MassBank Record: KO000382



 Citric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000382
RECORD_TITLE: Citric acid; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 191 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-3900000000-7170fdcb9749e6d6c2fb PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 37.100 39604.0 2 57.000 306931.0 14 59.400 123762.5 6 67.300 64356.5 3 85.200 4727727.5 218 87.100 5396045.0 249 99.100 14851.5 1 101.000 366337.0 17 102.900 39604.0 2 108.900 178218.0 8 109.500 34653.5 2 111.100 21623784.0 999 129.000 1465348.0 68 130.700 465347.0 21 146.900 143564.5 7 154.900 178218.0 8 173.100 326733.0 15 191.100 2480200.5 115 //