ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007133
RECORD_TITLE: TERT-BUTYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$LINK: CAS 98-06-6
CH$LINK: INCHIKEY YTZKOQUCBOVLHL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3047138

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-014l-9800000000-a0bc8ad01060554d93d9
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 1.52 15
  27 3.41 34
  28 1.86 19
  29 2.35 24
  39 10.75 108
  41 19.57 196
  50 3.09 31
  51 10.62 106
  52 2.22 22
  53 1.38 14
  57 1.04 10
  58 2.01 20
  63 2.74 27
  65 4.25 43
  74 1.01 10
  75 1.15 12
  76 1.11 11
  77 13.17 132
  78 4.88 49
  79 9.67 97
  89 1.35 14
  91 61.67 617
  92 4.15 42
  102 1.81 18
  103 5.74 57
  104 1.69 17
  115 3.24 32
  116 1.01 10
  117 2.51 25
  118 1.11 11
  119 99.99 999
  120 9.19 92
  134 24.1 241
  135 2.37 24
//