MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004922

3-PENTANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004922
RECORD_TITLE: 3-PENTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: 3-PENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O
CH$EXACT_MASS: 86.07316
CH$SMILES: CCC(=O)CC
CH$IUPAC: InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
CH$LINK: CAS 96-22-0
CH$LINK: INCHIKEY FDPIMTJIUBPUKL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021820

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AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0a4i-9000000000-8c54b4d20d574dc02730
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  42 1.27 13
  43 1.52 15
  53 1.03 10
  55 1.27 13
  56 4.68 47
  57 99.99 999
  58 3.4 34
  86 17.27 173
  87 1.15 12
//