ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002642
RECORD_TITLE: 2,5-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$NAME: 2,5-DICHLOROBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₆Cl₂O₂
CH$EXACT_MASS: 203.97448
CH$SMILES: COC(=O)c(c1)c(Cl)ccc(Cl)1
CH$IUPAC: InChI=1S/C8H6Cl2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
CH$LINK: INCHIKEY SPJQBGGHUDNAIC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022201

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$SPLASH: splash10-00b9-2920000000-bb334199ec4a0421b68e
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  50 11 110
  73 7.1 71
  74 30.9 309
  75 2.81 28
  84 6.7 67
  85 2.4 24
  109 30.2 302
  110 0.99 10
  111 9.2 92
  145 46.6 466
  146 2.4 24
  147 3.06 31
  149 2.8 28
  173 36.6 366
  174 11.7 117
  175 99.99 999
  176 14.2 142
  177 2.4 24
  204 45.5 455
  205 1.85 19
  206 14.9 149
  207 3.2 32
//