ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007929
RECORD_TITLE: 4-(1,1-DIMETHYLETHYL)PHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: 4-(1,1-DIMETHYLETHYL)PHENOL
CH$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: JEOL JMS-D-300
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-2900000000-4db3c9778d301443456d
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  51 3.73 37
  53 1.9 19
  55 2.63 26
  57 1.7 17
  63 1.95 20
  64 1.07 11
  65 4.57 46
  66 3.29 33
  67 1.68 17
  68 0.99 10
  77 9.28 93
  78 1.06 11
  79 2.73 27
  89 1.23 12
  91 7.55 76
  94 1.43 14
  95 15.67 157
  105 1.76 18
  106 1.09 11
  107 36.15 362
  108 2.74 27
  109 1.1 11
  115 1.51 15
  119 2.52 25
  121 1.53 15
  133 1.26 13
  134 1.24 12
  135 99.99 999
  136 9.82 98
  150 26.32 263
  151 3.37 34
//
