MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006941

2,3-PENTANEDIONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006941
RECORD_TITLE: 2,3-PENTANEDIONE; 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$NAME: 2,3-PENTANEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₂
CH$EXACT_MASS: 100.05243
CH$SMILES: CCC(=O)C(C)=O
CH$IUPAC: InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3
CH$LINK: INCHIKEY TZMFJUDUGYTVRY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6051435

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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$SPLASH: splash10-002f-9000000000-0ce95c5163dd022c1c85
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  14 3.2 32
  15 11.5 115
  26 6.9 69
  27 21.84 218
  28 2.62 26
  29 59.1 591
  30 1.06 11
  39 1.16 12
  41 1.31 13
  42 7.37 74
  43 99.99 999
  44 2.99 30
  57 38.91 389
  58 1.02 10
  100 11.35 114
//