ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006122
RECORD_TITLE: ALPHA-METHYLSTYRENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-METHYLSTYRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀
CH$EXACT_MASS: 118.07825
CH$SMILES: CC(=C)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
CH$LINK: INCHIKEY XYLMUPLGERFSHI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9025661

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-014i-1900000000-ad3095cda7771839f0f7
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  74 1.55 16
  75 1.3 13
  76 1.3 13
  77 6.7 67
  78 12.15 122
  79 1.86 19
  81 1.65 17
  89 1.98 20
  91 21.75 218
  92 1.84 18
  102 2.36 24
  103 21.29 213
  104 2.04 20
  116 2.65 27
  117 37.54 375
  118 99.99 999
  119 93.05 931
  120 8.5 85
//