MassBank Record: KO000383



 Citric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000383
RECORD_TITLE: Citric acid; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 191 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-01p9-9500000000-9a502981b0a9e1ea35ad PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 37.100 49505.0 5 41.200 173267.5 16 43.100 247525.0 23 57.100 1143565.5 109 59.100 123762.5 12 63.900 69307.0 7 67.200 1287130.0 122 85.100 5178223.0 492 87.100 8900999.0 845 103.200 89109.0 8 111.100 10524763.0 999 129.200 163366.5 16 148.200 24752.5 2 154.600 29703.0 3 //