ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012264
RECORD_TITLE: ISOBUTYLBENZENE; 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$NAME: ISOBUTYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄
CH$EXACT_MASS: 134.10955
CH$SMILES: CC(C)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
CH$LINK: CAS 538-93-2
CH$LINK: INCHIKEY KXUHSQYYJYAXGZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6027181

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$SPLASH: splash10-0a4i-9800000000-c2e7adf05d352b917e97
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  57 99.99 999
  58 4.59 46
  79 5.78 58
  91 6.59 66
  92 2.39 24
  107 11.68 117
  119 16.26 163
  120 1.57 16
  133 14.63 146
  134 7.95 80
  135 46.24 462
  136 4.97 50
  163 3.4 34
  175 4.91 49
//