MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001801

METHYL PROPYL KETONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001801
RECORD_TITLE: METHYL PROPYL KETONE; 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$NAME: METHYL PROPYL KETONE
CH$NAME: 2-PENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O
CH$EXACT_MASS: 86.07316
CH$SMILES: CCCC(C)=O
CH$IUPAC: InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
CH$LINK: INCHIKEY XNLICIUVMPYHGG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021888

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AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-a8e31a9aba1a3bc1fe5a
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  15 3.27 33
  27 7.31 73
  28 1.6 16
  29 1.53 15
  39 3.62 36
  41 8.98 90
  42 3.34 33
  43 99.99 999
  44 2.51 25
  58 7.52 75
  71 7.17 72
  86 13.51 135
  87 1.46 15
//