MassBank Record: KO000506



 4-Chlorobenzoic 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: KO000506
RECORD_TITLE: 4-Chlorobenzoic 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 155 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-0900000000-f764c8de8a004541cd1e PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 35.000 178218.0 8 53.100 64356.5 3 59.200 450495.5 21 73.200 84158.5 4 79.100 44554.5 2 81.200 9901.0 1 82.700 19802.0 1 95.400 539604.5 26 96.900 108911.0 5 110.000 54455.5 3 111.100 20970318.0 999 119.100 2292081.5 109 154.900 2955448.5 141 //