MassBank Record: JP002302



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

ACCESSION: JP002302
RECORD_TITLE: 2,2-DIMETHYLCYCLOHEXANONE; 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$NAME: 2,2-DIMETHYLCYCLOHEXANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H14O CH$EXACT_MASS: 126.10447 CH$SMILES: O=C(C1)C(C)(C)CCC1 CH$IUPAC: InChI=1S/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3
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$SPLASH: splash10-0apl-9000000000-fe0c8568c4c5c7bdb4a0 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 40 35.61 356 42 49.23 492 43 9.93 99 44 18.95 190 45 1.99 20 51 1.69 17 53 4.96 50 54 3.6 36 55 44.59 446 56 61.64 616 57 7.58 76 58 9.75 98 59 2.88 29 67 11.72 117 68 37.61 376 69 59.84 598 70 14.07 141 71 2.27 23 74 1.67 17 77 1.43 14 79 1.11 11 81 1.77 18 82 99.99 999 83 15.63 156 84 7.26 73 93 1.88 19 95 1.23 12 97 4.43 44 98 16.34 163 99 1.27 13 108 1.22 12 111 3.03 30 126 43 430 127 4 40 //