MassBank Record: JP000262



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

ACCESSION: JP000262
RECORD_TITLE: 2-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$NAME: 2-HEPTANONE CH$NAME: METHYL AMYL KETONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H14O CH$EXACT_MASS: 114.10447 CH$SMILES: CCCCCC(C)=O CH$IUPAC: InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
AC$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: splash10-052f-9000000000-91b562632b96c4162a98 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 15 7.1 71 26 1.4 14 27 15.4 154 28 0.31 3 29 15 150 39 10.2 102 40 1.6 16 41 1.68 17 42 4.1 41 43 99.99 999 44 2.7 27 45 0.4 4 53 1.5 15 55 5.5 55 56 1.6 16 57 0.57 6 58 78.2 782 59 13.3 133 69 1.2 12 71 1.39 14 72 4.5 45 85 4.4 44 99 3.5 35 114 0.98 10 115 1.3 13 //