ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010784
RECORD_TITLE: 2,4-DI-TERT-BUTYLPHENOL; 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$NAME: 2,4-DI-TERT-BUTYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂O
CH$EXACT_MASS: 206.16707
CH$SMILES: Oc(c1)c(cc(c1)C(C)(C)C)C(C)(C)C
CH$IUPAC: InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
CH$LINK: INCHIKEY ICKWICRCANNIBI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2026602

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$SPLASH: splash10-0006-6910000000-1628f01584925f62f46b
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  42 16.22 162
  43 1.35 14
  51 2.45 25
  52 1.13 11
  53 1.84 18
  55 2.99 30
  57 43.11 431
  58 2.11 21
  60 4.11 41
  64 1.36 14
  65 2.13 21
  66 2.53 25
  67 1.13 11
  72 1.13 11
  73 4.62 46
  74 11.23 112
  77 3.49 35
  79 1.69 17
  87 1.11 11
  88 4.72 47
  91 4.65 47
  105 2.26 23
  107 3.6 36
  115 3.11 31
  116 1.16 12
  117 1.64 16
  119 1.21 12
  121 1.22 12
  128 1.74 17
  129 1.11 11
  133 1.5 15
  135 1.95 20
  147 1.83 18
  149 0.99 10
  161 1.74 17
  163 4.8 48
  175 3.72 37
  191 99.99 999
  192 15.09 151
  193 1.14 11
  206 15.76 158
  207 2.42 24
//