MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004713

1,4-BENZOQUINONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004713
RECORD_TITLE: 1,4-BENZOQUINONE; 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

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CH$NAME: 1,4-BENZOQUINONE
CH$NAME: 2,5-CYCLOHEXADIENE-1,4-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄O₂
CH$EXACT_MASS: 108.02113
CH$SMILES: [H]c(c([H])1)c(=O)c([H])c([H])c(=O)1
CH$IUPAC: InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
CH$LINK: CAS 106-51-4
CH$LINK: INCHIKEY AZQWKYJCGOJGHM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6020145

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0zgi-9500000000-c8bfbbc465fad7929f87
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  49 2.15 22
  50 4.89 49
  51 3.94 39
  52 16.25 163
  53 14.28 143
  54 69.78 698
  55 3.16 32
  61 2.04 20
  62 1.68 17
  63 1.03 10
  80 27.63 276
  81 1.85 19
  82 33.67 337
  83 1.55 16
  108 99.99 999
  109 6.93 69
  110 1.8 18
//