ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009841
RECORD_TITLE: 3-ACETYL-2,5,6-TRIMETHYLHYDROQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 3-ACETYL-2,5,6-TRIMETHYLHYDROQUINONE
CH$NAME: 3,6-DIHYDROXY-2,4,5-TRIMETHYLACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O3
CH$EXACT_MASS: 194.09429
CH$SMILES: CC(=O)c(c(C)1)c(O)c(C)c(C)c(O)1
CH$IUPAC: InChI=1S/C11H14O3/c1-5-6(2)11(14)9(8(4)12)7(3)10(5)13/h13-14H,1-4H3
CH$LINK: INCHIKEY ADMGWHTWSYEIOQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20446406
AC$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: splash10-004l-1900000000-a3fa195868d83f6a8ce9
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 3.1 31
  28 2 20
  39 4.8 48
  41 0.36 4
  43 13.4 134
  53 3.4 34
  55 3.3 33
  67 0.55 6
  77 4.5 45
  79 2.5 25
  91 2.7 27
  123 0.61 6
  133 2.3 23
  149 4.7 47
  151 5 50
  161 0.39 4
  175 3 30
  176 10.6 106
  179 99.99 999
  180 1.19 12
  193 3.1 31
  194 60.5 605
  195 7.2 72
//
