MassBank Record: JP000259



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

ACCESSION: JP000259
RECORD_TITLE: 2-HEXANONE; 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$NAME: 2-HEXANONE CH$NAME: METHYL BUTYL KETONE 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-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: splash10-052f-9000000000-b9a2ab16adfdd94ece2a PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 15 7.4 74 26 1.7 17 27 12.3 123 28 0.34 3 29 19.2 192 39 7.9 79 40 1 10 41 1.88 19 43 99.99 999 44 2.3 23 53 1.1 11 55 0.15 2 57 18 180 58 53.7 537 59 3.1 31 71 0.57 6 85 6.8 68 100 14.2 142 101 1.2 12 //