MassBank Record: JP002131



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

ACCESSION: JP002131
RECORD_TITLE: METHYL HEXYL 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$NAME: METHYL HEXYL KETONE CH$NAME: 2-OCTANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H16O CH$EXACT_MASS: 128.12012 CH$SMILES: CCCCCCC(C)=O CH$IUPAC: InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
AC$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-9000000000-0c79f07e8e0b16f54caa PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 15 2.15 22 27 5.22 52 28 2.61 26 29 5.92 59 39 3.5 35 41 10.81 108 42 3.66 37 43 99.99 999 44 4.68 47 45 2.64 26 55 4.95 50 56 1.78 18 57 5.11 51 58 83.16 832 59 15.38 154 68 1.72 17 69 1.61 16 70 2.69 27 71 15.12 151 72 3.12 31 85 6.99 70 86 1.72 17 95 1 10 113 2.69 27 128 3.77 38 129 1.08 11 //