ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002634
RECORD_TITLE: 2-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$NAME: 2-CHLOROBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7ClO2
CH$EXACT_MASS: 170.01346
CH$SMILES: COC(=O)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C8H7ClO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
CH$LINK: INCHIKEY JAVRNIFMYIJXIE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8044701
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$SPLASH: splash10-000i-3900000000-2fec1ba51e91e5bf09c7
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  50 12.7 127
  51 7.7 77
  71 2.2 22
  74 0.5 5
  75 25.9 259
  76 4 40
  77 3.6 36
  111 3.4 34
  113 7.7 77
  139 99.99 999
  140 5.4 54
  141 3.4 34
  170 28.1 281
  172 5.4 54
//
