MassBank Record: JP002576



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

ACCESSION: JP002576
RECORD_TITLE: ACETYLACETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ACETYLACETONE CH$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$INSTRUMENT: HITACHI RMU-6M AC$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$SPLASH: splash10-000f-9100000000-339a18cfa2c9fef9fc0e PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 14 1.96 20 15 9.86 99 26 2.4 24 27 7.79 78 28 1.19 12 29 5.1 51 31 4.42 44 37 1.06 11 38 1.84 18 39 5.98 60 40 1.08 11 41 6.7 67 42 6.7 67 43 99.99 999 44 2.39 24 55 2.17 22 58 3.18 32 69 1.29 13 72 3.42 34 85 50.68 507 86 2.35 24 100 34.5 345 101 2.15 22 //