ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012249
RECORD_TITLE: ALLYLBENZENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ALLYLBENZENE
CH$NAME: 2-PROPENYLBENZENE
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: CAS 300-57-2
CH$LINK: INCHIKEY HJWLCRVIBGQPNF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00861855

AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-014l-5900000000-b1696be136b354ac730c
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  91 90.22 902
  92 6.87 69
  105 7.22 72
  117 8.09 81
  118 11.23 112
  119 99.99 999
  120 10.16 102
  147 15.85 159
  148 1.83 18
  159 5.57 56
//