MassBank Record: JP002645



 2,4-DICHLOROBENZOIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002645
RECORD_TITLE: 2,4-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$NAME: 2,4-DICHLOROBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H6Cl2O2 CH$EXACT_MASS: 203.97448 CH$SMILES: COC(=O)c(c1)c(Cl)cc(Cl)c1 CH$IUPAC: InChI=1S/C8H6Cl2O2/c1-12-8(11)6-3-2-5(9)4-7(6)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$SPLASH: splash10-0zos-6960000000-d6781db43d29f6daf7cb PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 49 4.5 45 50 19 190 51 4.5 45 63 0.45 5 73 9.9 99 74 58 580 75 47.3 473 77 0.45 5 84 13.7 137 85 6.1 61 86 4.5 45 109 5.87 59 110 25.1 251 111 23.6 236 112 6.1 61 145 9.23 92 146 6.8 68 147 61 610 149 6.8 68 173 6.48 65 174 30.5 305 175 40.4 404 176 17.5 175 177 4.12 41 186 8.3 83 203 6.1 61 204 99.99 999 205 1.14 11 206 60.3 603 207 5.3 53 208 9.1 91 //