ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005888
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-5900000000-be494a345d58f9db68b8
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 4.41 44
  28 2.86 29
  38 1.76 18
  39 5.73 57
  50 5.95 60
  51 15.2 152
  51.5 1.32 13
  52 4.18 42
  52.5 1.76 18
  53 1.21 12
  62 1.32 13
  63 4.3 43
  65 1.54 15
  74 1.98 20
  75 1.76 18
  76 1.76 18
  77 14.76 148
  78 6.82 68
  79 12.55 126
  89 2.86 29
  90 1.1 11
  102 2.09 21
  103 12.22 122
  104 9.8 98
  105 99.99 999
  106 9.47 95
  125 7.71 77
  127 2.64 26
  140 16.74 167
  141 1.43 14
  142 5.29 53
//
