MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006445

3-PENTANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006445
RECORD_TITLE: 3-PENTANONE; 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$NAME: 3-PENTANONE
CH$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$LINK: INCHIKEY FDPIMTJIUBPUKL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021820

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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$SPLASH: splash10-056r-9000000000-ee9204007b48c301923d
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  15 1.32 13
  26 5.97 60
  27 26.33 263
  28 4 40
  29 74.75 748
  30 1.39 14
  39 2.89 29
  41 1.73 17
  42 3.89 39
  43 2.22 22
  53 1.05 11
  55 1.48 15
  56 3.97 40
  57 99.99 999
  58 3.72 37
  86 17.86 179
//