MassBank Record: KO000384



 Citric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000384
RECORD_TITLE: Citric acid; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 191 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-9100000000-42a125e9128ce21bd785 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 36.900 39604.0 16 39.300 103960.5 41 41.200 237624.0 94 43.100 341584.5 136 57.300 1509902.5 600 59.000 227723.0 90 63.900 49505.0 20 67.100 1539605.5 612 72.800 19802.0 8 85.100 1128714.0 448 87.100 2514854.0 999 111.100 1668318.5 663 //