MassBank Record: JP001802



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

ACCESSION: JP001802
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL METHYL KETONE CH$NAME: 4-METHYL-2-PENTANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H12O CH$EXACT_MASS: 100.08882 CH$SMILES: CC(C)CC(C)=O CH$IUPAC: InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
AC$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-a74860e5429fbdddd4ec PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 15 3.19 32 18 1.06 11 27 4.99 50 28 2.45 25 29 9.81 98 39 5.56 56 41 17.42 174 42 3.35 34 43 99.99 999 44 2.45 25 57 20.28 203 58 37.94 379 59 2.37 24 67 1.55 16 85 14.39 144 100 11.69 117 101 1.72 17 //