MassBank Record: JP000267



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

ACCESSION: JP000267
RECORD_TITLE: 3-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$NAME: 3-HEXANONE CH$NAME: ETHYL PROPYL KETONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H12O CH$EXACT_MASS: 100.08882 CH$SMILES: CCCC(=O)CC CH$IUPAC: InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
AC$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: splash10-054o-9000000000-5f5fc7b9733f9b4cffbb PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 15 3.3 33 26 4.8 48 27 39.2 392 28 0.91 9 29 67.6 676 30 1.6 16 31 1 10 38 0.16 2 39 12.3 123 40 1.6 16 41 26 260 42 0.53 5 43 99.99 999 44 3.6 36 53 1.5 15 55 0.32 3 56 2.7 27 57 98.7 987 58 3.9 39 71 5.98 60 72 6.1 61 85 3.1 31 86 4.5 45 100 2.76 28 101 2.7 27 //