MassBank Record: JP000268



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

ACCESSION: JP000268
RECORD_TITLE: 3-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$NAME: 3-HEPTANONE CH$NAME: ETHYL BUTYL KETONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H14O CH$EXACT_MASS: 114.10447 CH$SMILES: CCCCC(=O)CC CH$IUPAC: InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3
AC$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: splash10-056r-9000000000-4e65dc079db33fe23a4b PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 15 2.2 22 26 3.6 36 27 32 320 28 1.21 12 29 85.8 858 30 1.9 19 31 1.1 11 39 1.17 12 40 1.5 15 41 40.5 405 42 3.9 39 43 2.04 20 51 1.2 12 53 1.9 19 55 4.3 43 56 0.36 4 57 99.99 999 58 4.9 49 71 3.5 35 72 3.69 37 59 2.4 24 86 54.3 543 87 3.4 34 114 2.4 24 115 2.7 27 //