MassBank Record: JP002578



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

ACCESSION: JP002578
RECORD_TITLE: 3-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$NAME: 3-OCTANONE CH$NAME: ETHYL PENTYL KETONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H16O CH$EXACT_MASS: 128.12012 CH$SMILES: CCCCCC(=O)CC CH$IUPAC: InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
AC$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: splash10-05bf-9000000000-781901ca764a5f841104 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 15 1.76 18 26 2.3 23 27 29.18 292 28 8.17 82 29 70.91 709 30 1.82 18 39 11.4 114 40 1.89 19 41 22.16 222 42 5.67 57 43 99.99 999 44 3.61 36 51 1.04 10 53 2.24 22 55 9.95 100 56 3.06 31 57 88.8 888 58 4.95 50 71 48.19 482 72 69.8 698 73 7.72 77 81 1.3 13 85 9.64 96 86 2.52 25 99 54.81 548 100 4 40 128 17.83 178 129 1.72 17 //