MassBank Record: JP000269



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

ACCESSION: JP000269
RECORD_TITLE: 4-HEPTANONE; 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$NAME: 4-HEPTANONE CH$NAME: DIPROPYL KETONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H14O CH$EXACT_MASS: 114.10447 CH$SMILES: CCCC(=O)CCC CH$IUPAC: InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
AC$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: splash10-0006-9000000000-87f6dc51de91b8902d69 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 15 2.2 22 26 1.5 15 27 21.7 217 28 0.31 3 29 3.7 37 39 10.5 105 40 1.5 15 41 2.33 23 42 4.2 42 43 99.99 999 44 3.4 34 55 0.26 3 57 2.1 21 58 6.8 68 70 1.5 15 71 8.54 85 72 4 40 86 1.4 14 99 2.2 22 114 1.5 15 115 1.5 15 //