MassBank Record: JP002303



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

ACCESSION: JP002303
RECORD_TITLE: 2,6-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$NAME: 2,6-DIMETHYLCYCLOHEXANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H14O CH$EXACT_MASS: 126.10447 CH$SMILES: CC(C1)C(=O)C(C)CC1 CH$IUPAC: InChI=1S/C8H14O/c1-6-4-3-5-7(2)8(6)9/h6-7H,3-5H2,1-2H3
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$SPLASH: splash10-066u-9100000000-1d2cf5e5c955f0dcbb59 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 40 7.55 76 42 72.66 727 43 31.04 310 44 26.7 267 53 5.84 58 54 5.11 51 55 45.85 459 56 87.62 876 57 15.44 154 58 32.89 329 59 6.18 62 67 6.96 70 68 99.99 999 69 96.15 962 70 16.61 166 83 11.98 120 84 12.37 124 97 10.52 105 98 46 460 111 6.14 61 126 59.6 596 127 5.26 53 //