ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000743
RECORD_TITLE: ALLYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ALLYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀
CH$EXACT_MASS: 118.07825
CH$SMILES: C=CCc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
CH$LINK: INCHIKEY HJWLCRVIBGQPNF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00861855

AC$INSTRUMENT: HITACHI RMS-4
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-9800000000-fa7569aa7d7853ab2250
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  39 21 210
  40 3 30
  41 5 50
  42 0.15 2
  43 1.5 15
  49 1.5 15
  50 10 100
  51 1.6 16
  52 5 50
  53 3 30
  61 2 20
  62 0.6 6
  63 12 120
  64 3 30
  65 18 180
  66 0.2 2
  67 1 10
  73 1 10
  74 5 50
  75 0.3 3
  76 3 30
  77 9 90
  78 9 90
  79 0.2 2
  85 1 10
  86 1 10
  87 2 20
  88 0.1 1
  89 9 90
  90 5 50
  91 47 470
  92 0.6 6
  94 2 20
  103 13 130
  104 3 30
  105 0.2 2
  115 32 320
  116 9 90
  117 99.99 999
  118 7.8 78
  119 9 90
//