ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012252
RECORD_TITLE: 2-METHYLSTYRENE; 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$NAME: 2-METHYLSTYRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀
CH$EXACT_MASS: 118.07825
CH$SMILES: C=Cc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
CH$LINK: CAS 611-15-4
CH$LINK: INCHIKEY NVZWEEGUWXZOKI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060599

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$SPLASH: splash10-014i-0900000000-89883531d5ee6920f8ce
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  55 4.55 46
  57 8.6 86
  105 17.78 178
  117 5.45 55
  118 8.85 89
  119 99.99 999
  120 15.53 155
  147 20.12 201
  148 2.6 26
  159 4.26 43
//