MassBank Record: JP006441

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ACETONE; EI-B; MS

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

ACCESSION: JP006441
RECORD_TITLE: ACETONE; 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$NAME: ACETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H6O
CH$EXACT_MASS: 58.04186
CH$SMILES: CC(C)=O
CH$IUPAC: InChI=1S/C3H6O/c1-3(2)4/h1-2H3
CH$LINK: INCHIKEY CSCPPACGZOOCGX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021482

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$SPLASH: splash10-0006-9000000000-23fa1a3953b34b4d17db
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  14 3.85 39
  15 20.7 207
  26 5.19 52
  27 7.85 79
  29 2.85 29
  37 1.48 15
  38 1.68 17
  39 4.3 43
  41 1.43 14
  42 7.65 77
  43 99.99 999
  44 2.27 23
  58 24.56 246
//