MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006944

2,5-HEXANEDIONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006944
RECORD_TITLE: 2,5-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$NAME: 2,5-HEXANEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₂
CH$EXACT_MASS: 114.06808
CH$SMILES: CC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
CH$LINK: INCHIKEY OJVAMHKKJGICOG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8030138

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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$SPLASH: splash10-0006-9000000000-f033b75304f48c79ed31
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  15 8.65 87
  26 1.58 16
  27 6.27 63
  28 1.46 15
  29 1.32 13
  39 2.03 20
  41 1.33 13
  42 4.88 49
  43 99.99 999
  44 2 20
  55 1.14 11
  57 4.31 43
  71 9.14 91
  72 1.41 14
  99 15.97 160
  114 3.23 32
//