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MassBank Record: JP006442

2-BUTANONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP006442
RECORD_TITLE: 2-BUTANONE; 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$NAME: 2-BUTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8O
CH$EXACT_MASS: 72.05751
CH$SMILES: CCC(C)=O
CH$IUPAC: InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
CH$LINK: INCHIKEY ZWEHNKRNPOVVGH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021516

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$SPLASH: splash10-0006-9000000000-9d38ccb9b91100a7ec9a
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  14 1.39 14
  15 6.48 65
  26 4.08 41
  27 13.01 130
  28 1.03 10
  29 17.17 172
  39 1.93 19
  41 1.27 13
  42 6.27 63
  43 99.99 999
  44 2.24 22
  57 7.37 74
  72 21.68 217
//

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