ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001542
RECORD_TITLE: TERT-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$NAME: TERT-BUTYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄
CH$EXACT_MASS: 134.10955
CH$SMILES: CC(C)(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
CH$LINK: INCHIKEY YTZKOQUCBOVLHL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3047138

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$SPLASH: splash10-014l-9800000000-7cd58a1b98cf092cd5c4
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 3.92 39
  29 3.13 31
  39 10.09 101
  41 21.99 220
  50 3.15 32
  51 9.79 98
  52 2.6 26
  53 1.81 18
  55 1.3 13
  57.5 2.89 29
  58 3 30
  58.5 1.3 13
  59.5 1.3 13
  63 2.98 30
  64 1.01 10
  65 5.36 54
  66 1.39 14
  74 1.08 11
  75 1.1 11
  76 1.21 12
  77 11.38 114
  78 4.88 49
  79 10.12 101
  89 1.8 18
  91 55.86 559
  92 4.59 46
  102 1.52 15
  103 5.18 52
  104 1.65 17
  105 2.58 26
  115 3.55 36
  117 2.81 28
  118 1.33 13
  119 99.99 999
  120 10.26 103
  134 28.36 284
  135 3.24 32
//