ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009482
RECORD_TITLE: 3-TERT-BUTYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 3-TERT-BUTYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O
CH$EXACT_MASS: 150.10447
CH$SMILES: Oc(c1)cc(cc1)C(C)(C)C
CH$IUPAC: InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3
CH$LINK: CAS 585-34-2
CH$LINK: INCHIKEY CYEKUDPFXBLGHH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9044825
AC$INSTRUMENT: HITACHI M-80
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: splash10-052r-3900000000-682da625802e236e6895
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  15 3.11 31
  27 5.2 52
  28 2.76 28
  29 2.96 30
  38 1.01 10
  39 10.52 105
  40 1.38 14
  41 8.52 85
  43 1.51 15
  50 1.62 16
  51 4.96 50
  52 1.91 19
  53 3.01 30
  55 1.91 19
  57 2.01 20
  63 4.12 41
  64 1.39 14
  65 7.49 75
  66 2.45 25
  75 1.3 13
  77 12.7 127
  78 3.68 37
  79 6.5 65
  89 2.98 30
  90 1.52 15
  91 21.3 213
  92 2.5 25
  94 2.17 22
  95 4.61 46
  102 1.17 12
  103 2.04 20
  105 3.24 32
  107 88.94 889
  108 10.36 104
  109 1.32 13
  115 13.9 139
  116 3.51 35
  117 1.72 17
  119 2.67 27
  120 1.06 11
  121 2.43 24
  122 2.09 21
  133 1.7 17
  134 1.64 16
  135 99.99 999
  136 10.41 104
  150 43.3 433
  151 4.9 49
//
