MassBank Record: JP002644



 2,6-DICHLOROBENZOIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002644
RECORD_TITLE: 2,6-DICHLOROBENZOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 2,6-DICHLOROBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H6Cl2O2 CH$EXACT_MASS: 203.97448 CH$SMILES: COC(=O)c(c(Cl)1)c(Cl)ccc1 CH$IUPAC: InChI=1S/C8H6Cl2O2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
AC$INSTRUMENT: JEOL JMS-01-SG AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00fr-2920000000-43bd32b64f2edfeaeb24 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 45 2.6 26 50 4.9 49 51 2.6 26 63 0.26 3 73 4.4 44 74 22.4 224 75 22.4 224 84 0.78 8 85 4.2 42 86 2 20 109 28.5 285 110 0.96 10 111 10.5 105 112 2.2 22 126 2 20 145 3.91 39 146 2.4 24 147 23.8 238 149 3.1 31 173 99.99 999 174 16.1 161 175 84.9 849 176 11.6 116 177 2.42 24 186 3.5 35 204 52.8 528 205 3.8 38 206 3.43 34 207 2.6 26 208 4.7 47 //