MassBank Record: KO000483



 2-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: KO000483
RECORD_TITLE: 2-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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 155 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000j-9000000000-a30aa1cb1e7af16b747b PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 35.200 4193073.5 999 57.100 217822.0 52 58.800 381188.5 91 72.900 49505.0 12 74.900 163366.5 39 79.000 128713.0 31 80.100 133663.5 32 81.900 14851.5 4 94.800 198020.0 47 97.000 2287131.0 545 111.000 138614.0 33 119.200 69307.0 17 137.100 14851.5 4 //