MassBank Record: JP000264



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

ACCESSION: JP000264
RECORD_TITLE: 2-OCTANONE; 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$NAME: 2-OCTANONE CH$NAME: METHYL HEXYL KETONE 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-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: splash10-0a4l-9000000000-eb76e1a919e8ba73aebc PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 15 5.6 56 26 1 10 27 13.5 135 28 0.34 3 29 10.7 107 39 9.1 91 40 1.6 16 41 1.92 19 42 3.6 36 43 90.7 907 44 2.3 23 45 0.19 2 53 1.6 16 55 4.6 46 56 1.7 17 57 0.48 5 58 99.99 999 59 20.1 201 67 1.1 11 68 0.22 2 69 1.6 16 70 3.3 33 71 17.3 173 72 0.25 3 85 6.3 63 86 1.9 19 95 1 10 99 0.1 1 113 4.3 43 128 11.2 112 129 1.5 15 //