ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003576
RECORD_TITLE: 2,5-DI-TERT-BUTYL-HYDROQUINONE; 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$NAME: 2,5-DI-TERT-BUTYL-HYDROQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂O₂
CH$EXACT_MASS: 222.16198
CH$SMILES: CC(C)(C)c(c1)c(O)cc(C(C)(C)C)c(O)1
CH$IUPAC: InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
CH$LINK: INCHIKEY JZODKRWQWUWGCD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8041248

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-6290000000-3cf7c88f0a9fb2f335be
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 2.62 26
  29 3.74 37
  39 5.38 54
  41 21.04 210
  43 15.63 156
  53 4.17 42
  55 7.04 70
  57 31.42 314
  67 4.19 42
  69 4.43 44
  71 5.58 56
  77 4.62 46
  79 3.86 39
  81 5.33 53
  82 5.18 52
  91 5.99 60
  105 2.67 27
  107 2.01 20
  115 2.9 29
  123 3.41 34
  137 5.31 53
  149 2.83 28
  151 3.91 39
  163 4.51 45
  177 4.07 41
  179 2.81 28
  191 3.38 34
  192 2.94 29
  193 3.91 39
  205 3.86 39
  207 99.99 999
  208 14.97 150
  220 2.88 29
  222 44.56 446
  223 6.9 69
//