ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009449
RECORD_TITLE: ALLYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
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$SPLASH: splash10-014i-4900000000-a18011b7c709c4e593a7
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  41 3.5 35
  43 1 10
  49 1 10
  50 2.5 25
  51 13.5 135
  52 1.5 15
  55 1.5 15
  56 1 10
  57 2 20
  62 1.5 15
  63 5.5 55
  64 2.5 25
  65 12 120
  66 1 10
  74 1.5 15
  75 1 10
  76 1.5 15
  77 6 60
  78 6 60
  79 1 10
  82 1 10
  86 1 10
  87 1.5 15
  89 5.5 55
  90 1 10
  91 35.5 355
  92 2 20
  102 1.5 15
  103 8.5 85
  104 1.5 15
  115 34.5 345
  116 6 60
  117 99.99 999
  118 90.5 905
  119 8.5 85
//