MassBank Record: KO000381



 Citric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000381
RECORD_TITLE: Citric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID C005

CH$NAME: Citrate CH$NAME: 2-Hydroxytricarballylic acid CH$NAME: 2-Hydroxy-1,2,3-propanetricarboxylic acid CH$NAME: Citric acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H8O7 CH$EXACT_MASS: 192.02700 CH$SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) CH$LINK: CAS 77-92-9 CH$LINK: CHEBI 30769 CH$LINK: CHEMPDB CIT CH$LINK: KEGG C00158 CH$LINK: NIKKAJI J2.824J CH$LINK: PUBCHEM SID:3458
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 191 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-0900000000-a587dddf188152c5d7b0 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 36.900 54455.5 4 44.900 24752.5 2 58.700 24752.5 2 86.800 54455.5 4 93.000 49505.0 4 103.100 54455.5 4 108.700 79208.0 6 110.900 1336635.0 95 128.700 237624.0 17 129.500 29703.0 2 130.800 99010.0 7 144.900 34653.5 2 147.000 133663.5 10 158.000 79208.0 6 173.100 336634.0 24 191.300 13985162.5 999 //