ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004053
RECORD_TITLE: 4-TERT-BUTYLPYROCATECHOL; 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$NAME: 4-TERT-BUTYLPYROCATECHOL
CH$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$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0udi-3900000000-f9511f96cf0831db8723
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  18 1.8 18
  27 3.1 31
  28 2 20
  29 0.21 2
  39 5.7 57
  41 7.5 75
  43 3.4 34
  50 0.1 1
  51 4.5 45
  52 2 20
  53 3.5 35
  55 0.33 3
  57 1.5 15
  58 1.1 11
  62 1.5 15
  63 0.23 2
  64 1.8 18
  65 3.9 39
  66 2 20
  67 0.16 2
  74.5 1.5 15
  75 1.5 15
  75.5 1 10
  77 0.65 7
  78 1.7 17
  79 3.1 31
  80 2.8 28
  81 0.13 1
  89 2 20
  91 1.8 18
  93 3.8 38
  94 0.15 2
  95 1 10
  99 2.7 27
  103 2 20
  104 0.12 1
  105 7.2 72
  106 1.2 12
  107 3.7 37
  108 0.6 6
  109 4 40
  110 3.2 32
  111 6.5 65
  117 0.12 1
  119 1.3 13
  123 17 170
  124 1.8 18
  133 0.25 3
  135 8.2 82
  136 1.5 15
  137 5.5 55
  150 0.29 3
  151 99.99 999
  152 10.8 108
  153 1.3 13
  166 2.91 29
  167 3.9 39
//