MassBank Record: KO000676



 2,4-Dichlorobenzoic 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: KO000676
RECORD_TITLE: 2,4-Dichlorobenzoic 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a70-9400000000-46cac85b1f6613daaa93 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 35.000 287129.0 783 45.200 128713.0 351 59.300 366337.0 999 89.000 54455.5 149 96.600 29703.0 81 98.800 29703.0 81 100.400 14851.5 41 129.200 262376.5 716 131.000 143564.5 392 143.200 59406.0 162 //