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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010556

DUROQUINONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010556
RECORD_TITLE: DUROQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: DUROQUINONE
CH$NAME: TETRAMETHYL-1,4-BENZOQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: Cc(c(C)1)c(=O)c(C)c(C)c(=O)1
CH$IUPAC: InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3
CH$LINK: CAS 527-17-3
CH$LINK: INCHIKEY WAMKWBHYPYBEJY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50200659

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0h2r-9600000000-31ed0fd06f2ea5d82f03
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  15 2.4 24
  17 1.7 17
  18 7.5 75
  26 4.3 43
  27 40.4 404
  28 16.2 162
  29 5.2 52
  32 2.1 21
  38 3.5 35
  39 42.8 428
  40 3.1 31
  41 6.9 69
  43 5.5 55
  50 11.2 112
  51 21.7 217
  52 15.3 153
  53 42.6 426
  54 53.6 536
  55 9.1 91
  62 1.4 14
  63 3.9 39
  64 1.1 11
  65 6.8 68
  66 3 30
  67 10 100
  77 14.5 145
  78 3.3 33
  79 6.5 65
  80 1.7 17
  81 1.8 18
  82 15.4 154
  83 3.8 38
  91 20.2 202
  92 3.1 31
  93 52 520
  94 4.7 47
  103 1.5 15
  105 2.6 26
  107 9.6 96
  108 17.8 178
  109 2.2 22
  110 4.5 45
  117 1.5 15
  119 1.9 19
  121 99.99 999
  122 9.1 91
  135 22.8 228
  136 62.6 626
  137 6.3 63
  149 2.6 26
  164 85.2 852
  165 10.2 102
  166 1.9 19
//

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