MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006443

1-PENTEN-3-ONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006443
RECORD_TITLE: 1-PENTEN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 1-PENTEN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O
CH$EXACT_MASS: 84.05751
CH$SMILES: CCC(=O)C=C
CH$IUPAC: InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
CH$LINK: INCHIKEY JLIDVCMBCGBIEY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5025318

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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$SPLASH: splash10-0a6r-9000000000-670c8b38aed5c5d2ba07
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  15 1.16 12
  26 10.3 103
  27 47.88 479
  28 2.39 24
  29 18.98 190
  38 1.03 10
  39 3.35 34
  41 1.59 16
  42 2.18 22
  53 1.42 14
  55 99.99 999
  56 6.3 63
  57 7.34 73
  83 1.1 11
  84 13.02 130
  85 1.6 16
//