MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006784

1,4-DIOXANE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006784
RECORD_TITLE: 1,4-DIOXANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: 1,4-DIOXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈O₂
CH$EXACT_MASS: 88.05243
CH$SMILES: C(C1)OCCO1
CH$IUPAC: InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
CH$LINK: INCHIKEY RYHBNJHYFVUHQT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020533

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AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0570-9000000000-fdad6aa284c3554c651b
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  14 1.31 13
  15 10.69 107
  26 4.88 49
  27 9.8 98
  28 99.99 999
  29 26.36 264
  30 14.54 145
  31 17.35 174
  42 1.41 14
  43 14.02 140
  44 6.94 69
  45 11.77 118
  57 12.52 125
  58 52.63 526
  59 2.35 24
  87 5.72 57
  88 78.89 789
  89 6.71 67
//