MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006943

2,3-HEXANEDIONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006943
RECORD_TITLE: 2,3-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$NAME: 2,3-HEXANEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₂
CH$EXACT_MASS: 114.06808
CH$SMILES: CCCC(=O)C(C)=O
CH$IUPAC: InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3
CH$LINK: INCHIKEY MWVFCEVNXHTDNF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047066

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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$SPLASH: splash10-0006-9000000000-834d76c0fa32b0bcd9c1
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  14 1.34 13
  15 8.34 83
  26 1.77 18
  27 20.81 208
  29 1.65 17
  38 1.13 11
  39 8.89 89
  41 24.58 246
  42 7.48 75
  43 99.99 999
  44 3.36 34
  55 1.09 11
  71 25.18 252
  72 1.56 16
  114 5.91 59
//