ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010823
RECORD_TITLE: 4-TERT-BUTYLPYROCATECHOL; 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$NAME: 4-TERT-BUTYLPYROCATECHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₂
CH$EXACT_MASS: 166.09938
CH$SMILES: Oc(c1)c(O)cc(c1)C(C)(C)C
CH$IUPAC: InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
CH$LINK: INCHIKEY XESZUVZBAMCAEJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5024687

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0udi-2900000000-a3ac4989ca5b94fafdcb
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  42 7.97 80
  43 1.5 15
  44 9.27 93
  50 1.04 10
  51 3.88 39
  52 1.58 16
  53 1.96 20
  55 2.38 24
  63 1.93 19
  64 1.12 11
  65 2.92 29
  67 1.02 10
  75 1.65 17
  76 2.23 22
  77 5.35 54
  78 1.31 13
  79 2.66 27
  89 1.78 18
  91 1.75 18
  93 4.46 45
  103 1.39 14
  105 6.12 61
  107 1.89 19
  110 2.33 23
  111 6.04 60
  123 13.38 134
  124 1.31 13
  133 2.46 25
  135 1.79 18
  136 1.47 15
  150 2.25 23
  151 99.99 999
  152 10.32 103
  166 33.34 333
  167 3.74 37
//