MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006942

2,4-PENTANEDIONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006942
RECORD_TITLE: 2,4-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$NAME: 2,4-PENTANEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₂
CH$EXACT_MASS: 100.05243
CH$SMILES: CC(=O)CC(C)=O
CH$IUPAC: InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
CH$LINK: INCHIKEY YRKCREAYFQTBPV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021979

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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$SPLASH: splash10-0006-9100000000-bbf09a0b601d6c1b37f4
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  14 1.29 13
  15 9.17 92
  26 2.22 22
  27 8 80
  29 5.69 57
  31 3.52 35
  37 1 10
  38 1.66 17
  39 5.99 60
  41 5.36 54
  42 8.15 82
  43 99.99 999
  44 2.02 20
  55 1.63 16
  58 3.47 35
  72 4.61 46
  85 34.47 345
  86 1.36 14
  100 22.63 226
  101 1.52 15
//