MassBank Record: KO000674



 2,4-Dichlorobenzoic 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: KO000674
RECORD_TITLE: 2,4-Dichlorobenzoic 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000j-0900000000-fcc0562abbfdc15539df PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 45.100 217822.0 20 58.800 712872.0 64 72.400 9901.0 1 96.600 94059.5 8 98.700 19802.0 2 128.800 2356438.0 212 143.300 831684.0 75 145.000 10277238.0 925 153.300 74257.5 7 156.200 54455.5 5 157.100 44554.5 4 158.600 24752.5 2 189.000 11099021.0 999 //