MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000266

3-PENTANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000266
RECORD_TITLE: 3-PENTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 3-PENTANONE
CH$NAME: DIETHYL KETONE
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-056r-9000000000-7d83e3628aaaa93df5bc
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  15 1.4 14
  26 5 50
  27 22.8 228
  28 0.72 7
  29 78.1 781
  30 1.8 18
  39 2.2 22
  41 0.2 2
  42 2.7 27
  43 2.2 22
  55 1.3 13
  56 0.27 3
  57 99.99 999
  58 3.5 35
  86 19.8 198
  87 1.5 15
//