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
//