MassBank Record: KO000677



 2,4-Dichlorobenzoic 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: KO000677
RECORD_TITLE: 2,4-Dichlorobenzoic 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 D135

CH$NAME: 2,4-Dichlorobenzoate CH$NAME: 2,4-Dichlorobenzoic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H4Cl2O2 CH$EXACT_MASS: 189.95883 CH$SMILES: OC(=O)c(c1)c(Cl)cc(Cl)c1 CH$IUPAC: InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11) CH$LINK: CAS 50-84-0 CH$LINK: CHEBI 30748 CH$LINK: KEGG C06670 CH$LINK: NIKKAJI J55.459F CH$LINK: PUBCHEM SID:8895
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 189 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4r-9000000000-30e59cdbaeb3318ce2f6 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 35.200 207921.0 912 44.900 24752.5 109 59.000 227723.0 999 96.800 44554.5 195 98.800 9901.0 43 131.200 24752.5 109 //