ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001677
RECORD_TITLE: ISOBUTYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$LINK: INCHIKEY KXUHSQYYJYAXGZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6027181

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9100000000-8955415b16a78341ad8c
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 4.81 48
  28 1.45 15
  29 1.19 12
  39 8.37 84
  41 9.23 92
  43 15.69 157
  50 1.71 17
  51 4.75 48
  52 1.12 11
  56 1.25 13
  57.5 1.25 13
  63 2.97 30
  65 12.26 123
  77 2.83 28
  78 2.44 24
  89 2.18 22
  91 99.99 999
  92 52.54 525
  93 3.49 35
  103 0.86 9
  115 2.31 23
  117 1.45 15
  119 0.92 9
  134 22.02 220
  135 2.18 22
//