ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY VCRWILYAWSRHBN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60188611

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
//