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2-PENTANONE; EI-B; MS

Mass Spectrum

Chemical Structure

metabolomics-usi visualisation

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006444
RECORD_TITLE: 2-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

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

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-9d6ab400df7dd4c12a37
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  15 5.06 51
  26 1.47 15
  27 12.09 121
  28 1.02 10
  29 1.55 16
  39 7.91 79
  41 11.49 115
  42 5.29 53
  43 99.99 999
  44 2.55 26
  58 8 80
  71 8.56 86
  86 16.35 164
//

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system version 2.2.8

Responsible: Tillmann G. Fischer

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.