ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002633
RECORD_TITLE: 3-CHLOROBENZOIC 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$NAME: 3-CHLOROBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7ClO2
CH$EXACT_MASS: 170.01346
CH$SMILES: COC(=O)c(c1)cc(Cl)cc1
CH$IUPAC: InChI=1S/C8H7ClO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
CH$LINK: INCHIKEY XRDRKVPNHIWTBX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6027507
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$SPLASH: splash10-03kc-3900000000-52d03b3bdb733f3e8171
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  49 2.1 21
  50 24.5 245
  51 12.4 124
  57 0.18 2
  59 3.4 34
  61 2.1 21
  63 2.4 24
  67 0.37 4
  73 3.4 34
  74 14.9 149
  75 55.2 552
  76 1.54 15
  77 6.8 68
  85 4.3 43
  111 99.99 999
  112 0.62 6
  113 32.9 329
  114 2.1 21
  135 3.7 37
  139 2.32 23
  140 18 180
  141 71.4 714
  142 4 40
  169 0.34 3
  170 72 720
  171 5.5 55
  172 22.9 229
//
