MassBank Record: JP001804



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

ACCESSION: JP001804
RECORD_TITLE: BUTYL 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$NAME: BUTYL METHYL KETONE CH$NAME: 2-HEXANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H12O CH$EXACT_MASS: 100.08882 CH$SMILES: CCCCC(C)=O CH$IUPAC: InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
AC$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: splash10-052f-9000000000-c9c9e98957d1fde0dce7 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 15 4.66 47 26 1.18 12 27 8.46 85 28 2.49 25 29 16.46 165 39 5.77 58 41 15.67 157 42 3.67 37 43 99.99 999 44 2.23 22 55 1.57 16 57 17.25 173 58 49.31 493 59 2.69 27 71 5.18 52 72 1.25 13 85 7.41 74 100 9.11 91 101 2.56 26 //