ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002641
RECORD_TITLE: 3,5-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$NAME: 3,5-DICHLOROBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₆Cl₂O₂
CH$EXACT_MASS: 203.97448
CH$SMILES: COC(=O)c(c1)cc(Cl)cc(Cl)1
CH$IUPAC: InChI=1S/C8H6Cl2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
CH$LINK: INCHIKEY BTEVDFJXGLQUDS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7042146

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$SPLASH: splash10-00fr-1910000000-fd62a52d32761f57d5b7
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  42 2.7 27
  44 6.1 61
  50 5.2 52
  73 0.34 3
  74 13.2 132
  75 15.2 152
  84 3.1 31
  85 0.25 3
  109 15.7 157
  110 5.9 59
  111 5.9 59
  145 3.16 32
  146 2.9 29
  147 20 200
  148 1.1 11
  149 0.29 3
  173 99.99 999
  174 7.2 72
  175 59.9 599
  176 0.47 5
  177 8.8 88
  186 1.3 13
  203 1.1 11
  204 3.07 31
  205 3.4 34
  206 20 200
  207 1.1 11
  208 3.1 31
//