ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002632
RECORD_TITLE: 4-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$NAME: 4-CHLOROBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7ClO2
CH$EXACT_MASS: 170.01346
CH$SMILES: COC(=O)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
CH$LINK: INCHIKEY LXNFVVDCCWUUKC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5022148
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$SPLASH: splash10-024i-5900000000-27527e684c27d4f8f350
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  49 3 30
  50 33.1 331
  51 15.2 152
  55 0.34 3
  57 3 30
  59 6.5 65
  63 3.4 34
  73 0.34 3
  74 18.7 187
  75 61.1 611
  76 14.8 148
  77 0.26 3
  85 5.2 52
  111 99.99 999
  112 5.6 56
  113 3.4 34
  135 3 30
  139 33.6 336
  140 20.9 209
  141 8.73 87
  142 4.8 48
  169 3.4 34
  170 75.9 759
  171 0.52 5
  172 26.6 266
//
