MassBank Record: KO000675



 2,4-Dichlorobenzoic 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: KO000675
RECORD_TITLE: 2,4-Dichlorobenzoic 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-002b-2900000000-09cb33e48fe5719abb6a PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 35.200 247525.0 123 45.300 227723.0 113 59.000 688119.5 341 88.100 29703.0 15 89.300 34653.5 17 97.300 89109.0 44 98.600 44554.5 22 101.000 24752.5 12 125.100 29703.0 15 129.000 1618813.5 803 131.100 316832.0 157 142.900 440594.5 218 145.100 2014853.5 999 153.400 64356.5 32 157.600 24752.5 12 171.300 34653.5 17 189.000 143564.5 71 //