ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005889
RECORD_TITLE: 1-CHLOROETHYLBENZENE; EI-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$NAME: 1-CHLOROETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9Cl
CH$EXACT_MASS: 140.03928
CH$SMILES: CC(Cl)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3
CH$LINK: INCHIKEY GTLWADFFABIGAE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20870747
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-0900000000-75589d62c4717d9c005b
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  77 4.79 48
  78 2.39 24
  79 7.71 77
  103 6.12 61
  104 8.51 85
  105 99.99 999
  106 9.31 93
  125 5.32 53
  127 1.86 19
  140 20.48 205
  141 1.86 19
  142 7.18 72
//
