ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004061
RECORD_TITLE: PARA-TERT-BUTYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: PARA-TERT-BUTYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.10447
CH$SMILES: Oc(c1)ccc(c1)C(C)(C)C
CH$IUPAC: InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
CH$LINK: INCHIKEY QHPQWRBYOIRBIT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1020221

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-000i-8900000000-fcc9d5515e40bf2ce9bf
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  26 1.5 15
  27 10.5 105
  28 18.2 182
  29 0.57 6
  32 2.1 21
  38 3 30
  39 20.3 203
  40 0.2 2
  41 23.9 239
  42 1 10
  43 1.1 11
  50 0.26 3
  51 6.9 69
  52 2 20
  53 4.3 43
  55 0.41 4
  57 1.6 16
  59 1.2 12
  62 2.1 21
  63 0.43 4
  64 1.6 16
  65 8.9 89
  66 3.5 35
  66.5 0.11 1
  67 1.1 11
  67.5 1.1 11
  74 1.3 13
  75 0.15 2
  77 11.6 116
  78 2.2 22
  79 3 30
  89 0.16 2
  91 10.3 103
  92 2 20
  94 2.5 25
  95 1.74 17
  96 1.5 15
  103 1.2 12
  105 2 20
  106 0.16 2
  107 26.7 267
  108 2 20
  115 1 10
  119 0.3 3
  120 1.4 14
  121 1.2 12
  133 1 10
  134 0.19 2
  135 99.99 999
  136 8.9 89
  150 20 200
  151 2.2 22
//