ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005950
RECORD_TITLE: PHENETHYL CHLORIDE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PHENETHYL CHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₉Cl
CH$EXACT_MASS: 140.03928
CH$SMILES: ClCCc(c1)cccc1
CH$IUPAC: InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
CH$LINK: INCHIKEY MNNZINNZIQVULG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3060748

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0006-9600000000-9ce5bc4734157c5f4d89
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  77 8.32 83
  78 3.94 39
  79 2.27 23
  89 4.55 46
  90 3.74 37
  91 99.99 999
  92 8.27 83
  102 1.77 18
  103 8.93 89
  104 3.16 32
  105 14.64 146
  106 1.39 14
  139 2.18 22
  140 43.54 435
  141 4.65 47
  142 13.71 137
  143 1.12 11
//