MassBank Record: KO000481



 2-Chlorobenzoic 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: KO000481
RECORD_TITLE: 2-Chlorobenzoic 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 C088

CH$NAME: 2-Chlorobenzoate CH$NAME: o-Chlorobenzoic acid CH$NAME: 2-Chlorobenzoic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H5ClO2 CH$EXACT_MASS: 155.99781 CH$SMILES: OC(=O)c(c1)c(Cl)ccc1 CH$IUPAC: InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 118-91-2 CH$LINK: CHEBI 30793 CH$LINK: KEGG C02357 CH$LINK: NIKKAJI J26.900J CH$LINK: PUBCHEM SID:5404
AC$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$FOCUSED_ION: PRECURSOR_M/Z 155 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0bt9-0900000000-fc7699ef129fd93f5386 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 35.200 123762.5 1 52.900 128713.0 1 59.100 811882.0 6 73.300 113861.5 1 75.300 24752.5 1 78.500 34653.5 1 92.600 19802.0 1 95.200 232673.5 2 97.000 1529704.5 11 109.800 34653.5 1 111.000 91133754.5 629 111.800 44554.5 1 116.800 24752.5 1 119.200 2772280.0 19 127.100 19802.0 1 137.000 64356.5 1 155.000 144673412.0 999 172.600 14851.5 1 //