ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012256
RECORD_TITLE: ISOPROPYLBENZENE; 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$NAME: ISOPROPYLBENZENE
CH$NAME: CUMENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂
CH$EXACT_MASS: 120.09390
CH$SMILES: CC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
CH$LINK: CAS 98-82-8
CH$LINK: INCHIKEY RWGFKTVRMDUZSP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021827

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$SPLASH: splash10-05fr-2900000000-39c80e40c5435cf05394
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  79 52.89 529
  80 3.43 34
  91 5.79 58
  105 34.5 345
  106 3.72 37
  107 52.89 529
  108 4.46 45
  119 28.88 289
  120 17.27 173
  121 99.99 999
  122 9.7 97
  161 3.63 36
//