ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001540
RECORD_TITLE: ISOBUTYLBENZENE; 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$NAME: ISOBUTYLBENZENE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9100000000-39a73cd7e5f1b1711b45
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 5.43 54
  28 1.04 10
  29 1.42 14
  38 1.06 11
  39 9.71 97
  41 9.05 91
  43 15.22 152
  50 2.01 20
  51 5.45 55
  52 1.53 15
  55 1.06 11
  56 1.75 18
  57.5 1.53 15
  58 1.39 14
  62 1.04 10
  63 3.47 35
  64 1.11 11
  65 12.82 128
  66 1.04 10
  77 3.23 32
  78 3.19 32
  89 2.5 25
  90 1.44 14
  91 99.99 999
  92 63.14 631
  93 4.64 46
  103 1.23 12
  105 1.42 14
  115 2.62 26
  117 1.89 19
  119 1.6 16
  134 28.66 287
  135 3.35 34
//