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2,3-BUTANEDIONE; EI-B; MS

Mass Spectrum

Chemical Structure

metabolomics-usi visualisation

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006940
RECORD_TITLE: 2,3-BUTANEDIONE; 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

CH$NAME: 2,3-BUTANEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₆O₂
CH$EXACT_MASS: 86.03678
CH$SMILES: CC(=O)C(C)=O
CH$IUPAC: InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
CH$LINK: INCHIKEY QSJXEFYPDANLFS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021583

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$SPLASH: splash10-0006-9000000000-eeaaf8aa838a1d6a7dde
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  13 1.24 12
  14 5.45 55
  15 20.26 203
  26 1.53 15
  27 1.08 11
  29 1.55 16
  41 1.8 18
  42 8.35 84
  43 99.99 999
  44 2.28 23
  86 10.17 102
//

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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.