MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000257

2-PENTANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000257
RECORD_TITLE: 2-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$NAME: 2-PENTANONE
CH$NAME: METHYL PROPYL KETONE
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: COMPTOX DTXSID0021888
CH$LINK: INCHIKEY XNLICIUVMPYHGG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7895

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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$SPLASH: splash10-0006-9000000000-cd084d7fb390ed239f79
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  14 1.2 12
  15 1.5 15
  26 1.8 18
  27 1.32 13
  28 1.7 17
  29 2.1 21
  38 1.4 14
  39 0.75 8
  40 1 10
  41 13.4 134
  42 4.4 44
  43 99.99 999
  44 2.4 24
  58 9.1 91
  71 11 110
  86 1.76 18
  87 1.3 13
//