric peaks: 2)","exact_mass":229.191,"inchikey":"QVZHDXNRVSVDKC-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.191,"smiles":"CC(C)(C)C(=O)NC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390641","spectrum_index":540},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_pivalamide (known isomers: 1; isobaric peaks: 2)","exact_mass":229.191,"inchikey":"QVZHDXNRVSVDKC-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.191,"smiles":"CC(C)(C)C(=O)NC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390642","spectrum_index":541},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_(1R,2R)-2-Aminocyclopentanol (known isomers: 1; isobaric peaks: 2)\"","exact_mass":229.191,"inchikey":"ROPHMFXZDMUMPC-GHMZBOCLSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.191,"smiles":"C[N+](C)(C)CCCC(=O)N[C@@H]1CCC[C@H]1O","spectrum_id":"CCMSLIB00017390643","spectrum_index":542},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_(1R,2R)-2-Aminocyclopentanol (known isomers: 1; isobaric peaks: 2)\"","exact_mass":229.191,"inchikey":"ROPHMFXZDMUMPC-GHMZBOCLSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.191,"smiles":"C[N+](C)(C)CCCC(=O)N[C@@H]1CCC[C@H]1O","spectrum_id":"CCMSLIB00017390644","spectrum_index":543},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_o-Anisidine (known isomers: 2; isobaric peaks: 1)","exact_mass":251.176,"inchikey":"ARZZZMODJNLROH-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.176,"smiles":"COc1ccccc1NC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390645","spectrum_index":544},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_o-Anisidine (known isomers: 2; isobaric peaks: 1)","exact_mass":251.176,"inchikey":"ARZZZMODJNLROH-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.176,"smiles":"COc1ccccc1NC(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390646","spectrum_index":545},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Deoxycarnitine_3,4-difluorobenzylamine (known isomers: 0; isobaric peaks: 0)\"","exact_mass":271.162,"inchikey":"BRDDCNNSEKRYOB-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":271.162,"smiles":"C[N+](C)(C)CCCC(=O)NCc1ccc(F)c(F)c1","spectrum_id":"CCMSLIB00017390647","spectrum_index":546},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_primaquine (known isomers: 1; isobaric peaks: 0)","exact_mass":387.277,"inchikey":"QEPJFSKCGLQEQT-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":387.277,"smiles":"COc1cc(NC(C)CCCNC(=O)CCC[N+](C)(C)C)c2ncccc2c1","spectrum_id":"CCMSLIB00017390648","spectrum_index":547},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_N-methyl-N-[4-(trifluoromethyl)benzyl]amine (known isomers: 0; isobaric peaks: 0)","exact_mass":317.184,"inchikey":"ULIRHGFDHAUPID-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":317.184,"smiles":"CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCC[N+](C)(C)C","spectrum_id":"CCMSLIB00017390649","spectrum_index":548},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_cis-1-amino-2-indanol (known isomers: 0; isobaric peaks: 0)","exact_mass":277.192,"inchikey":"YSTVRTGZSZMYHN-GOEBONIOSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":277.192,"smiles":"C[N+](C)(C)CCCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O","spectrum_id":"CCMSLIB00017390650","spectrum_index":549},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-aminomethylphenol (known isomers: 2; isobaric peaks: 1)","exact_mass":251.176,"inchikey":"BEXIGHMHWVDPJL-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.176,"smiles":"C[N+](C)(C)CCCC(=O)NCc1ccccc1O","spectrum_id":"CCMSLIB00017390651","spectrum_index":550},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_2-aminomethylphenol (known isomers: 2; isobaric peaks: 1)","exact_mass":251.176,"inchikey":"BEXIGHMHWVDPJL-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":251.176,"smiles":"C[N+](C)(C)CCCC(=O)NCc1ccccc1O","spectrum_id":"CCMSLIB00017390652","spectrum_index":551},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_6-fluoro-2-aminophenol (known isomers: 1; isobaric peaks: 3)","exact_mass":255.149,"inchikey":"JTMSNJFWUREUHJ-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.149,"smiles":"C[N+](C)(C)CCCC(=O)Nc1cccc(F)c1O","spectrum_id":"CCMSLIB00017390653","spectrum_index":552},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_6-fluoro-2-aminophenol (known isomers: 1; isobaric peaks: 3)","exact_mass":255.15,"inchikey":"JTMSNJFWUREUHJ-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.15,"smiles":"C[N+](C)(C)CCCC(=O)Nc1cccc(F)c1O","spectrum_id":"CCMSLIB00017390654","spectrum_index":553},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycarnitine_6-fluoro-2-aminophenol (known isomers: 1; isobaric peaks: 3)","exact_mass":255.151,"inchikey":"JTMSNJFWUREUHJ-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":255.151,"smiles":"C[N+](C)(C)CCCC(=O)Nc1cccc(F)c1O","spectrum_id":"CCMSLIB00017390655","spectrum_index":554},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Hydroxyanthranilic acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":296.137222,"inchikey":"ATOPNUKBLQLTKE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.145,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)c1cccc(O)c1N","spectrum_id":"CCMSLIB00017390656","spectrum_index":555},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390657","spectrum_index":556},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Hydroxy-4-methoxycinnaimc acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":337.152537,"inchikey":"QHKOTOSAUANWBW-SOFGYWHQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":338.159,"smiles":"COc1ccc(/C=C/C(=O)OC(CC(=O)[O-])C[N+](C)(C)C)cc1O","spectrum_id":"CCMSLIB00017390658","spectrum_index":557},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390659","spectrum_index":558},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"D-Pantothenic acid_Carnitine (known isomers: 0; isobaric peaks: 3)","exact_mass":362.205301,"inchikey":"WDISQGBXKKJZAT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.212,"smiles":"CC(C)(CO)C(O)C(=O)NCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390660","spectrum_index":559},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"D-Pantothenic acid_Carnitine (known isomers: 0; isobaric peaks: 3)","exact_mass":362.205301,"inchikey":"WDISQGBXKKJZAT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":363.213,"smiles":"CC(C)(CO)C(O)C(=O)NCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390661","spectrum_index":560},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390662","spectrum_index":561},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-Cysteocholic-acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":702.376132,"inchikey":"KWNYXUSWRFCNMD-OARYLJNJSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":703.382,"smiles":"C[C@H](CCC(=O)N[C@@H](CS(=O)(=O)O)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","spectrum_id":"CCMSLIB00017390663","spectrum_index":562},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390664","spectrum_index":563},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":184.094,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390665","spectrum_index":564},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390666","spectrum_index":565},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390667","spectrum_index":566},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390670","spectrum_index":567},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3a-12b_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":535.387288,"inchikey":"ONBLPXHKFIEOGY-GHRAZCEQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.396,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C","spectrum_id":"CCMSLIB00017390671","spectrum_index":568},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390672","spectrum_index":569},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390673","spectrum_index":570},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Ursodeoxycholic acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":535.387288,"inchikey":"MYIZOALDGXKAOQ-PJEYPETBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.395,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390674","spectrum_index":571},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390675","spectrum_index":572},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390676","spectrum_index":573},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":184.094,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390677","spectrum_index":574},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine_2-methylbutylamine (known isomers: 0; isobaric peaks: 1)","exact_mass":231.207,"inchikey":"LNUMZEZNZFXUHD-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.207,"smiles":"CCC(C)CNC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390678","spectrum_index":575},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Carnitine_1,3-diaminopropane (known isomers: 0; isobaric peaks: 2)\"","exact_mass":218.187,"inchikey":"SCJMICDRVWFPSK-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":218.187,"smiles":"C[N+](C)(C)CC(O)CC(=O)NCCCN","spectrum_id":"CCMSLIB00017390693","spectrum_index":576},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Carnitine_1,3-diaminopropane (known isomers: 0; isobaric peaks: 2)\"","exact_mass":218.186,"inchikey":"SCJMICDRVWFPSK-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":218.186,"smiles":"C[N+](C)(C)CC(O)CC(=O)NCCCN","spectrum_id":"CCMSLIB00017390694","spectrum_index":577},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Carnitine_1,3-diaminopropane (known isomers: 0; isobaric peaks: 2)\"","exact_mass":218.186,"inchikey":"SCJMICDRVWFPSK-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":218.186,"smiles":"C[N+](C)(C)CC(O)CC(=O)NCCCN","spectrum_id":"CCMSLIB00017390695","spectrum_index":578},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"4-Hydroxybenzoic acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":281.126323,"inchikey":"KOHLBLCWVURRTL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.134,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)c1ccc(O)cc1","spectrum_id":"CCMSLIB00017390716","spectrum_index":579},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390717","spectrum_index":580},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-(4-Hydroxyphenyl)propionic acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":309.157623,"inchikey":"XMXITIAVRWFUAX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.165,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCc1ccc(O)cc1","spectrum_id":"CCMSLIB00017390718","spectrum_index":581},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Hydroxypropionic acid_Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":233.126323,"inchikey":"QJGJXKFJFRSERW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":234.134,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCO","spectrum_id":"CCMSLIB00017390785","spectrum_index":582},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390786","spectrum_index":583},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390787","spectrum_index":584},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"3a, 7a, 12b_Carnitine (known isomers: 0; isobaric peaks: 1)\"","exact_mass":551.382203,"inchikey":"CJABKMRPOPIRSX-BNRMMRRQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":552.39,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C","spectrum_id":"CCMSLIB00017390788","spectrum_index":585},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"DL-carnitine hydrochloride_dopamine hydrochloride (known isomers: 0; isobaric peaks: 0)","exact_mass":297.181,"inchikey":"TXTACWZXEOZVLK-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.181,"smiles":"C[N+](C)(C)CC(O)CC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017390789","spectrum_index":586},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"DL-carnitine hydrochloride_Tyramine (known isomers: 0; isobaric peaks: 2)","exact_mass":281.186,"inchikey":"KPDJJNNIWNBMPG-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":281.186,"smiles":"C[N+](C)(C)CC(O)CC(=O)NCCc1ccc(O)cc1","spectrum_id":"CCMSLIB00017390790","spectrum_index":587},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3-Phenyllactic acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":309.157623,"inchikey":"IDRCQWFXGNGKAR-KZUDCZAMSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.164,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)[C@@H](O)Cc1ccccc1","spectrum_id":"CCMSLIB00017390799","spectrum_index":588},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390800","spectrum_index":589},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390801","spectrum_index":590},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_octanol (known isomers: 0; isobaric peaks: 4)","exact_mass":316.248,"inchikey":"JLGHNTACPJLSJI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.248,"smiles":"CCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390804","spectrum_index":591},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_octanol (known isomers: 0; isobaric peaks: 4)","exact_mass":316.248,"inchikey":"JLGHNTACPJLSJI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.248,"smiles":"CCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390805","spectrum_index":592},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_1,9-nonanediol (known isomers: 0; isobaric peaks: 0)\"","exact_mass":346.258,"inchikey":"KHMOLOQWIJCCEL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":346.258,"smiles":"CC(=O)OC(CC(=O)OCCCCCCCCCO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390806","spectrum_index":593},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_ethanolamine (known isomers: 0; isobaric peaks: 2)","exact_mass":247.166,"inchikey":"XSBUKQPYKYXYIT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":247.166,"smiles":"CC(=O)OC(CC(=O)OCCN)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390807","spectrum_index":594},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_(S)-pyrrolodine-2-ylmethanol (known isomers: 1; isobaric peaks: 1)","exact_mass":287.196,"inchikey":"LJMVFPJOQJZMEK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.196,"smiles":"CC(=O)OC(CC(=O)OCC1CCCN1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390808","spectrum_index":595},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_L-borneol (known isomers: 0; isobaric peaks: 1)","exact_mass":340.248,"inchikey":"IXNFDINAQNMGCQ-SIBBFIEHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":340.248,"smiles":"CC(=O)OC(CC(=O)O[C@@H]1CC2CCC1(C)C2(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390809","spectrum_index":596},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_L-borneol (known isomers: 0; isobaric peaks: 1)","exact_mass":340.248,"inchikey":"IXNFDINAQNMGCQ-SIBBFIEHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":340.248,"smiles":"CC(=O)OC(CC(=O)O[C@@H]1CC2CCC1(C)C2(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390810","spectrum_index":597},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_3-bromophenol (known isomers: 2; isobaric peaks: 0)","exact_mass":358.064,"inchikey":"JBHKQYQPEFFFMP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":358.064,"smiles":"CC(=O)OC(CC(=O)Oc1cccc(Br)c1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390811","spectrum_index":598},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_L-menthol (known isomers: 1; isobaric peaks: 2)","exact_mass":342.264,"inchikey":"GEYJPFMIHAIWAM-HMONXNITSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":342.264,"smiles":"CC(=O)OC(CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390812","spectrum_index":599},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_L-menthol (known isomers: 1; isobaric peaks: 2)","exact_mass":342.264,"inchikey":"GEYJPFMIHAIWAM-HMONXNITSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":342.264,"smiles":"CC(=O)OC(CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390813","spectrum_index":600},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-buten-1-ol (known isomers: 2; isobaric peaks: 4)","exact_mass":258.17,"inchikey":"CBOPJUOMVHILCG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":258.17,"smiles":"CC=CCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390814","spectrum_index":601},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_piperidin-4-ol (known isomers: 1; isobaric peaks: 1)","exact_mass":287.196,"inchikey":"HZQGLSAYYSYHGA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.196,"smiles":"CC(=O)OC(CC(=O)OC1CCNCC1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390815","spectrum_index":602},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_methallyl-alcohol (known isomers: 2; isobaric peaks: 4)","exact_mass":258.17,"inchikey":"SOUOANFBZNCYNK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":258.17,"smiles":"C=C(C)COC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390816","spectrum_index":603},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_4-methylbenzyl-alcohol (known isomers: 0; isobaric peaks: 6)","exact_mass":308.185,"inchikey":"PBQQDSFEMPPWGR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.185,"smiles":"CC(=O)OC(CC(=O)OCc1ccc(C)cc1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390817","spectrum_index":604},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_4-methylbenzyl-alcohol (known isomers: 0; isobaric peaks: 6)","exact_mass":308.186,"inchikey":"PBQQDSFEMPPWGR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.186,"smiles":"CC(=O)OC(CC(=O)OCc1ccc(C)cc1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390818","spectrum_index":605},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_2,3-pinanediol (known isomers: 1; isobaric peaks: 0)\"","exact_mass":356.242,"inchikey":"XVDGLCCJIQDMAI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":356.242,"smiles":"CC(=O)OC(CC(=O)OC1(C)C(O)CC2CC1C2(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390819","spectrum_index":606},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_3-methoxy-1-propanol (known isomers: 0; isobaric peaks: 0)","exact_mass":276.18,"inchikey":"HLXFZYUALRKWAD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":276.18,"smiles":"COCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390820","spectrum_index":607},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_2,3-pinanediol (known isomers: 1; isobaric peaks: 0)\"","exact_mass":356.242,"inchikey":"YZSJAADHTIONBY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":356.242,"smiles":"CC(=O)OC(CC(=O)OC1CC2CC(C2(C)C)C1(C)O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390821","spectrum_index":608},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_6-bromo-2-naphthol (known isomers: 1; isobaric peaks: 0)","exact_mass":408.08,"inchikey":"IYTNPBUVDCSKMC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":408.08,"smiles":"CC(=O)OC(CC(=O)Oc1ccc2cc(Br)ccc2c1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390822","spectrum_index":609},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_2,6-dihydroxyacetophenone (known isomers: 0; isobaric peaks: 0)\"","exact_mass":338.16,"inchikey":"HYUPUQHZDYFGLN-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":338.16,"smiles":"CC(=O)OC(CC(=O)Oc1cccc(O)c1C(C)=O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390823","spectrum_index":610},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_heptanol (known isomers: 0; isobaric peaks: 3)","exact_mass":302.232,"inchikey":"NAMLDGVSHROGFZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.232,"smiles":"CCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390824","spectrum_index":611},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_7-bromo-2-naphthol (known isomers: 1; isobaric peaks: 0)","exact_mass":408.08,"inchikey":"CIHMIDHSLSOJJF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":408.08,"smiles":"CC(=O)OC(CC(=O)Oc1ccc2ccc(Br)cc2c1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390825","spectrum_index":612},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_1,5-pentanediol (known isomers: 0; isobaric peaks: 0)\"","exact_mass":290.196,"inchikey":"GILKFJGIDXZDGR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":290.196,"smiles":"CC(=O)OC(CC(=O)OCCCCCO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390826","spectrum_index":613},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-phenyl-1-butanol (known isomers: 0; isobaric peaks: 0)","exact_mass":336.216,"inchikey":"ZCNRUMFXSSLRQG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":336.216,"smiles":"CCCC(OC(=O)CC(C[N+](C)(C)C)OC(C)=O)c1ccccc1","spectrum_id":"CCMSLIB00017390827","spectrum_index":614},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_9-decen-1-ol (known isomers: 1; isobaric peaks: 2)","exact_mass":342.264,"inchikey":"NRUOIAVKDYJNLR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":342.264,"smiles":"C=CCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390828","spectrum_index":615},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_9-decen-1-ol (known isomers: 1; isobaric peaks: 2)","exact_mass":342.264,"inchikey":"NRUOIAVKDYJNLR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":342.264,"smiles":"C=CCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390829","spectrum_index":616},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_5-hexen-1-ol (known isomers: 0; isobaric peaks: 1)","exact_mass":286.201,"inchikey":"AVKOZFNNMPRLIH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":286.201,"smiles":"C=CCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390830","spectrum_index":617},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_1,7-heptanediol (known isomers: 0; isobaric peaks: 1)\"","exact_mass":318.227,"inchikey":"TTZZKDFAAOVUPH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.227,"smiles":"CC(=O)OC(CC(=O)OCCCCCCCO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390831","spectrum_index":618},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-pentanol (known isomers: 3; isobaric peaks: 2)","exact_mass":274.201,"inchikey":"PXKZMIPNWASVJE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390832","spectrum_index":619},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-pentanol (known isomers: 3; isobaric peaks: 2)","exact_mass":274.201,"inchikey":"PXKZMIPNWASVJE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390833","spectrum_index":620},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-pentanol (known isomers: 3; isobaric peaks: 2)","exact_mass":274.201,"inchikey":"PXKZMIPNWASVJE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390834","spectrum_index":621},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_4-methoxybenzyl-alcohol (known isomers: 0; isobaric peaks: 0)","exact_mass":324.18,"inchikey":"YGLKUMFMJPPGBK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":324.18,"smiles":"COc1ccc(COC(=O)CC(C[N+](C)(C)C)OC(C)=O)cc1","spectrum_id":"CCMSLIB00017390835","spectrum_index":622},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_2,6-diphenylphenol (known isomers: 0; isobaric peaks: 1)\"","exact_mass":432.217,"inchikey":"VQPZMHAGFVGHLX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":432.217,"smiles":"CC(=O)OC(CC(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390836","spectrum_index":623},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_3-buten-1-ol (known isomers: 2; isobaric peaks: 4)","exact_mass":258.17,"inchikey":"JXJCFXXYBFULLW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":258.17,"smiles":"C=CCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390837","spectrum_index":624},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_4-bromophenol (known isomers: 2; isobaric peaks: 0)","exact_mass":358.064,"inchikey":"KPOUDJMZFZYUDO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":358.064,"smiles":"CC(=O)OC(CC(=O)Oc1ccc(Br)cc1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390838","spectrum_index":625},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-decanol (known isomers: 0; isobaric peaks: 1)","exact_mass":344.279,"inchikey":"OOWXMBMJWXXPKP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.279,"smiles":"CCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390839","spectrum_index":626},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-decanol (known isomers: 0; isobaric peaks: 1)","exact_mass":344.279,"inchikey":"OOWXMBMJWXXPKP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.279,"smiles":"CCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390840","spectrum_index":627},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_3-methyl-1-butanol (known isomers: 3; isobaric peaks: 2)","exact_mass":274.201,"inchikey":"MTVHUKRWUNBTLQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CC(=O)OC(CC(=O)OCCC(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390841","spectrum_index":628},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_3-methyl-1-butanol (known isomers: 3; isobaric peaks: 2)","exact_mass":274.201,"inchikey":"MTVHUKRWUNBTLQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CC(=O)OC(CC(=O)OCCC(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390842","spectrum_index":629},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_3-methyl-1-butanol (known isomers: 3; isobaric peaks: 2)","exact_mass":274.201,"inchikey":"MTVHUKRWUNBTLQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CC(=O)OC(CC(=O)OCCC(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390843","spectrum_index":630},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-iodophenol (known isomers: 1; isobaric peaks: 0)","exact_mass":406.05,"inchikey":"FXUPKHQSCIHKGM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.05,"smiles":"CC(=O)OC(CC(=O)Oc1ccccc1I)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390844","spectrum_index":631},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_3-(1-piperazino)phenol (known isomers: 0; isobaric peaks: 2)","exact_mass":364.225,"inchikey":"GFXLLZBAXNQZHQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.225,"smiles":"CC(=O)OC(CC(=O)Oc1cccc(N2CCNCC2)c1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390845","spectrum_index":632},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-bromophenol (known isomers: 2; isobaric peaks: 0)","exact_mass":358.064,"inchikey":"VHNRPIOCBVVHOX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":358.064,"smiles":"CC(=O)OC(CC(=O)Oc1ccccc1Br)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390846","spectrum_index":633},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_5-hexyn-1-ol (known isomers: 0; isobaric peaks: 1)","exact_mass":284.185,"inchikey":"FSMACZGSKCIFII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":284.185,"smiles":"C#CCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390847","spectrum_index":634},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-tetradecanol (known isomers: 0; isobaric peaks: 1)","exact_mass":400.342,"inchikey":"YAMUZZMEZVQPCZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":400.342,"smiles":"CCCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390848","spectrum_index":635},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-methyl-2-butanol (known isomers: 3; isobaric peaks: 2)","exact_mass":274.201,"inchikey":"HLKNFYKQPWTQTF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CCC(C)(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390849","spectrum_index":636},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-methyl-2-butanol (known isomers: 3; isobaric peaks: 2)","exact_mass":274.201,"inchikey":"HLKNFYKQPWTQTF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CCC(C)(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390850","spectrum_index":637},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-methyl-2-butanol (known isomers: 3; isobaric peaks: 2)","exact_mass":274.201,"inchikey":"HLKNFYKQPWTQTF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CCC(C)(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390851","spectrum_index":638},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_neopentyl-alcohol (known isomers: 3; isobaric peaks: 2)","exact_mass":274.201,"inchikey":"QQRCAGIIHHNXNA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CC(=O)OC(CC(=O)OCC(C)(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390852","spectrum_index":639},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_neopentyl-alcohol (known isomers: 3; isobaric peaks: 2)","exact_mass":274.201,"inchikey":"QQRCAGIIHHNXNA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CC(=O)OC(CC(=O)OCC(C)(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390853","spectrum_index":640},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_neopentyl-alcohol (known isomers: 3; isobaric peaks: 2)","exact_mass":274.201,"inchikey":"QQRCAGIIHHNXNA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CC(=O)OC(CC(=O)OCC(C)(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390854","spectrum_index":641},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_8-chloro-1-octanol (known isomers: 0; isobaric peaks: 1)","exact_mass":350.209,"inchikey":"CZRFYOLZTNJTIF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":350.209,"smiles":"CC(=O)OC(CC(=O)OCCCCCCCCCl)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390855","spectrum_index":642},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_4-methoxyphenol (known isomers: 0; isobaric peaks: 1)","exact_mass":310.164,"inchikey":"FUEWEFANBGSZND-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.164,"smiles":"COc1ccc(OC(=O)CC(C[N+](C)(C)C)OC(C)=O)cc1","spectrum_id":"CCMSLIB00017390856","spectrum_index":643},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_1,10-decandiol (known isomers: 0; isobaric peaks: 0)\"","exact_mass":360.274,"inchikey":"GKMUTYLABFXDCM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":360.274,"smiles":"CC(=O)OC(CC(=O)OCCCCCCCCCCO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390857","spectrum_index":644},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-propanol (known isomers: 0; isobaric peaks: 1)","exact_mass":246.17,"inchikey":"ZLIXLSPIYCDPDY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":246.17,"smiles":"CCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390858","spectrum_index":645},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-thiophenemethanol (known isomers: 0; isobaric peaks: 0)","exact_mass":300.126,"inchikey":"GVYVLBNWMZNJRJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.126,"smiles":"CC(=O)OC(CC(=O)OCc1cccs1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390859","spectrum_index":646},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-pentadecanol (known isomers: 0; isobaric peaks: 1)","exact_mass":414.357,"inchikey":"HWBNWBDPYGVLLM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":414.357,"smiles":"CCCCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017390860","spectrum_index":647},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_4-iodophenol (known isomers: 1; isobaric peaks: 0)","exact_mass":406.05,"inchikey":"WOSIWEYMFDKCCO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":406.05,"smiles":"CC(=O)OC(CC(=O)Oc1ccc(I)cc1)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390861","spectrum_index":648},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390862","spectrum_index":649},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Norursodeoxycholic acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":521.371638,"inchikey":"IKDCDGSSDCBLBQ-BPCOSPLKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.379,"smiles":"C[C@H](CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390863","spectrum_index":650},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Norursodeoxycholic acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":521.371638,"inchikey":"IKDCDGSSDCBLBQ-BPCOSPLKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.379,"smiles":"C[C@H](CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390864","spectrum_index":651},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Norursodeoxycholic acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":521.371638,"inchikey":"IKDCDGSSDCBLBQ-BPCOSPLKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.381,"smiles":"C[C@H](CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390865","spectrum_index":652},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dehydrocholic-acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":545.335253,"inchikey":"NGNSXBFOXQBMES-WUDUFPHBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":546.343,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C","spectrum_id":"CCMSLIB00017390866","spectrum_index":653},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390867","spectrum_index":654},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Ursodeoxycholyl sacrosine_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":606.424402,"inchikey":"CKQQHWUTPVJONO-WKFXOAQLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":607.431,"smiles":"C[C@H](CCC(=O)N(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390868","spectrum_index":655},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Ursodeoxycholyl sacrosine_Carnitine (known isomers: 2; isobaric peaks: 2)","exact_mass":606.424402,"inchikey":"CKQQHWUTPVJONO-WKFXOAQLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":629.415,"smiles":"C[C@H](CCC(=O)N(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390869","spectrum_index":656},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390870","spectrum_index":657},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"S-2-(4-Isobutylphenyl) propionic acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":349.225308,"inchikey":"MPGVGVONWHJWJT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":350.233,"smiles":"CC(C)Cc1ccc(C(C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017390871","spectrum_index":658},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390872","spectrum_index":659},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390873","spectrum_index":660},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Chenodeoxycholic-acid_Carnitine (known isomers: 0; isobaric peaks: 6)","exact_mass":535.387288,"inchikey":"MYIZOALDGXKAOQ-CUQLFCBRSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.394,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390874","spectrum_index":661},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Chenodeoxycholic-acid_Carnitine (known isomers: 0; isobaric peaks: 6)","exact_mass":535.387288,"inchikey":"MYIZOALDGXKAOQ-CUQLFCBRSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.395,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390875","spectrum_index":662},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Chenodeoxycholic-acid_Carnitine (known isomers: 0; isobaric peaks: 6)","exact_mass":535.387288,"inchikey":"MYIZOALDGXKAOQ-CUQLFCBRSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.394,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390876","spectrum_index":663},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Chenodeoxycholic-acid_Carnitine (known isomers: 0; isobaric peaks: 3)","exact_mass":535.387288,"inchikey":"MYIZOALDGXKAOQ-CUQLFCBRSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":558.375,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390877","spectrum_index":664},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390878","spectrum_index":665},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dodecanoic acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":343.272259,"inchikey":"FUJLYHJROOYKRA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.28,"smiles":"CCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390879","spectrum_index":666},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hyodeoxychcolic acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":535.387288,"inchikey":"FAZCKVSTACIECA-UAJQCZHPSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.394,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390880","spectrum_index":667},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390881","spectrum_index":668},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390882","spectrum_index":669},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hyocholic-acid_Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":551.382203,"inchikey":"FJBWQUMISMCNKY-XWAGOPPUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":552.391,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390883","spectrum_index":670},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Hyocholic-acid_Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":551.382203,"inchikey":"FJBWQUMISMCNKY-XWAGOPPUSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":552.39,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017390884","spectrum_index":671},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390885","spectrum_index":672},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-carnitine_cyclopentylamine (known isomers: 2; isobaric peaks: 1)","exact_mass":229.191,"inchikey":"CAEOVIOCDWKUOO-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.191,"smiles":"C[N+](C)(C)CC(O)CC(=O)NC1CCCC1","spectrum_id":"CCMSLIB00017390886","spectrum_index":673},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-carnitine_2-cyclopropylethanamine (known isomers: 2; isobaric peaks: 1)","exact_mass":229.191,"inchikey":"SECGBZSWCXVYBT-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.191,"smiles":"C[N+](C)(C)CC(O)CC(=O)NCCC1CC1","spectrum_id":"CCMSLIB00017390887","spectrum_index":674},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-carnitine_o-Anisidine (known isomers: 2; isobaric peaks: 2)","exact_mass":267.17,"inchikey":"DSFDCLBABQKSPN-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.17,"smiles":"COc1ccccc1NC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390888","spectrum_index":675},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-carnitine_o-Anisidine (known isomers: 2; isobaric peaks: 2)","exact_mass":267.17,"inchikey":"DSFDCLBABQKSPN-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.17,"smiles":"COc1ccccc1NC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390889","spectrum_index":676},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-carnitine_2-aminomethylphenol (known isomers: 2; isobaric peaks: 2)","exact_mass":267.17,"inchikey":"NABNGGLKCQQUTF-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.17,"smiles":"C[N+](C)(C)CC(O)CC(=O)NCc1ccccc1O","spectrum_id":"CCMSLIB00017390890","spectrum_index":677},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-carnitine_2-aminomethylphenol (known isomers: 2; isobaric peaks: 2)","exact_mass":267.17,"inchikey":"NABNGGLKCQQUTF-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.17,"smiles":"C[N+](C)(C)CC(O)CC(=O)NCc1ccccc1O","spectrum_id":"CCMSLIB00017390891","spectrum_index":678},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-carnitine_primaquine (known isomers: 0; isobaric peaks: 0)","exact_mass":403.271,"inchikey":"TZDURKZWEBVZTG-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":403.271,"smiles":"COc1cc(NC(C)CCCNC(=O)CC(O)C[N+](C)(C)C)c2ncccc2c1","spectrum_id":"CCMSLIB00017390892","spectrum_index":679},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"L-carnitine_1,2,3,4-tetrahydro-1-naphthylamine (known isomers: 0; isobaric peaks: 0)\"","exact_mass":291.207,"inchikey":"OACUCBOPSTUJEX-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":291.207,"smiles":"C[N+](C)(C)CC(O)CC(=O)NC1CCCc2ccccc21","spectrum_id":"CCMSLIB00017390893","spectrum_index":680},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-carnitine_heptylamine (known isomers: 0; isobaric peaks: 0)","exact_mass":259.238,"inchikey":"MEWCSPLCNLRLBR-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":259.238,"smiles":"CCCCCCCNC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390894","spectrum_index":681},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"L-carnitine_2-amino-1,2-diphenylethanol (known isomers: 0; isobaric peaks: 0)\"","exact_mass":357.217,"inchikey":"KUMCWYIAHPIJTQ-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.217,"smiles":"C[N+](C)(C)CC(O)CC(=O)NC(c1ccccc1)C(O)c1ccccc1","spectrum_id":"CCMSLIB00017390895","spectrum_index":682},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-carnitine_3-(aminomethyl)phenol (known isomers: 2; isobaric peaks: 2)","exact_mass":267.17,"inchikey":"LJRQSUYPAUZMID-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.17,"smiles":"C[N+](C)(C)CC(O)CC(=O)NCc1cccc(O)c1","spectrum_id":"CCMSLIB00017390896","spectrum_index":683},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-carnitine_3-(aminomethyl)phenol (known isomers: 2; isobaric peaks: 2)","exact_mass":267.17,"inchikey":"LJRQSUYPAUZMID-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":267.17,"smiles":"C[N+](C)(C)CC(O)CC(=O)NCc1cccc(O)c1","spectrum_id":"CCMSLIB00017390897","spectrum_index":684},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-carnitine_oleylamine (known isomers: 0; isobaric peaks: 0)","exact_mass":411.395,"inchikey":"YNSNNHKQIUWVMW-SEYXRHQNSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":411.395,"smiles":"CCCCCCCC/C=C\\CCCCCCCCNC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390898","spectrum_index":685},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"L-carnitine_3,4-difluorobenzylamine (known isomers: 0; isobaric peaks: 0)\"","exact_mass":287.157,"inchikey":"UKCSLBOFYIDTOU-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.157,"smiles":"C[N+](C)(C)CC(O)CC(=O)NCc1ccc(F)c(F)c1","spectrum_id":"CCMSLIB00017390899","spectrum_index":686},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-carnitine_octylamine (known isomers: 0; isobaric peaks: 0)","exact_mass":273.254,"inchikey":"RETBNKQBOMWLGU-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":273.254,"smiles":"CCCCCCCCNC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390900","spectrum_index":687},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-carnitine_1-aminopentadecane (known isomers: 0; isobaric peaks: 0)","exact_mass":371.363,"inchikey":"FOKYALYGQQLPRO-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":371.363,"smiles":"CCCCCCCCCCCCCCCNC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390901","spectrum_index":688},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"L-carnitine_piperidine (known isomers: 2; isobaric peaks: 1)","exact_mass":229.191,"inchikey":"GMWKHSKKDHLBGA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":229.191,"smiles":"C[N+](C)(C)CC(O)CC(=O)N1CCCCC1","spectrum_id":"CCMSLIB00017390902","spectrum_index":689},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Neotame_Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":521.310101,"inchikey":"HYPRNKCOLMEWMF-QIFDKBNDSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":522.316,"smiles":"COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)NCCC(C)(C)C","spectrum_id":"CCMSLIB00017390903","spectrum_index":690},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390904","spectrum_index":691},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390905","spectrum_index":692},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"7a,12a-Dihydroxycholanoic-acid_Carnitine (known isomers: 0; isobaric peaks: 1)\"","exact_mass":535.387288,"inchikey":"NOXROKUAMBBETI-VUXPJVHESA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.394,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","spectrum_id":"CCMSLIB00017390906","spectrum_index":693},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390907","spectrum_index":694},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390908","spectrum_index":695},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390909","spectrum_index":696},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"N-Lauroylsarcosine_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":414.309372,"inchikey":"ZYOQMNBODJSMHP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.316,"smiles":"CCCCCCCCCCCC(=O)N(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C","spectrum_id":"CCMSLIB00017390910","spectrum_index":697},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390911","spectrum_index":698},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390912","spectrum_index":699},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"DOPA_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":340.163436,"inchikey":"PGJRRAUNGYWNBA-KIYNQFGBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":341.171,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)[C@@H](N)Cc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017390948","spectrum_index":700},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390949","spectrum_index":701},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390950","spectrum_index":702},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017390951","spectrum_index":703},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"N-Acetyl-D-Glucosamine_2-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 0)","exact_mass":376.184566,"inchikey":"NPVSYEBPISQPHL-IMDXNRAZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.191,"smiles":"CC(=O)N(C(=O)C(C)CCC(=O)N(C)C)[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00017390952","spectrum_index":704},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"N-Acetyl-D-Glucosamine_2-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":376.184566,"inchikey":"NPVSYEBPISQPHL-IMDXNRAZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.174,"smiles":"CC(=O)N(C(=O)C(C)CCC(=O)N(C)C)[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00017390953","spectrum_index":705},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"N-Acetyl-D-Glucosamine_tridecanedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":474.294116,"inchikey":"CIGAULSLTCYJSA-ODVBKUSYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":475.303,"smiles":"CC(=O)N(C(=O)CCCCCCCCCCCC(=O)N(C)C)[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00017390954","spectrum_index":706},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"N-Acetyl-D-Glucosamine_2-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 0)","exact_mass":376.184566,"inchikey":"TXTBSYAUIPWNMW-IMDXNRAZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.191,"smiles":"CC(=O)N(C(=O)CCC(C)C(=O)N(C)C)[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00017390955","spectrum_index":707},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"N-Acetyl-D-Glucosamine_2-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":376.184566,"inchikey":"TXTBSYAUIPWNMW-IMDXNRAZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.174,"smiles":"CC(=O)N(C(=O)CCC(C)C(=O)N(C)C)[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00017390956","spectrum_index":708},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"N-Acetyl-D-Glucosamine_adipic acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 0)","exact_mass":376.184566,"inchikey":"DYEWXDBXFXUKKI-ZTNWJSEGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.191,"smiles":"CC(=O)N(C(=O)CCCCC(=O)N(C)C)[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00017390957","spectrum_index":709},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"N-Acetyl-D-Glucosamine_adipic acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":376.184566,"inchikey":"DYEWXDBXFXUKKI-ZTNWJSEGSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.174,"smiles":"CC(=O)N(C(=O)CCCCC(=O)N(C)C)[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00017390958","spectrum_index":710},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"N-Acetyl-D-Glucosamine_3-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 0)","exact_mass":376.184566,"inchikey":"XDRWLZVWZNEJMA-IBIROKADSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":377.191,"smiles":"CC(=O)N(C(=O)CC(C)CC(=O)N(C)C)[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00017390960","spectrum_index":711},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"N-Acetyl-D-Glucosamine_3-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":376.184566,"inchikey":"XDRWLZVWZNEJMA-IBIROKADSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":399.174,"smiles":"CC(=O)N(C(=O)CC(C)CC(=O)N(C)C)[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00017390961","spectrum_index":712},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_L-Aspartyl-L-Phenylalanine_Taurine (known isomers: 1; isobaric peaks: 0)","exact_mass":414.157306,"inchikey":"HAELNKSTJQKMNQ-KBPBESRZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.164,"smiles":"CN(C)C(=O)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCS(=O)(=O)O","spectrum_id":"CCMSLIB00017390963","spectrum_index":713},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":284.246378,"inchikey":"RXEKHKMZIOAJFL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.254,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390964","spectrum_index":714},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_1,11-undecanedicarboxylic acid_Creatine (known isomers: 1; isobaric peaks: 2)\"","exact_mass":356.242356,"inchikey":"LQAKXAYXLKYJPV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.249,"smiles":"CN(C)C(=O)CCCCCCCCCC(=O)NC(=N)N(C)CC(=O)O","spectrum_id":"CCMSLIB00017390965","spectrum_index":715},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_sebacic-acid_Dopamine (known isomers: 0; isobaric peaks: 1)","exact_mass":364.236208,"inchikey":"GHXNVAZYEIFDLA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.244,"smiles":"CN(C)C(=O)CCCCCCCCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017390966","spectrum_index":716},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-methylfumaric acid_GABA (known isomers: 2; isobaric peaks: 1)","exact_mass":242.126657,"inchikey":"DOBPNCCNJVOESY-BQYQJAHWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":243.134,"smiles":"C/C(=C\\C(=O)NCCCC(=O)O)C(=O)N(C)C","spectrum_id":"CCMSLIB00017390967","spectrum_index":717},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_azelic acid_Dopamine (known isomers: 0; isobaric peaks: 1)","exact_mass":350.220557,"inchikey":"FXGWNUNCPAVPRC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.228,"smiles":"CN(C)C(=O)CCCCCCCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017390968","spectrum_index":718},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_azelic acid_GABA (known isomers: 1; isobaric peaks: 2)","exact_mass":300.204907,"inchikey":"POLHBZVKCRXJGV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.212,"smiles":"CN(C)C(=O)CCCCCCCC(=O)NCCCC(=O)O","spectrum_id":"CCMSLIB00017390969","spectrum_index":719},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_L-Aspartyl-L-Phenylalanine_Taurine (known isomers: 1; isobaric peaks: 0)","exact_mass":414.157306,"inchikey":"PPLFANVZMHKNCT-KBPBESRZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":415.164,"smiles":"CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)NCCS(=O)(=O)O","spectrum_id":"CCMSLIB00017390970","spectrum_index":720},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_dodecanedioic acid_Valeramide (known isomers: 0; isobaric peaks: 0)","exact_mass":424.366493,"inchikey":"VJDIPTIHPZKAND-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":425.374,"smiles":"CCCCCCN(C(=O)CCCC)C(=O)CCCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390971","spectrum_index":721},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-methylsuccinic acid_Dopamine (known isomers: 1; isobaric peaks: 0)","exact_mass":294.157957,"inchikey":"YDFQAPJSFABCLF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.165,"smiles":"CC(CC(=O)NCCc1ccc(O)c(O)c1)C(=O)N(C)C","spectrum_id":"CCMSLIB00017390972","spectrum_index":722},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-methylsuccinic acid_Dopamine (known isomers: 1; isobaric peaks: 0)","exact_mass":294.157957,"inchikey":"YDFQAPJSFABCLF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":312.192,"smiles":"CC(CC(=O)NCCc1ccc(O)c(O)c1)C(=O)N(C)C","spectrum_id":"CCMSLIB00017390973","spectrum_index":723},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_sebacic-acid_Creatine (known isomers: 0; isobaric peaks: 1)","exact_mass":284.221226,"inchikey":"YHRBJSUWLKPCBJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":285.229,"smiles":"CN(C)C(=O)CCCCCCCCC(=O)N(C)C(=N)N","spectrum_id":"CCMSLIB00017390974","spectrum_index":724},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_1,11-undecanedicarboxylic acid_Creatine (known isomers: 0; isobaric peaks: 2)\"","exact_mass":298.236876,"inchikey":"KRTCQMBZEFFDLA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":299.244,"smiles":"CN(C)C(=O)CCCCCCCCCC(=O)N(C)C(=N)N","spectrum_id":"CCMSLIB00017390975","spectrum_index":725},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_sebacic-acid_Creatine (known isomers: 1; isobaric peaks: 2)","exact_mass":300.204907,"inchikey":"UYAFKWFXOGMKMC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":301.212,"smiles":"CN(C)C(=O)CCCCCCCCC(=O)N(C)CC(=O)O","spectrum_id":"CCMSLIB00017390976","spectrum_index":726},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_mesaconic acid_Valeramide (known isomers: 0; isobaric peaks: 0)","exact_mass":438.382143,"inchikey":"AOJRSPQGIBQBTB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":439.39,"smiles":"CCCCCCN(C(=O)CCCC)C(=O)CCCCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017390977","spectrum_index":727},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_azelic acid_Creatine (known isomers: 1; isobaric peaks: 0)","exact_mass":328.211055,"inchikey":"CIQUIEOFGDRASI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.218,"smiles":"CN(C)C(=O)CCCCCCCC(=O)NC(=N)N(C)CC(=O)O","spectrum_id":"CCMSLIB00017390978","spectrum_index":728},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-methylfumaric acid_GABA (known isomers: 2; isobaric peaks: 1)","exact_mass":242.126657,"inchikey":"JPRCPQOTVBIXBP-BQYQJAHWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":243.134,"smiles":"C/C(=C\\C(=O)N(C)C)C(=O)NCCCC(=O)O","spectrum_id":"CCMSLIB00017390979","spectrum_index":729},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-methylsuccinic acid_Dopamine (known isomers: 1; isobaric peaks: 0)","exact_mass":294.157957,"inchikey":"GBQSICWDJKRKIN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.165,"smiles":"CC(CC(=O)N(C)C)C(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017390980","spectrum_index":730},{"adduct":"[M+NH3+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-methylsuccinic acid_Dopamine (known isomers: 1; isobaric peaks: 0)","exact_mass":294.157957,"inchikey":"GBQSICWDJKRKIN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":312.192,"smiles":"CC(CC(=O)N(C)C)C(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017390981","spectrum_index":731},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_malic acid_2-Aminophenol (known isomers: 1; isobaric peaks: 1)","exact_mass":252.111007,"inchikey":"DGOLQNYJNPMRQI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.118,"smiles":"CN(C)C(=O)C(O)CC(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390982","spectrum_index":732},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_suberic acid_GABA (known isomers: 1; isobaric peaks: 0)","exact_mass":286.189257,"inchikey":"NVGPNMJPZIIBIA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.196,"smiles":"CN(C)C(=O)CCCCCCC(=O)NCCCC(=O)O","spectrum_id":"CCMSLIB00017390983","spectrum_index":733},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_dodecanedioic acid_Creatine (known isomers: 1; isobaric peaks: 2)","exact_mass":356.242356,"inchikey":"UQLHQYAAWSTXGH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":357.249,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)N(CC(=O)O)C(=N)N","spectrum_id":"CCMSLIB00017390984","spectrum_index":734},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_malic acid_2-Aminophenol (known isomers: 1; isobaric peaks: 1)","exact_mass":252.111007,"inchikey":"GAVBSGOXTZHGHZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":253.118,"smiles":"CN(C)C(=O)CC(O)C(=O)Nc1ccccc1O","spectrum_id":"CCMSLIB00017390985","spectrum_index":735},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_hex-3-enedioic acid_GABA (known isomers: 0; isobaric peaks: 0)","exact_mass":256.142307,"inchikey":"ZGGBLERLTSKYOZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":257.15,"smiles":"CN(C)C(=O)CC=CCC(=O)NCCCC(=O)O","spectrum_id":"CCMSLIB00017390986","spectrum_index":736},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_azelic acid_Creatine (known isomers: 1; isobaric peaks: 0)","exact_mass":286.189257,"inchikey":"ONEIYURUHMSUNM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":287.196,"smiles":"CN(C)C(=O)CCCCCCCC(=O)N(C)CC(=O)O","spectrum_id":"CCMSLIB00017390987","spectrum_index":737},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_sebacic-acid_Creatine (known isomers: 1; isobaric peaks: 0)","exact_mass":328.211055,"inchikey":"ZEEQYTOYDMJYSI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":329.218,"smiles":"CN(C)C(=O)CCCCCCCCC(=O)N(CC(=O)O)C(=N)N","spectrum_id":"CCMSLIB00017390988","spectrum_index":738},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_hex-3-enedioic acid_Creatine (known isomers: 2; isobaric peaks: 1)","exact_mass":242.126657,"inchikey":"ACEXTRWEAFZHMK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":243.134,"smiles":"CN(C)C(=O)CC=CCC(=O)N(C)CC(=O)O","spectrum_id":"CCMSLIB00017390989","spectrum_index":739},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_adipic acid (known isomers: 3; isobaric peaks: 1)","exact_mass":173.105193,"inchikey":"UBAFHUGMOCFDQB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":196.094,"smiles":"CN(C)C(=O)CCCCC(=O)O","spectrum_id":"CCMSLIB00017390990","spectrum_index":740},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_suberic acid (known isomers: 0; isobaric peaks: 1)","exact_mass":201.136493,"inchikey":"XRNDOYSVELWDPA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":202.144,"smiles":"CN(C)C(=O)CCCCCCC(=O)O","spectrum_id":"CCMSLIB00017390991","spectrum_index":741},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-methylglutaric acid (known isomers: 3; isobaric peaks: 1)","exact_mass":173.105193,"inchikey":"QJMVGDCHVQZJHS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":196.094,"smiles":"CC(CCC(=O)O)C(=O)N(C)C","spectrum_id":"CCMSLIB00017390992","spectrum_index":742},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_2-methylglutaric acid (known isomers: 3; isobaric peaks: 1)","exact_mass":173.105193,"inchikey":"KPXYOOSTHMRYFN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":196.094,"smiles":"CC(CCC(=O)N(C)C)C(=O)O","spectrum_id":"CCMSLIB00017390993","spectrum_index":743},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_pimelic acid (known isomers: 0; isobaric peaks: 1)","exact_mass":187.120843,"inchikey":"YPTQQRMIENZHHU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":188.128,"smiles":"CN(C)C(=O)CCCCCC(=O)O","spectrum_id":"CCMSLIB00017390994","spectrum_index":744},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_pimelic acid (known isomers: 0; isobaric peaks: 1)","exact_mass":187.120843,"inchikey":"YPTQQRMIENZHHU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":188.128,"smiles":"CN(C)C(=O)CCCCCC(=O)O","spectrum_id":"CCMSLIB00017390995","spectrum_index":745},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_sebacic-acid (known isomers: 0; isobaric peaks: 3)","exact_mass":229.167794,"inchikey":"QOAFDIOUYGRNNK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.175,"smiles":"CN(C)C(=O)CCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017390996","spectrum_index":746},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_3-methylglutaric acid (known isomers: 3; isobaric peaks: 1)","exact_mass":173.105193,"inchikey":"VICPYJHQZBYFHO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":196.094,"smiles":"CC(CC(=O)O)CC(=O)N(C)C","spectrum_id":"CCMSLIB00017390997","spectrum_index":747},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_mesaconic acid (known isomers: 0; isobaric peaks: 5)","exact_mass":271.214744,"inchikey":"WUHSPSQKOFPGJS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.222,"smiles":"CN(C)C(=O)CCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017390998","spectrum_index":748},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_mesaconic acid (known isomers: 0; isobaric peaks: 5)","exact_mass":271.214744,"inchikey":"WUHSPSQKOFPGJS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.222,"smiles":"CN(C)C(=O)CCCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017390999","spectrum_index":749},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_dodecanedioic acid (known isomers: 0; isobaric peaks: 5)","exact_mass":257.199094,"inchikey":"QGFJTHMYBFLASI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":258.207,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017391000","spectrum_index":750},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_dodecanedioic acid (known isomers: 0; isobaric peaks: 5)","exact_mass":257.199094,"inchikey":"QGFJTHMYBFLASI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":258.207,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017391001","spectrum_index":751},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_azelic acid (known isomers: 0; isobaric peaks: 1)","exact_mass":215.152144,"inchikey":"NKBXLKFAYIFXBU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.159,"smiles":"CN(C)C(=O)CCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017391002","spectrum_index":752},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_azelic acid (known isomers: 0; isobaric peaks: 1)","exact_mass":215.152144,"inchikey":"NKBXLKFAYIFXBU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.16,"smiles":"CN(C)C(=O)CCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017391003","spectrum_index":753},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_1,11-undecanedicarboxylic acid (known isomers: 0; isobaric peaks: 2)\"","exact_mass":243.183444,"inchikey":"KJTWARLARLAEQN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.191,"smiles":"CN(C)C(=O)CCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017391004","spectrum_index":754},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_1,11-undecanedicarboxylic acid (known isomers: 0; isobaric peaks: 2)\"","exact_mass":243.183444,"inchikey":"KJTWARLARLAEQN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.191,"smiles":"CN(C)C(=O)CCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017391005","spectrum_index":755},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Acetyl-L-Carnitine_1,11-undecanedicarboxylic acid (known isomers: 0; isobaric peaks: 2)\"","exact_mass":243.183444,"inchikey":"KJTWARLARLAEQN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.191,"smiles":"CN(C)C(=O)CCCCCCCCCC(=O)O","spectrum_id":"CCMSLIB00017391006","spectrum_index":756},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":203.115758,"inchikey":"RDHQFKQIGNGIED-MRVPVSSYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":204.123,"smiles":"CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391007","spectrum_index":757},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5-Hydroxyindole-3-acetic acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":334.152872,"inchikey":"PQTLXDMCNBYCLE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":335.16,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)Cc1c[nH]c2ccc(O)cc12","spectrum_id":"CCMSLIB00017391008","spectrum_index":758},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017391009","spectrum_index":759},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"p-Coumaric acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":307.141973,"inchikey":"VLYSPNQOEUHYCZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.15,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)/C=C/c1ccc(O)cc1","spectrum_id":"CCMSLIB00017391010","spectrum_index":760},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Cholic-acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":551.382203,"inchikey":"CJABKMRPOPIRSX-WFOMVLHTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":552.389,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","spectrum_id":"CCMSLIB00017391011","spectrum_index":761},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Cholic-acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":551.382203,"inchikey":"CJABKMRPOPIRSX-WFOMVLHTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":552.39,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","spectrum_id":"CCMSLIB00017391012","spectrum_index":762},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Cholic-acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":551.382203,"inchikey":"CJABKMRPOPIRSX-WFOMVLHTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":552.39,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","spectrum_id":"CCMSLIB00017391013","spectrum_index":763},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Cholic-acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":551.382203,"inchikey":"CJABKMRPOPIRSX-WFOMVLHTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":574.37,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","spectrum_id":"CCMSLIB00017391014","spectrum_index":764},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Cholic-acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":551.382203,"inchikey":"CJABKMRPOPIRSX-WFOMVLHTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":574.371,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","spectrum_id":"CCMSLIB00017391015","spectrum_index":765},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017391016","spectrum_index":766},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017391017","spectrum_index":767},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"3, 7b-dimethylglycoursodeoxycholic-acid_Carnitine (known isomers: 0; isobaric peaks: 5)\"","exact_mass":621.447,"inchikey":"LKUCYBOVZGIXGU-SJKBTUNNSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":621.447,"smiles":"C[C@H](CCC(=O)[N+](C)(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017391018","spectrum_index":768},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Chenodeoxycholic acid_Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":535.387288,"inchikey":"MYIZOALDGXKAOQ-CUQLFCBRSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.395,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","spectrum_id":"CCMSLIB00017391019","spectrum_index":769},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017391020","spectrum_index":770},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.113,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017391021","spectrum_index":771},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_heptanol (known isomers: 1; isobaric peaks: 1)","exact_mass":302.232,"inchikey":"NAMLDGVSHROGFZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.232,"smiles":"CCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391023","spectrum_index":772},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_heptanol (known isomers: 1; isobaric peaks: 1)","exact_mass":302.232,"inchikey":"NAMLDGVSHROGFZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.232,"smiles":"CCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391024","spectrum_index":773},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-decanol (known isomers: 0; isobaric peaks: 2)","exact_mass":344.279,"inchikey":"REEDYDTWMMHPBW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":344.279,"smiles":"CCCCCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391025","spectrum_index":774},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-dodecanol (known isomers: 1; isobaric peaks: 0)","exact_mass":372.311,"inchikey":"FHAUJVQEDFVWJH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":372.311,"smiles":"CCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391026","spectrum_index":775},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_1,2,6-trihydroxyl-hexane (known isomers: 2; isobaric peaks: 1)\"","exact_mass":320.208,"inchikey":"IRHATWGPJPMDQV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.208,"smiles":"CC(=O)OC(CC(=O)OCCCCC(O)CO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391027","spectrum_index":776},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-decen-1-ol (known isomers: 1; isobaric peaks: 1)","exact_mass":342.264,"inchikey":"BKVCCKARQBIIBE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":342.264,"smiles":"CCCCCCCC=CCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391028","spectrum_index":777},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_4-decen-1-ol (known isomers: 1; isobaric peaks: 1)","exact_mass":342.264,"inchikey":"ODFXLYYNBOVBFR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":342.264,"smiles":"CCCCCC=CCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391029","spectrum_index":778},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_3-methyl-2-butanol (known isomers: 1; isobaric peaks: 0)","exact_mass":274.201,"inchikey":"YNHJECMYHASNND-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CC(=O)OC(CC(=O)OC(C)C(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391030","spectrum_index":779},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-octanol (known isomers: 1; isobaric peaks: 1)","exact_mass":316.248,"inchikey":"UHQITLZDUCHFKF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.248,"smiles":"CCCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391031","spectrum_index":780},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-octanol (known isomers: 1; isobaric peaks: 1)","exact_mass":316.248,"inchikey":"UHQITLZDUCHFKF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.248,"smiles":"CCCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391032","spectrum_index":781},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_1,2,6-trihydroxyl-hexane (known isomers: 2; isobaric peaks: 1)\"","exact_mass":320.208,"inchikey":"SDNRFXPZWSRSCE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.208,"smiles":"CC(=O)OC(CC(=O)OC(CO)CCCCO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391033","spectrum_index":782},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-octanol (known isomers: 1; isobaric peaks: 1)","exact_mass":316.248,"inchikey":"JLGHNTACPJLSJI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.248,"smiles":"CCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391034","spectrum_index":783},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-octanol (known isomers: 1; isobaric peaks: 1)","exact_mass":316.248,"inchikey":"JLGHNTACPJLSJI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.248,"smiles":"CCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391035","spectrum_index":784},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-methyl-3-pentanol (known isomers: 1; isobaric peaks: 2)","exact_mass":288.217,"inchikey":"DSGAYLFUAFJPDU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.217,"smiles":"CCC(OC(=O)CC(C[N+](C)(C)C)OC(C)=O)C(C)C","spectrum_id":"CCMSLIB00017391036","spectrum_index":785},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-methyl-3-pentanol (known isomers: 1; isobaric peaks: 2)","exact_mass":288.217,"inchikey":"DSGAYLFUAFJPDU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.217,"smiles":"CCC(OC(=O)CC(C[N+](C)(C)C)OC(C)=O)C(C)C","spectrum_id":"CCMSLIB00017391037","spectrum_index":786},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-methyl-3-pentanol (known isomers: 1; isobaric peaks: 2)","exact_mass":288.217,"inchikey":"DSGAYLFUAFJPDU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.217,"smiles":"CCC(OC(=O)CC(C[N+](C)(C)C)OC(C)=O)C(C)C","spectrum_id":"CCMSLIB00017391038","spectrum_index":787},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_1-pentanol (known isomers: 1; isobaric peaks: 0)","exact_mass":274.201,"inchikey":"PXKZMIPNWASVJE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.201,"smiles":"CCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391039","spectrum_index":788},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-ethylphenol (known isomers: 0; isobaric peaks: 0)","exact_mass":308.185,"inchikey":"OPBPOSGISKJZTA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.185,"smiles":"CCc1ccccc1OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391040","spectrum_index":789},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-nonanol (known isomers: 1; isobaric peaks: 2)","exact_mass":330.263,"inchikey":"JXTWUWWXMAHUOM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.263,"smiles":"CCCCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391041","spectrum_index":790},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-nonanol (known isomers: 1; isobaric peaks: 2)","exact_mass":330.264,"inchikey":"JXTWUWWXMAHUOM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.264,"smiles":"CCCCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391042","spectrum_index":791},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-nonanol (known isomers: 1; isobaric peaks: 2)","exact_mass":330.264,"inchikey":"JXTWUWWXMAHUOM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.264,"smiles":"CCCCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391043","spectrum_index":792},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_5-nonanol (known isomers: 1; isobaric peaks: 2)","exact_mass":330.263,"inchikey":"OKILHALSOHIPCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.263,"smiles":"CCCCC(CCCC)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391044","spectrum_index":793},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_5-nonanol (known isomers: 1; isobaric peaks: 2)","exact_mass":330.264,"inchikey":"OKILHALSOHIPCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.264,"smiles":"CCCCC(CCCC)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391045","spectrum_index":794},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_5-nonanol (known isomers: 1; isobaric peaks: 2)","exact_mass":330.264,"inchikey":"OKILHALSOHIPCN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.264,"smiles":"CCCCC(CCCC)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391046","spectrum_index":795},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_1,2,6-trihydroxyl-hexane (known isomers: 2; isobaric peaks: 1)\"","exact_mass":320.208,"inchikey":"APJYTWTYWGCAEO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":320.208,"smiles":"CC(=O)OC(CC(=O)OCC(O)CCCCO)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391047","spectrum_index":796},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-heptanol (known isomers: 1; isobaric peaks: 1)","exact_mass":302.232,"inchikey":"MWKXATHUTOKCNP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.232,"smiles":"CCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391048","spectrum_index":797},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-heptanol (known isomers: 1; isobaric peaks: 1)","exact_mass":302.232,"inchikey":"MWKXATHUTOKCNP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.232,"smiles":"CCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391049","spectrum_index":798},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_2,4-decadien-1-ol (known isomers: 0; isobaric peaks: 2)\"","exact_mass":340.248,"inchikey":"UAFPUJLUSZBKQB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":340.248,"smiles":"CCCCCC=CC=CCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391050","spectrum_index":799},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_2,4-decadien-1-ol (known isomers: 0; isobaric peaks: 2)\"","exact_mass":340.248,"inchikey":"UAFPUJLUSZBKQB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":340.248,"smiles":"CCCCCC=CC=CCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391051","spectrum_index":800},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"acetyl-l-carnitine_2,4-decadien-1-ol (known isomers: 0; isobaric peaks: 2)\"","exact_mass":340.248,"inchikey":"UAFPUJLUSZBKQB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":340.248,"smiles":"CCCCCC=CC=CCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391052","spectrum_index":801},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-methyl-3-buten-2-ol (known isomers: 1; isobaric peaks: 0)","exact_mass":272.185,"inchikey":"RPUNFTJAHGAWNW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.185,"smiles":"C=CC(C)(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391053","spectrum_index":802},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_behenyl-alcohol (known isomers: 0; isobaric peaks: 0)","exact_mass":512.467,"inchikey":"KIZPPZJWPMMYIJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":512.467,"smiles":"CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391054","spectrum_index":803},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-hexanol (known isomers: 1; isobaric peaks: 2)","exact_mass":288.217,"inchikey":"STZPPPZPQYRSOS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.217,"smiles":"CCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391055","spectrum_index":804},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-hexanol (known isomers: 1; isobaric peaks: 2)","exact_mass":288.217,"inchikey":"STZPPPZPQYRSOS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.217,"smiles":"CCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391056","spectrum_index":805},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-hexanol (known isomers: 1; isobaric peaks: 2)","exact_mass":288.217,"inchikey":"STZPPPZPQYRSOS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.217,"smiles":"CCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391057","spectrum_index":806},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_2-dodecanol (known isomers: 1; isobaric peaks: 0)","exact_mass":372.311,"inchikey":"QUEITRLLTJIZSY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":372.311,"smiles":"CCCCCCCCCCC(C)OC(=O)CC(C[N+](C)(C)C)OC(C)=O","spectrum_id":"CCMSLIB00017391058","spectrum_index":807},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetyl-l-carnitine_3-methyl-2-butaen-1-ol (known isomers: 1; isobaric peaks: 0)","exact_mass":272.185,"inchikey":"LOCKNPXILIALDU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.185,"smiles":"CC(=O)OC(CC(=O)OCC=C(C)C)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391059","spectrum_index":808},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017391060","spectrum_index":809},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017391061","spectrum_index":810},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"DL-1-Methylbutyric acid_Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":245.162708,"inchikey":"IHCPDBBYTYJYIL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":246.17,"smiles":"CCC(C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391062","spectrum_index":811},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycholic-acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":535.387288,"inchikey":"ONBLPXHKFIEOGY-XCGUXAFOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.395,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","spectrum_id":"CCMSLIB00017391063","spectrum_index":812},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Deoxycholic-acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":535.387288,"inchikey":"ONBLPXHKFIEOGY-XCGUXAFOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":536.395,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","spectrum_id":"CCMSLIB00017391064","spectrum_index":813},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017391065","spectrum_index":814},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017391066","spectrum_index":815},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017391067","spectrum_index":816},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_decanoic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":199.193614,"inchikey":"HNXNKTMIVROLTK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":200.201,"smiles":"CCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017391088","spectrum_index":817},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_decanoic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":199.193614,"inchikey":"HNXNKTMIVROLTK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":200.201,"smiles":"CCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017391089","spectrum_index":818},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_L-Aspartyl-L-Phenylalanine (known isomers: 1; isobaric peaks: 0)","exact_mass":307.153206,"inchikey":"KTBPXGUFNJEVBE-RYUDHWBXSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.16,"smiles":"CN(C)C(=O)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O","spectrum_id":"CCMSLIB00017391090","spectrum_index":819},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_octanoic-acid (known isomers: 0; isobaric peaks: 3)","exact_mass":171.162314,"inchikey":"VHRUBWHAOUIMDW-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":172.17,"smiles":"CCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017391092","spectrum_index":820},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_L-Aspartyl-L-Phenylalanine (known isomers: 1; isobaric peaks: 0)","exact_mass":307.153206,"inchikey":"XGKUBZVROYGKIO-RYUDHWBXSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.16,"smiles":"CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O","spectrum_id":"CCMSLIB00017391093","spectrum_index":821},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_10-undecenoic-acid (known isomers: 0; isobaric peaks: 3)","exact_mass":211.193614,"inchikey":"YESMBQASCRWXDF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":212.2,"smiles":"C=CCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017391094","spectrum_index":822},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_10-undecenoic-acid (known isomers: 0; isobaric peaks: 3)","exact_mass":211.193614,"inchikey":"YESMBQASCRWXDF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":212.201,"smiles":"C=CCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017391095","spectrum_index":823},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_10-undecenoic-acid (known isomers: 0; isobaric peaks: 3)","exact_mass":211.193614,"inchikey":"YESMBQASCRWXDF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":212.201,"smiles":"C=CCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017391096","spectrum_index":824},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_undecanoic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":213.209264,"inchikey":"SEOYOGWLQZJPFI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":214.217,"smiles":"CCCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017391097","spectrum_index":825},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_undecanoic-acid (known isomers: 0; isobaric peaks: 2)","exact_mass":213.209264,"inchikey":"SEOYOGWLQZJPFI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":214.217,"smiles":"CCCCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017391098","spectrum_index":826},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_9-decenoic-acid (known isomers: 0; isobaric peaks: 3)","exact_mass":197.177964,"inchikey":"TZTFSSQVWNZQQA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.186,"smiles":"C=CCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017391099","spectrum_index":827},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_9-decenoic-acid (known isomers: 0; isobaric peaks: 3)","exact_mass":197.177964,"inchikey":"TZTFSSQVWNZQQA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.186,"smiles":"C=CCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017391100","spectrum_index":828},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Acetyl-L-Carnitine_9-decenoic-acid (known isomers: 0; isobaric peaks: 3)","exact_mass":197.177964,"inchikey":"TZTFSSQVWNZQQA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":198.186,"smiles":"C=CCCCCCCCC(=O)N(C)C","spectrum_id":"CCMSLIB00017391101","spectrum_index":829},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017391102","spectrum_index":830},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017391103","spectrum_index":831},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3?-OH-12-oxo-s?-cholan-24-oic acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":533.371638,"inchikey":"RURIMIWBCCMJMJ-MLLLLDSBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":534.379,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C","spectrum_id":"CCMSLIB00017391104","spectrum_index":832},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"3?-OH-12-oxo-s?-cholan-24-oic acid_Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":533.371638,"inchikey":"RURIMIWBCCMJMJ-MLLLLDSBSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":534.379,"smiles":"C[C@H](CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C","spectrum_id":"CCMSLIB00017391105","spectrum_index":833},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017391106","spectrum_index":834},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dopamine_sebacic-acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":364.236208,"inchikey":"GHXNVAZYEIFDLA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.243,"smiles":"CN(C)C(=O)CCCCCCCCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391107","spectrum_index":835},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dopamine_sebacic-acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)","exact_mass":364.236208,"inchikey":"GHXNVAZYEIFDLA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":365.242,"smiles":"CN(C)C(=O)CCCCCCCCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391108","spectrum_index":836},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dopamine_2-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":308.173607,"inchikey":"JXSANWQFQLSRFM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.18,"smiles":"CC(CCC(=O)NCCc1ccc(O)c(O)c1)C(=O)N(C)C","spectrum_id":"CCMSLIB00017391109","spectrum_index":837},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dopamine_adipic acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":308.173607,"inchikey":"RJQSMHVXOTVHFK-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.18,"smiles":"CN(C)C(=O)CCCCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391110","spectrum_index":838},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dopamine_pimelic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":322.189257,"inchikey":"UXBCWOXWTPXDHF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":323.196,"smiles":"CN(C)C(=O)CCCCCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391111","spectrum_index":839},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dopamine_3-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":308.173607,"inchikey":"WRZSNQLTIZLBIF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.18,"smiles":"CC(CC(=O)NCCc1ccc(O)c(O)c1)CC(=O)N(C)C","spectrum_id":"CCMSLIB00017391112","spectrum_index":840},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dopamine_mesaconic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":406.283158,"inchikey":"JVQSQRJEUDYJAF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.29,"smiles":"CN(C)C(=O)CCCCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391113","spectrum_index":841},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dopamine_mesaconic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":406.283158,"inchikey":"JVQSQRJEUDYJAF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":407.29,"smiles":"CN(C)C(=O)CCCCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391114","spectrum_index":842},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dopamine_hex-3-enedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 3)","exact_mass":306.157957,"inchikey":"JTVXOHZWKNKVLN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":307.165,"smiles":"CN(C)C(=O)CC=CCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391115","spectrum_index":843},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dopamine_2-methylglutaric acid_Acetyl-L-Carnitine (known isomers: 3; isobaric peaks: 1)","exact_mass":308.173607,"inchikey":"JZBSTOKFECKNLL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":309.18,"smiles":"CC(CCC(=O)N(C)C)C(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391116","spectrum_index":844},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dopamine_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":392.267508,"inchikey":"ZZCYSSYFIYTCBR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.274,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391117","spectrum_index":845},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dopamine_dodecanedioic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":392.267508,"inchikey":"ZZCYSSYFIYTCBR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.275,"smiles":"CN(C)C(=O)CCCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391118","spectrum_index":846},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Dopamine_1,11-undecanedicarboxylic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)\"","exact_mass":378.251858,"inchikey":"WFMKJVZCRHIRSP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.259,"smiles":"CN(C)C(=O)CCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391119","spectrum_index":847},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Dopamine_1,11-undecanedicarboxylic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)\"","exact_mass":378.251858,"inchikey":"WFMKJVZCRHIRSP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.259,"smiles":"CN(C)C(=O)CCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391120","spectrum_index":848},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"Dopamine_1,11-undecanedicarboxylic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 2)\"","exact_mass":378.251858,"inchikey":"WFMKJVZCRHIRSP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":379.26,"smiles":"CN(C)C(=O)CCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391121","spectrum_index":849},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dopamine_azelic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":350.220557,"inchikey":"FXGWNUNCPAVPRC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":351.227,"smiles":"CN(C)C(=O)CCCCCCCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391122","spectrum_index":850},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dopamine_azelic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 1)","exact_mass":350.220557,"inchikey":"FXGWNUNCPAVPRC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":373.209,"smiles":"CN(C)C(=O)CCCCCCCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391123","spectrum_index":851},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Dopamine_suberic acid_Acetyl-L-Carnitine (known isomers: 0; isobaric peaks: 0)","exact_mass":336.204907,"inchikey":"BVULXYXBCJSRGY-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":337.211,"smiles":"CN(C)C(=O)CCCCCCC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391124","spectrum_index":852},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5-Aminosalicylic acid_Carnitine (known isomers: 0; isobaric peaks in run: 1)","exact_mass":296.137222,"inchikey":"YBPHRHLKOCIPQS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.144,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)c1cc(N)ccc1O","spectrum_id":"CCMSLIB00017391133","spectrum_index":853},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"5-Aminosalicylic acid_Carnitine (known isomers: 0; isobaric peaks in run: 1)","exact_mass":296.137222,"inchikey":"YBPHRHLKOCIPQS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.143,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])OC(=O)c1cc(N)ccc1O","spectrum_id":"CCMSLIB00017391134","spectrum_index":854},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_dopamine hydrochloride (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":297.18,"inchikey":"TXTACWZXEOZVLK-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.18,"smiles":"C[N+](C)(C)CC(O)CC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391159","spectrum_index":855},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Tomatidine (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":559.446,"inchikey":"NXQJQXUMKOXVKW-IXJIZKEYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":559.446,"smiles":"C[C@H]1CC[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)N(C(=O)CC(O)C[N+](C)(C)C)C1","spectrum_id":"CCMSLIB00017391160","spectrum_index":856},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Lactitiol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"GTVBZSBQFGSRNQ-OTLGVGKASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@H]1[C@H](O[C@@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)O[C@H](CO)[C@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00017391165","spectrum_index":857},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"DEKQVBFUGFOXEI-KZCVHILLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)O[C@@H]1CO","spectrum_id":"CCMSLIB00017391166","spectrum_index":858},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Maltitol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"HDQYLOUYVRULIT-ZUGFERBSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)OC[C@H]1O[C@H](O[C@@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00017391169","spectrum_index":859},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Maltitol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"IVPSHHRVVKPMQS-DNEBCTRCSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)OC[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO","spectrum_id":"CCMSLIB00017391170","spectrum_index":860},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"WZAWRZLQQBVXFM-GIBGZNBZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00017391171","spectrum_index":861},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"ZFBAOGFLLMLWOH-HWYCKQPKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00017391172","spectrum_index":862},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"NWLZFRUNHDKYSH-FOWKKETOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00017391173","spectrum_index":863},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"ZGLKBZNBHUCTCL-GIBGZNBZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@@H]([C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CO","spectrum_id":"CCMSLIB00017391174","spectrum_index":864},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Maltitol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"ITZBPNDXGGNSCZ-GHJYUSAQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)O[C@@H]1CO","spectrum_id":"CCMSLIB00017391175","spectrum_index":865},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Maltitol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"GQBGADNINFVKAB-KMYHVFCZSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@@H]([C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO)[C@@H](O)CO","spectrum_id":"CCMSLIB00017391177","spectrum_index":866},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"TVJJBAAQHOFWII-HWYCKQPKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H](O)CO","spectrum_id":"CCMSLIB00017391178","spectrum_index":867},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Lactitiol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"ITZBPNDXGGNSCZ-RGXUEVGASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)O[C@@H]1CO","spectrum_id":"CCMSLIB00017391179","spectrum_index":868},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Lactitiol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"LWDJRMHRUZPCSW-OTLGVGKASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@H](CO)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO","spectrum_id":"CCMSLIB00017391180","spectrum_index":869},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Lactitiol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"WAOXDJVYFBQJPM-JCBZODONSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)[C@@H]1O","spectrum_id":"CCMSLIB00017391181","spectrum_index":870},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Maltitol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"GTVBZSBQFGSRNQ-ZUGFERBSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@H]1[C@@H](O[C@@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00017391182","spectrum_index":871},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"WSVDIXHEMJIUOB-HWYCKQPKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@H]1[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00017391183","spectrum_index":872},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"TVJJBAAQHOFWII-FOWKKETOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@@H](O)CO","spectrum_id":"CCMSLIB00017391184","spectrum_index":873},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"NWLZFRUNHDKYSH-HWYCKQPKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00017391185","spectrum_index":874},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Ethylvanillin (known structural isomers: 1; isobaric peaks in run: 2)","exact_mass":310.164,"inchikey":"UGCJMKHAFJFQQO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.164,"smiles":"CCOc1cc(C=O)ccc1OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391188","spectrum_index":875},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Carnitine (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":305.206,"inchikey":"ONEARLPYQLLIBG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":305.206,"smiles":"C[N+](C)(C)CC(O)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391191","spectrum_index":876},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"ZGLKBZNBHUCTCL-GSFRBPSCSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@@H]([C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO","spectrum_id":"CCMSLIB00017391194","spectrum_index":877},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"UICLUPNMBDSFKJ-BYLCTVQLSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00017391195","spectrum_index":878},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"ZFBAOGFLLMLWOH-FOWKKETOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)[C@H](O)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00017391196","spectrum_index":879},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Lactitiol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"HDQYLOUYVRULIT-OTLGVGKASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)OC[C@H]1O[C@@H](O[C@@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)[C@H](O)[C@@H](O)[C@H]1O","spectrum_id":"CCMSLIB00017391198","spectrum_index":880},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Lactitiol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"IVPSHHRVVKPMQS-UEOPXXLPSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO","spectrum_id":"CCMSLIB00017391199","spectrum_index":881},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"NELIENIDKFZHIX-SHBVVLFCSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@@H]1[C@@H](O)[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O[C@H](CO)[C@H]1O","spectrum_id":"CCMSLIB00017391200","spectrum_index":882},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Lactitiol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"AODHCNNICZGNJX-OTLGVGKASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO","spectrum_id":"CCMSLIB00017391201","spectrum_index":883},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Maltitol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"BOYQZWUVODNZHD-IHYZLJSISA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@@H](CO)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO","spectrum_id":"CCMSLIB00017391203","spectrum_index":884},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Lactitiol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"GQBGADNINFVKAB-PPNKJDJTSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@@H]([C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO)[C@@H](O)CO","spectrum_id":"CCMSLIB00017391207","spectrum_index":885},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"DEKQVBFUGFOXEI-BIMZKKIQSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O[C@@H]1CO","spectrum_id":"CCMSLIB00017391208","spectrum_index":886},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Maltitol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"LWDJRMHRUZPCSW-ZUGFERBSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@H](CO)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO","spectrum_id":"CCMSLIB00017391209","spectrum_index":887},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"NELIENIDKFZHIX-RGXUEVGASA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@@H]1[C@@H](O)[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)O[C@H](CO)[C@H]1O","spectrum_id":"CCMSLIB00017391210","spectrum_index":888},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Maltitol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"WAOXDJVYFBQJPM-PEBVQPJWSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)O[C@H](CO)[C@H]1O","spectrum_id":"CCMSLIB00017391211","spectrum_index":889},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Maltitol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"AODHCNNICZGNJX-ZUGFERBSSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO","spectrum_id":"CCMSLIB00017391212","spectrum_index":890},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"WSVDIXHEMJIUOB-FOWKKETOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@H]1[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O","spectrum_id":"CCMSLIB00017391213","spectrum_index":891},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"UICLUPNMBDSFKJ-HWYCKQPKSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00017391214","spectrum_index":892},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Isomalt (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"WZAWRZLQQBVXFM-GSFRBPSCSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","spectrum_id":"CCMSLIB00017391216","spectrum_index":893},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Lactitiol (known structural isomers: 35; isobaric peaks in run: 0)","exact_mass":488.23,"inchikey":"BOYQZWUVODNZHD-AKQORCIVSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":488.23,"smiles":"C[N+](C)(C)CC(O)CC(=O)O[C@@H](CO)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO","spectrum_id":"CCMSLIB00017391217","spectrum_index":894},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":162.112,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017391220","spectrum_index":895},{"adduct":"[M+Na]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"Carnitine (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":161.105193,"inchikey":"PHIQHXFUZVPYII-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":184.094,"smiles":"C[N+](C)(C)CC(CC(=O)[O-])O","spectrum_id":"CCMSLIB00017391221","spectrum_index":896},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_4-hydroxybenzaldehyde (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":256.154,"inchikey":"OITPLOFSDXQANJ-UHYUDDSYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":256.154,"smiles":"C/C(C=O)=C\\C=COC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391222","spectrum_index":897},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_5-nonanol (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":288.253,"inchikey":"LCTIQUGBCUEYBP-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.253,"smiles":"CCCCC(CCCC)OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391223","spectrum_index":898},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_syringaldehyde (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":326.159,"inchikey":"MTXPCTLEMMCLBR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":326.159,"smiles":"COc1cc(C=O)cc(OC)c1OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391224","spectrum_index":899},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_3-hydroxybenzaldehyde (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":266.138,"inchikey":"AFDJPBBXJMMDGH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":266.138,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1cccc(C=O)c1","spectrum_id":"CCMSLIB00017391225","spectrum_index":900},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_(R)-(-)-methyl mandelate (known structural isomers: 1; isobaric peaks in run: 2)","exact_mass":310.164,"inchikey":"NMYLAKIZGZFQQL-AWKYBWMHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.164,"smiles":"COC(=O)[C@H](OC(=O)CC(O)C[N+](C)(C)C)c1ccccc1","spectrum_id":"CCMSLIB00017391227","spectrum_index":901},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_(R)-(-)-methyl mandelate (known structural isomers: 1; isobaric peaks in run: 2)","exact_mass":310.164,"inchikey":"NMYLAKIZGZFQQL-AWKYBWMHSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.164,"smiles":"COC(=O)[C@H](OC(=O)CC(O)C[N+](C)(C)C)c1ccccc1","spectrum_id":"CCMSLIB00017391228","spectrum_index":902},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_methyl 4-hydroxyphenylacetate (known structural isomers: 1; isobaric peaks in run: 2)","exact_mass":310.164,"inchikey":"CHZKUTGFAAZMIG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.164,"smiles":"COC(=O)Cc1ccc(OC(=O)CC(O)C[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017391229","spectrum_index":903},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_methyl 4-hydroxyphenylacetate (known structural isomers: 1; isobaric peaks in run: 2)","exact_mass":310.164,"inchikey":"CHZKUTGFAAZMIG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":310.164,"smiles":"COC(=O)Cc1ccc(OC(=O)CC(O)C[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017391230","spectrum_index":904},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-nonanol (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":288.253,"inchikey":"NOCCNCZWORTBED-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":288.253,"smiles":"CCCCCCCC(C)OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391231","spectrum_index":905},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_2,6-di-tert-butyl-4-methylphenol (known structural isomers: 0; isobaric peaks in run: 0)\"","exact_mass":364.284,"inchikey":"BAXIBLUSOYGPSM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.284,"smiles":"Cc1cc(C(C)(C)C)c(OC(=O)CC(O)C[N+](C)(C)C)c(C(C)(C)C)c1","spectrum_id":"CCMSLIB00017391232","spectrum_index":906},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_3-methylthio-1-propylamine (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":249.162,"inchikey":"IXPAWMXTUJRZPR-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":249.162,"smiles":"CSCCCNC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391235","spectrum_index":907},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_4-aminobutanamide (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":246.181,"inchikey":"COKAYALNQXNDHW-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":246.181,"smiles":"C[N+](C)(C)CC(O)CC(=O)NC(=O)CCCN","spectrum_id":"CCMSLIB00017391236","spectrum_index":908},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_4-aminobutanamide (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":246.181,"inchikey":"OVKRUMHPJSAPOJ-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":246.181,"smiles":"C[N+](C)(C)CC(O)CC(=O)NCCCC(N)=O","spectrum_id":"CCMSLIB00017391239","spectrum_index":909},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_phenylethylamine (known structural isomers: 0; isobaric peaks in run: 1)","exact_mass":265.19,"inchikey":"RJIBWACXHIRVMW-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":265.19,"smiles":"C[N+](C)(C)CC(O)CC(=O)NCCc1ccccc1","spectrum_id":"CCMSLIB00017391240","spectrum_index":910},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-methylbutylamine (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":231.206,"inchikey":"LNUMZEZNZFXUHD-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":231.206,"smiles":"CCC(C)CNC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391241","spectrum_index":911},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_dopamine (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":297.18,"inchikey":"TXTACWZXEOZVLK-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":297.18,"smiles":"C[N+](C)(C)CC(O)CC(=O)NCCc1ccc(O)c(O)c1","spectrum_id":"CCMSLIB00017391242","spectrum_index":912},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_heptanol (known structural isomers: 1; isobaric peaks in run: 1)","exact_mass":260.222,"inchikey":"UCNFFAGPLVZZJU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":260.222,"smiles":"CCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391315","spectrum_index":913},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_heptanol (known structural isomers: 1; isobaric peaks in run: 1)","exact_mass":260.222,"inchikey":"UCNFFAGPLVZZJU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":260.222,"smiles":"CCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391316","spectrum_index":914},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_behenyl-alcohol (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":470.456,"inchikey":"NCIIJIFSMOZIEE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":470.456,"smiles":"CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391317","spectrum_index":915},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_1-pentanol (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":232.19,"inchikey":"AGQRPONHADQAIS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":232.19,"smiles":"CCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391318","spectrum_index":916},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-heptanol (known structural isomers: 1; isobaric peaks in run: 1)","exact_mass":260.222,"inchikey":"YXIKCIMMKFCLEN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":260.222,"smiles":"CCCCCC(C)OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391319","spectrum_index":917},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-heptanol (known structural isomers: 1; isobaric peaks in run: 1)","exact_mass":260.222,"inchikey":"YXIKCIMMKFCLEN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":260.222,"smiles":"CCCCCC(C)OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391320","spectrum_index":918},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-decanol (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":302.268,"inchikey":"PWEWMWIECDCASR-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.268,"smiles":"CCCCCCCCC(C)OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391321","spectrum_index":919},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-hexanol (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":246.206,"inchikey":"MNPWPMNRNQXEHA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":246.206,"smiles":"CCCCC(C)OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391322","spectrum_index":920},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-methyl-3-pentanol (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":246.206,"inchikey":"MHGXNBQUPOKECZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":246.206,"smiles":"CCC(OC(=O)CC(O)C[N+](C)(C)C)C(C)C","spectrum_id":"CCMSLIB00017391323","spectrum_index":921},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_2,4-decadien-1-ol (known structural isomers: 0; isobaric peaks in run: 0)\"","exact_mass":298.237,"inchikey":"QCMDSHPUUYIWKD-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":298.237,"smiles":"CCCCCC=CC=CCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391324","spectrum_index":922},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-dodecanol (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":330.299,"inchikey":"BNXGINQPGWDDML-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.299,"smiles":"CCCCCCCCCCC(C)OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391325","spectrum_index":923},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_3-methyl-2-butaen-1-ol (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":230.174,"inchikey":"JELYLSCDJLWTJF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.174,"smiles":"CC(C)=CCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391326","spectrum_index":924},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_2-butene-1,4-diol (known structural isomers: 0; isobaric peaks in run: 0)\"","exact_mass":232.154,"inchikey":"TWDBIPQXYMUEON-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":232.154,"smiles":"C[N+](C)(C)CC(O)CC(=O)OCC=CCO","spectrum_id":"CCMSLIB00017391327","spectrum_index":925},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-methyl-3-buten-2-ol (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":230.174,"inchikey":"ZZJPJQCXFPWFTB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":230.174,"smiles":"C=CC(C)(C)OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391328","spectrum_index":926},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-ethylphenol (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":266.174,"inchikey":"PWMWEDFVVCVCKE-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":266.174,"smiles":"CCc1ccccc1OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391329","spectrum_index":927},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_lauryl-alcohol (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":330.299,"inchikey":"SGWIISALSQKWPF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":330.299,"smiles":"CCCCCCCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391330","spectrum_index":928},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_3-methyl-2-butanol (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":232.19,"inchikey":"LFIZFSHOLCGBJG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":232.19,"smiles":"CC(C)C(C)OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391331","spectrum_index":929},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_5-hexen-1-ol (known structural isomers: 0; isobaric peaks in run: 1)","exact_mass":244.19,"inchikey":"GFDAZLNGIUORRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.19,"smiles":"C=CCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391409","spectrum_index":930},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_5-hexen-1-ol (known structural isomers: 0; isobaric peaks in run: 1)","exact_mass":244.19,"inchikey":"GFDAZLNGIUORRO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":244.19,"smiles":"C=CCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391410","spectrum_index":931},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_7-hydroxycoumarine (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":306.132,"inchikey":"WERSWGHPBXSHMN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":306.132,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1ccc2ccc(=O)oc2c1","spectrum_id":"CCMSLIB00017391411","spectrum_index":932},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_5-hexyn-1-ol (known structural isomers: 0; isobaric peaks in run: 2)","exact_mass":242.174,"inchikey":"OHLOZQCTRNWDON-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":242.174,"smiles":"C#CCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391412","spectrum_index":933},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_5-hexyn-1-ol (known structural isomers: 0; isobaric peaks in run: 2)","exact_mass":242.175,"inchikey":"OHLOZQCTRNWDON-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":242.175,"smiles":"C#CCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391413","spectrum_index":934},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_5-hexyn-1-ol (known structural isomers: 0; isobaric peaks in run: 2)","exact_mass":242.174,"inchikey":"OHLOZQCTRNWDON-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":242.174,"smiles":"C#CCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391414","spectrum_index":935},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_L-menthol (known structural isomers: 1; isobaric peaks in run: 5)","exact_mass":300.252,"inchikey":"YMLCJFCPXSPQMG-HEWHGDCOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.252,"smiles":"CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391415","spectrum_index":936},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_L-menthol (known structural isomers: 1; isobaric peaks in run: 5)","exact_mass":300.253,"inchikey":"YMLCJFCPXSPQMG-HEWHGDCOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.253,"smiles":"CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391416","spectrum_index":937},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_L-menthol (known structural isomers: 1; isobaric peaks in run: 5)","exact_mass":300.253,"inchikey":"YMLCJFCPXSPQMG-HEWHGDCOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.253,"smiles":"CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391417","spectrum_index":938},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_L-menthol (known structural isomers: 1; isobaric peaks in run: 5)","exact_mass":300.253,"inchikey":"YMLCJFCPXSPQMG-HEWHGDCOSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.253,"smiles":"CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391418","spectrum_index":939},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_3-buten-1-ol (known structural isomers: 2; isobaric peaks in run: 0)","exact_mass":216.159,"inchikey":"GLUZXHMTDZJTFA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.159,"smiles":"C=CCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391419","spectrum_index":940},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_1-decanol (known structural isomers: 0; isobaric peaks in run: 1)","exact_mass":302.268,"inchikey":"CWFYAOCTRNIWKC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.268,"smiles":"CCCCCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391420","spectrum_index":941},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_1-decanol (known structural isomers: 0; isobaric peaks in run: 1)","exact_mass":302.268,"inchikey":"CWFYAOCTRNIWKC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":302.268,"smiles":"CCCCCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391421","spectrum_index":942},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_1-pentadecanol (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":372.346,"inchikey":"QEVFBGUISGFNIC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":372.346,"smiles":"CCCCCCCCCCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391422","spectrum_index":943},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-methylpyrimidin-5-ol (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":254.149,"inchikey":"LJTYVIVYRBNOFA-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":254.149,"smiles":"Cc1ncc(OC(=O)CC(O)C[N+](C)(C)C)cn1","spectrum_id":"CCMSLIB00017391423","spectrum_index":944},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_furfuryl-alcohol (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":242.138,"inchikey":"MJCVZMSYDFPVLC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":242.138,"smiles":"C[N+](C)(C)CC(O)CC(=O)OCc1ccco1","spectrum_id":"CCMSLIB00017391424","spectrum_index":945},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_7-bromo-2-naphthol (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":366.069,"inchikey":"MKTKYILWBRWWQF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.069,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1ccc2ccc(Br)cc2c1","spectrum_id":"CCMSLIB00017391425","spectrum_index":946},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_4-bromophenol (known structural isomers: 2; isobaric peaks in run: 1)","exact_mass":316.053,"inchikey":"VTZKIZRCEYWIHV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.053,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1ccc(Br)cc1","spectrum_id":"CCMSLIB00017391426","spectrum_index":947},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_4-bromophenol (known structural isomers: 2; isobaric peaks in run: 1)","exact_mass":316.053,"inchikey":"VTZKIZRCEYWIHV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.053,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1ccc(Br)cc1","spectrum_id":"CCMSLIB00017391427","spectrum_index":948},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_3-bromophenol (known structural isomers: 2; isobaric peaks in run: 1)","exact_mass":316.053,"inchikey":"GMMPCKGPTHILKB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.053,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1cccc(Br)c1","spectrum_id":"CCMSLIB00017391428","spectrum_index":949},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_3-bromophenol (known structural isomers: 2; isobaric peaks in run: 1)","exact_mass":316.053,"inchikey":"GMMPCKGPTHILKB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.053,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1cccc(Br)c1","spectrum_id":"CCMSLIB00017391429","spectrum_index":950},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-buten-1-ol (known structural isomers: 2; isobaric peaks in run: 0)","exact_mass":216.159,"inchikey":"IMIIAWWGRTUSBO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.159,"smiles":"CC=CCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391430","spectrum_index":951},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_4-fluoroatechol (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":272.128,"inchikey":"YNSMVUXTUKDACX-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.128,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1cc(F)ccc1O","spectrum_id":"CCMSLIB00017391431","spectrum_index":952},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_4-methylbenzyl-alcohol (known structural isomers: 0; isobaric peaks in run: 2)","exact_mass":266.174,"inchikey":"PQCQLMRTGKAIIB-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":266.174,"smiles":"Cc1ccc(COC(=O)CC(O)C[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017391432","spectrum_index":953},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_4-iodophenol (known structural isomers: 1; isobaric peaks in run: 1)","exact_mass":364.039,"inchikey":"UKXYUSZVGDPVPC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.039,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1ccc(I)cc1","spectrum_id":"CCMSLIB00017391433","spectrum_index":954},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_4-iodophenol (known structural isomers: 1; isobaric peaks in run: 1)","exact_mass":364.039,"inchikey":"UKXYUSZVGDPVPC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.039,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1ccc(I)cc1","spectrum_id":"CCMSLIB00017391434","spectrum_index":955},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-iodophenol (known structural isomers: 1; isobaric peaks in run: 1)","exact_mass":364.039,"inchikey":"HAPFXQGRYIXDFS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.039,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1ccccc1I","spectrum_id":"CCMSLIB00017391435","spectrum_index":956},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-iodophenol (known structural isomers: 1; isobaric peaks in run: 1)","exact_mass":364.039,"inchikey":"HAPFXQGRYIXDFS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":364.039,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1ccccc1I","spectrum_id":"CCMSLIB00017391436","spectrum_index":957},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-bromophenol (known structural isomers: 2; isobaric peaks in run: 1)","exact_mass":316.053,"inchikey":"ZHJYZELIDPDOES-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.053,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1ccccc1Br","spectrum_id":"CCMSLIB00017391437","spectrum_index":958},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-bromophenol (known structural isomers: 2; isobaric peaks in run: 1)","exact_mass":316.053,"inchikey":"ZHJYZELIDPDOES-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":316.053,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1ccccc1Br","spectrum_id":"CCMSLIB00017391438","spectrum_index":959},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-[2-(2-chloroethoxy)-ethoxy]ethanol (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":312.157,"inchikey":"KYBPYBUTWPAVHL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":312.157,"smiles":"C[N+](C)(C)CC(O)CC(=O)OCCOCCOCCCl","spectrum_id":"CCMSLIB00017391439","spectrum_index":960},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_4-fluoroatechol (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":272.128,"inchikey":"OYOVJFIBMNZKHT-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":272.128,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1ccc(F)cc1O","spectrum_id":"CCMSLIB00017391440","spectrum_index":961},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_Phenol (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":238.143,"inchikey":"KRKMVXCIQWRIPF-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":238.143,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1ccccc1","spectrum_id":"CCMSLIB00017391441","spectrum_index":962},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_2,3-pinanediol (known structural isomers: 1; isobaric peaks in run: 0)\"","exact_mass":314.232,"inchikey":"XSKAURLCVPWPMU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.232,"smiles":"CC1(C)C2CC(O)C(C)(OC(=O)CC(O)C[N+](C)(C)C)C1C2","spectrum_id":"CCMSLIB00017391442","spectrum_index":963},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_2-fluorophenol (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":256.134,"inchikey":"LIHLFZHSKXZAGJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":256.134,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1ccccc1F","spectrum_id":"CCMSLIB00017391443","spectrum_index":964},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_2,3-dichlorophenol (known structural isomers: 0; isobaric peaks in run: 0)\"","exact_mass":306.065,"inchikey":"GWEHSPKRFDFNMX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":306.065,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1cccc(Cl)c1Cl","spectrum_id":"CCMSLIB00017391444","spectrum_index":965},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_1,5-pentanediol (known structural isomers: 0; isobaric peaks in run: 0)\"","exact_mass":248.185,"inchikey":"NKEJHYCBUCKJQJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":248.185,"smiles":"C[N+](C)(C)CC(O)CC(=O)OCCCCCO","spectrum_id":"CCMSLIB00017391445","spectrum_index":966},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_4-bromo-2,6-di-tert-butylphenol (known structural isomers: 0; isobaric peaks in run: 0)\"","exact_mass":428.179,"inchikey":"VLUVQTMMDCNJRJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":428.179,"smiles":"CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391446","spectrum_index":967},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_2,4-dibromophenol (known structural isomers: 1; isobaric peaks in run: 1)\"","exact_mass":393.964,"inchikey":"SUFCJCBIQXYSFN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.964,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1ccc(Br)cc1Br","spectrum_id":"CCMSLIB00017391447","spectrum_index":968},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_1-tetradecanol (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":358.331,"inchikey":"BVJWXVXWIYEHBH-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":358.331,"smiles":"CCCCCCCCCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391448","spectrum_index":969},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_heptanol (known structural isomers: 0; isobaric peaks in run: 2)","exact_mass":260.221,"inchikey":"UCNFFAGPLVZZJU-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":260.221,"smiles":"CCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391449","spectrum_index":970},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_4-fluorophenol (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":256.134,"inchikey":"OFKQZXDVAZOHBT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":256.134,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1ccc(F)cc1","spectrum_id":"CCMSLIB00017391450","spectrum_index":971},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_1,10-decandiol (known structural isomers: 0; isobaric peaks in run: 1)\"","exact_mass":318.263,"inchikey":"JSNYJDBWNILWML-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.263,"smiles":"C[N+](C)(C)CC(O)CC(=O)OCCCCCCCCCCO","spectrum_id":"CCMSLIB00017391451","spectrum_index":972},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_1,10-decandiol (known structural isomers: 0; isobaric peaks in run: 1)\"","exact_mass":318.263,"inchikey":"JSNYJDBWNILWML-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":318.263,"smiles":"C[N+](C)(C)CC(O)CC(=O)OCCCCCCCCCCO","spectrum_id":"CCMSLIB00017391452","spectrum_index":973},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_5-iodovanillin (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":422.045,"inchikey":"FCTCICAPFKQVAZ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":422.045,"smiles":"COc1cc(C=O)cc(I)c1OC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391453","spectrum_index":974},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_8-chloro-1-octanol (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":308.198,"inchikey":"PVFYYPCKGCELLI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":308.198,"smiles":"C[N+](C)(C)CC(O)CC(=O)OCCCCCCCCCl","spectrum_id":"CCMSLIB00017391454","spectrum_index":975},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_(S)-pyrrolodine-2-ylmethanol (known structural isomers: 1; isobaric peaks in run: 1)","exact_mass":245.185,"inchikey":"HOQUXPLERFCHOC-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.185,"smiles":"C[N+](C)(C)CC(O)CC(=O)OCC1CCCN1","spectrum_id":"CCMSLIB00017391455","spectrum_index":976},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_1,9-nonanediol (known structural isomers: 0; isobaric peaks in run: 2)\"","exact_mass":304.247,"inchikey":"DFALUUQOSVUFEM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":304.247,"smiles":"C[N+](C)(C)CC(O)CC(=O)OCCCCCCCCCO","spectrum_id":"CCMSLIB00017391456","spectrum_index":977},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_1,9-nonanediol (known structural isomers: 0; isobaric peaks in run: 2)\"","exact_mass":304.247,"inchikey":"DFALUUQOSVUFEM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":304.247,"smiles":"C[N+](C)(C)CC(O)CC(=O)OCCCCCCCCCO","spectrum_id":"CCMSLIB00017391457","spectrum_index":978},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_1,9-nonanediol (known structural isomers: 0; isobaric peaks in run: 2)\"","exact_mass":304.247,"inchikey":"DFALUUQOSVUFEM-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":304.247,"smiles":"C[N+](C)(C)CC(O)CC(=O)OCCCCCCCCCO","spectrum_id":"CCMSLIB00017391458","spectrum_index":979},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_methallyl-alcohol (known structural isomers: 2; isobaric peaks in run: 0)","exact_mass":216.159,"inchikey":"HMYIRRGTWFYZJQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":216.159,"smiles":"C=C(C)COC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391459","spectrum_index":980},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_hexafluoro-2-methylisopropanol (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":326.117,"inchikey":"KCPYYYNTSOSSTO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":326.117,"smiles":"CC(OC(=O)CC(O)C[N+](C)(C)C)(C(F)(F)F)C(F)(F)F","spectrum_id":"CCMSLIB00017391460","spectrum_index":981},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_4-methoxybenzyl-alcohol (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":282.169,"inchikey":"HWQYXWJGKLQQAX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":282.169,"smiles":"COc1ccc(COC(=O)CC(O)C[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017391461","spectrum_index":982},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_2,6-dibromophenol (known structural isomers: 1; isobaric peaks in run: 1)\"","exact_mass":393.964,"inchikey":"ORGNRLIZSGDBHX-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":393.964,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1c(Br)cccc1Br","spectrum_id":"CCMSLIB00017391463","spectrum_index":983},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_piperidin-4-ol (known structural isomers: 1; isobaric peaks in run: 1)","exact_mass":245.185,"inchikey":"OPJODJROUXEFKO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":245.185,"smiles":"C[N+](C)(C)CC(O)CC(=O)OC1CCNCC1","spectrum_id":"CCMSLIB00017391464","spectrum_index":984},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_9-decen-1-ol (known structural isomers: 1; isobaric peaks in run: 5)","exact_mass":300.252,"inchikey":"LHYZGFDUMREBDT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.252,"smiles":"C=CCCCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391465","spectrum_index":985},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_9-decen-1-ol (known structural isomers: 1; isobaric peaks in run: 5)","exact_mass":300.253,"inchikey":"LHYZGFDUMREBDT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.253,"smiles":"C=CCCCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391466","spectrum_index":986},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_9-decen-1-ol (known structural isomers: 1; isobaric peaks in run: 5)","exact_mass":300.253,"inchikey":"LHYZGFDUMREBDT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.253,"smiles":"C=CCCCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391467","spectrum_index":987},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_9-decen-1-ol (known structural isomers: 1; isobaric peaks in run: 5)","exact_mass":300.253,"inchikey":"LHYZGFDUMREBDT-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":300.253,"smiles":"C=CCCCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391468","spectrum_index":988},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_1,4-cyclohexanediol (known structural isomers: 0; isobaric peaks in run: 2)\"","exact_mass":260.185,"inchikey":"KCUINGLLXVKKEN-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":260.185,"smiles":"C[N+](C)(C)CC(O)CC(=O)OC1CCC(O)CC1","spectrum_id":"CCMSLIB00017391469","spectrum_index":989},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_3-(1-piperazino)phenol (known structural isomers: 0; isobaric peaks in run: 1)","exact_mass":322.214,"inchikey":"CMQJTVCKYXOTLO-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":322.214,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1cccc(N2CCNCC2)c1","spectrum_id":"CCMSLIB00017391470","spectrum_index":990},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_2,6-difluorophenol (known structural isomers: 0; isobaric peaks in run: 0)\"","exact_mass":274.124,"inchikey":"VVHAHLNNHYVVOL-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.124,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1c(F)cccc1F","spectrum_id":"CCMSLIB00017391471","spectrum_index":991},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_3-methoxy-1-propanol (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":234.169,"inchikey":"KSGNBVNTUWDGRG-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":234.169,"smiles":"COCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391472","spectrum_index":992},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_4-methoxyphenol (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":268.153,"inchikey":"MHCVXVUDROZSNS-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":268.153,"smiles":"COc1ccc(OC(=O)CC(O)C[N+](C)(C)C)cc1","spectrum_id":"CCMSLIB00017391473","spectrum_index":993},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_1-propanol (known structural isomers: 0; isobaric peaks in run: 0)","exact_mass":204.159,"inchikey":"BZCFYUJQQFXVGV-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":204.159,"smiles":"CCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391474","spectrum_index":994},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_octanol (known structural isomers: 0; isobaric peaks in run: 6)","exact_mass":274.237,"inchikey":"XRLHDSPZIQOTFJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.237,"smiles":"CCCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391475","spectrum_index":995},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_octanol (known structural isomers: 0; isobaric peaks in run: 6)","exact_mass":274.237,"inchikey":"XRLHDSPZIQOTFJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.237,"smiles":"CCCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391476","spectrum_index":996},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_octanol (known structural isomers: 0; isobaric peaks in run: 6)","exact_mass":274.237,"inchikey":"XRLHDSPZIQOTFJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.237,"smiles":"CCCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391477","spectrum_index":997},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_octanol (known structural isomers: 0; isobaric peaks in run: 6)","exact_mass":274.237,"inchikey":"XRLHDSPZIQOTFJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":274.237,"smiles":"CCCCCCCCOC(=O)CC(O)C[N+](C)(C)C","spectrum_id":"CCMSLIB00017391478","spectrum_index":998},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"\"carnitine_2,3-pinanediol (known structural isomers: 1; isobaric peaks in run: 0)\"","exact_mass":314.232,"inchikey":"UQUOHWOKBBROLQ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":314.232,"smiles":"CC1(C)C2CC(OC(=O)CC(O)C[N+](C)(C)C)C(C)(O)C1C2","spectrum_id":"CCMSLIB00017391479","spectrum_index":999},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"carnitine_6-bromo-2-naphthol (known structural isomers: 1; isobaric peaks in run: 0)","exact_mass":366.069,"inchikey":"VBOBIRZCOKTDTJ-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.069,"smiles":"C[N+](C)(C)CC(O)CC(=O)Oc1ccc2cc(Br)ccc2c1","spectrum_id":"CCMSLIB00017391480","spectrum_index":1000},{"adduct":"[M+H]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"1-hydroxyIbuprofen_Carnitine (known isomers: 0; isobaric peaks in run: 2)","exact_mass":365.220223,"inchikey":"KYSZEMPFMQOKBI-UHFFFAOYSA-N","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":366.228,"smiles":"CC(C(=O)OC(CC(=O)[O-])C[N+](C)(C)C)c1ccc(C(O)C(C)C)cc1","spectrum_id":"CCMSLIB00017391540","spectrum_index":1001},{"adduct":"[M]+","analyzer":null,"charge":1,"chromatography":null,"compound_name":"acetaminophen_carnitine (known isomers: 0; isobaric peaks in run: 0)","exact_mass":295.165,"inchikey":"MHBOICBMOIIQDD-UHFFFAOYSA-O","instrument":"Orbitrap","instrument_model":null,"instrument_vendor":null,"ion_mode":"Positive","ion_source":"LC-ESI","ionization":null,"precursor_mz":295.165,"smiles":"OC(C[N+](C)(C)C)CC(OC1=CC=C(C=C1)NC(C)=O)=O","spectrum_id":"CCMSLIB00017391544","spectrum_index":1002}]
