MassBank Record: JP002251



 2-(1,3-DIMETHYL-3-BUTENYL)CYCLOHEXANONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002251
RECORD_TITLE: 2-(1,3-DIMETHYL-3-BUTENYL)CYCLOHEXANONE; 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$NAME: 2-(1,3-DIMETHYL-3-BUTENYL)CYCLOHEXANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H20O CH$EXACT_MASS: 180.15142 CH$SMILES: CC(=C)CC(C)C(C1)C(=O)CCC1 CH$IUPAC: InChI=1S/C12H20O/c1-9(2)8-10(3)11-6-4-5-7-12(11)13/h10-11H,1,4-8H2,2-3H3
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$SPLASH: splash10-06r2-4900000000-7e6214bf9210221be420 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 55 14.89 149 67 9.57 96 70 9.09 91 79 7.09 71 81 6.09 61 82 8.02 80 83 37.15 372 91 9.46 95 93 8.76 88 97 8.02 80 98 63.17 632 105 67.68 677 106 11.42 114 107 8.57 86 119 30.31 303 120 27.65 277 125 22.36 224 133 13.38 134 137 7.72 77 145 7.06 71 147 70.83 708 148 9.02 90 162 99.99 999 163 11.9 119 180 11.6 116 //