ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011605
RECORD_TITLE: ISO-BUTYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISO-BUTYLBENZENE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9100000000-441e2bdac95b54c434ff
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 10.2 102
  28 1.2 12
  29 2.5 25
  38 1.2 12
  39 15.7 157
  40 1.2 12
  41 12.3 123
  43 22.2 222
  50 2.5 25
  51 7.7 77
  52 1.9 19
  53 1.2 12
  56 1.2 12
  58 1.9 19
  63 4.3 43
  64 1.2 12
  65 15.4 154
  77 3.1 31
  78 3.1 31
  89 2.5 25
  91 99.99 999
  92 61 610
  93 4.9 49
  103 1.2 12
  104 1.5 15
  106 1.2 12
  115 2.2 22
  117 1.5 15
  119 1.5 15
  134 22.2 222
  135 2.5 25
//