MassBank Record: JP002482



 7-METHYL-1,6-OCTADIEN-3-ONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002482
RECORD_TITLE: 7-METHYL-1,6-OCTADIEN-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$NAME: 7-METHYL-1,6-OCTADIEN-3-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H14O CH$EXACT_MASS: 138.10447 CH$SMILES: C=CC(=O)CCC=C(C)C CH$IUPAC: InChI=1S/C9H14O/c1-4-9(10)7-5-6-8(2)3/h4,6H,1,5,7H2,2-3H3
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$SPLASH: splash10-0avm-9100000000-0742d60aa2d5e573b58c PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 42 69.1 691 43 15.85 159 53 10.2 102 54 4.71 47 55 99.99 999 56 9.95 100 57 4.13 41 59 10.16 102 67 24.09 241 68 17.45 175 69 32.44 324 70 37.29 373 77 5.67 57 79 8.12 81 81 10.77 108 82 15.03 150 83 26.61 266 93 5.4 54 94 6.48 65 95 41.2 412 96 12.78 128 97 18.17 182 105 6.87 69 109 7.89 79 110 4.29 43 120 6.97 70 121 4.54 45 123 20.48 205 138 9.06 91 //