ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007943
RECORD_TITLE: 4-(1,1-DIMETHYLETHYL)PHENOL; CI-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: P-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: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV

PK$SPLASH: splash10-0002-0910000000-5f1bfd35cf8deb78b98c
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  93 7.66 77
  106 17.55 176
  107 1.49 15
  120 1.87 19
  121 3.73 37
  129 1.86 19
  133 5.72 57
  134 18.56 186
  135 2.67 27
  146 1.71 17
  147 2.06 21
  148 4.76 48
  149 99.99 999
  150 11.8 118
  162 13.95 140
  163 4.74 47
  164 2.79 28
  165 1.67 17
  169 1.84 18
  185 14.64 146
  186 1.48 15
  187 4.62 46
  205 1.01 10
  233 3.41 34
  235 5.4 54
  243 2.79 28
  299 17.35 174
  300 3.61 36
//