MassBank Record: KO000508



 4-Chlorobenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000508
RECORD_TITLE: 4-Chlorobenzoic acid; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 155 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00kr-9400000000-5d65f2685ec93502e88f PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 35.200 554456.0 999 59.200 64356.5 116 65.000 34653.5 62 79.100 44554.5 80 80.100 138614.0 250 82.200 29703.0 54 91.600 39604.0 71 94.900 59406.0 107 97.400 19802.0 36 111.000 59406.0 107 118.800 381188.5 687 //