MassBank Record: JP001948



 2,4,4-TRIMETHYL-6-METHYLENEOCT-7-EN-3-ONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001948
RECORD_TITLE: 2,4,4-TRIMETHYL-6-METHYLENEOCT-7-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$NAME: 2,4,4-TRIMETHYL-6-METHYLENEOCT-7-EN-3-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H20O CH$EXACT_MASS: 180.15142 CH$SMILES: C=CC(=C)CC(C)(C)C(=O)C(C)C CH$IUPAC: InChI=1S/C12H20O/c1-7-10(4)8-12(5,6)11(13)9(2)3/h7,9H,1,4,8H2,2-3,5-6H3
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$SPLASH: splash10-001i-9100000000-7df6bd05557d8eb42e02 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 41 31.78 318 42 4.53 45 43 11.73 117 53 7.37 74 55 13.36 134 56 3.14 31 57 9.59 96 66 4.16 42 67 16.53 165 68 9.63 96 69 34.29 343 70 4.88 49 77 3.16 32 79 3.87 39 81 10.55 106 83 5.73 57 84 99.99 999 85 9.84 98 91 2.93 29 94 5.6 56 95 14.8 148 96 13.52 135 107 4.46 45 109 9.67 97 121 2.9 29 123 4.4 44 124 6.81 68 125 8.83 88 163 3.52 35 180 18.06 181 //