ACCESSION: JP001803
RECORD_TITLE: ETHYL METHYL 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

CH$NAME: ETHYL METHYL KETONE
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-6d2b5f585a1d1bc5a8fb
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  15 3.02 30
  18 3.27 33
  26 1.13 11
  27 4.59 46
  28 1.38 14
  29 14.34 143
  39 1.26 13
  41 1.19 12
  42 3.27 33
  43 99.99 999
  44 2.64 26
  57 8.3 83
  71 1.01 10
  72 27.99 280
  73 1.64 16
//