ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002643
RECORD_TITLE: 3,4-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$NAME: 3,4-DICHLOROBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H6Cl2O2
CH$EXACT_MASS: 203.97448
CH$SMILES: COC(=O)c(c1)cc(Cl)c(Cl)c1
CH$IUPAC: InChI=1S/C8H6Cl2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
CH$LINK: INCHIKEY WICGATIORFSOJL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90183290
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$SPLASH: splash10-004j-1930000000-ca6bd6dd0b6297438dd3
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  50 6.9 69
  59 2.5 25
  73 4.3 43
  74 2.52 25
  75 22.3 223
  84 7.6 76
  85 2.9 29
  109 2.49 25
  110 8.4 84
  111 8 80
  145 50.1 501
  146 0.26 3
  147 31.5 315
  149 5.1 51
  169 3.6 36
  173 1.83 18
  174 12.4 124
  175 99.99 999
  176 7.6 76
  177 1.64 16
  186 6.9 69
  203 3.2 32
  204 47.2 472
  205 0.58 6
  206 29.6 296
  207 3.2 32
  208 4.3 43
//
