MassBank Record: KO000507



 4-Chlorobenzoic 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: KO000507
RECORD_TITLE: 4-Chlorobenzoic 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 C104

CH$NAME: 4-Chlorobenzoate CH$NAME: 4-Chlorobenzoic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H5ClO2 CH$EXACT_MASS: 155.99781 CH$SMILES: OC(=O)c(c1)ccc(Cl)c1 CH$IUPAC: InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 74-11-3 CH$LINK: CHEBI 30747 CH$LINK: CHEMPDB 174 CH$LINK: KEGG C02370 CH$LINK: NIKKAJI J5.259K CH$LINK: PUBCHEM SID:5412
AC$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$FOCUSED_ION: PRECURSOR_M/Z 155 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-2900000000-fcefbb15e968ad589407 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 35.000 509901.5 180 59.000 272277.5 96 72.900 39604.0 14 79.000 34653.5 12 80.100 59406.0 21 95.200 242574.5 85 97.300 69307.0 24 110.000 29703.0 10 111.000 2836636.5 999 118.800 1024753.5 361 //