MassBank Record: JP001689



 ACETYL ACETONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001689
RECORD_TITLE: ACETYL ACETONE; 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$NAME: ACETYL ACETONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H8O2 CH$EXACT_MASS: 100.05243 CH$SMILES: CC(=O)CC(C)=O CH$IUPAC: InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
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$SPLASH: splash10-0006-9000000000-43699b9ce7635de34706 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 14 1.43 14 15 8.33 83 26 1.21 12 27 4.03 40 28 2.15 22 29 3.59 36 31 2.21 22 39 3.42 34 41 4.03 40 42 4.8 48 43 99.99 999 44 2.37 24 55 1.1 11 58 4.3 43 72 4.75 48 85 24.67 247 86 1.21 12 100 14.68 147 101 1.38 14 //