ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002644
RECORD_TITLE: 2,6-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$NAME: 2,6-DICHLOROBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H6Cl2O2
CH$EXACT_MASS: 203.97448
CH$SMILES: COC(=O)c(c(Cl)1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C8H6Cl2O2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
CH$LINK: COMPTOX DTXSID20344796
CH$LINK: INCHIKEY HEYGSGDIWJDORA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:599542
AC$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-2920000000-43bd32b64f2edfeaeb24
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  45 2.6 26
  50 4.9 49
  51 2.6 26
  63 0.26 3
  73 4.4 44
  74 22.4 224
  75 22.4 224
  84 0.78 8
  85 4.2 42
  86 2 20
  109 28.5 285
  110 0.96 10
  111 10.5 105
  112 2.2 22
  126 2 20
  145 3.91 39
  146 2.4 24
  147 23.8 238
  149 3.1 31
  173 99.99 999
  174 16.1 161
  175 84.9 849
  176 11.6 116
  177 2.42 24
  186 3.5 35
  204 52.8 528
  205 3.8 38
  206 3.43 34
  207 2.6 26
  208 4.7 47
//
