MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006945

3,4-HEXANEDIONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006945
RECORD_TITLE: 3,4-HEXANEDIONE; 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$NAME: 3,4-HEXANEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₂
CH$EXACT_MASS: 114.06808
CH$SMILES: CCC(=O)C(=O)CC
CH$IUPAC: InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3
CH$LINK: INCHIKEY KVFQMAZOBTXCAZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3047681

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AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a6r-9000000000-caf9127e49f75f70f432
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  15 1 10
  26 5.43 54
  27 25.88 259
  28 3.35 34
  29 73.2 732
  30 1.39 14
  39 1.2 12
  42 2.57 26
  55 1.27 13
  57 99.99 999
  58 3.07 31
  114 9.25 93
//