MassBank Record: JP000263



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

ACCESSION: JP000263
RECORD_TITLE: 5-METHYL-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$NAME: 5-METHYL-2-HEXANONE CH$NAME: METHYL ISOAMYL KETONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H14O CH$EXACT_MASS: 114.10447 CH$SMILES: CC(C)CCC(C)=O CH$IUPAC: InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
AC$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: splash10-0006-9000000000-154c06a6e349e4078172 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 15 6.2 62 26 1 10 27 11.8 118 28 0.28 3 29 8.1 81 39 9.4 94 40 1.3 13 41 1.61 16 42 2.1 21 43 99.99 999 44 2.4 24 53 0.17 2 55 4.8 48 56 4.6 46 57 17.8 178 58 5.76 58 59 12.3 123 71 10.4 104 72 1.4 14 81 0.62 6 85 1.7 17 86 2.2 22 99 2.7 27 114 1.02 10 115 1.4 14 //