MassBank Record: JP001960



 2-METHYLHEPT-6-EN-3-ONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001960
RECORD_TITLE: 2-METHYLHEPT-6-EN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2-METHYLHEPT-6-EN-3-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H14O CH$EXACT_MASS: 126.10447 CH$SMILES: C=CCCC(=O)C(C)C CH$IUPAC: InChI=1S/C8H14O/c1-4-5-6-8(9)7(2)3/h4,7H,1,5-6H2,2-3H3
AC$INSTRUMENT: JEOL JMS-D-3000 AC$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$SPLASH: splash10-0ab9-9000000000-44520ecf09e90d393b14 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 42 3.3 33 43 49.22 492 53 3.68 37 54 1.96 20 55 99.99 999 56 5.16 52 57 1.55 16 67 1.04 10 69 1.47 15 70 1.33 13 71 54.64 546 72 3.49 35 82 1.39 14 83 38.36 384 84 2.31 23 126 5.41 54 //