MassBank Record: JP002581



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

ACCESSION: JP002581
RECORD_TITLE: 2-METHYLCYCLOHEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-METHYLCYCLOHEXANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H12O CH$EXACT_MASS: 112.08882 CH$SMILES: CC(C1)C(=O)CCC1 CH$IUPAC: InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
AC$INSTRUMENT: HITACHI RMU-6M AC$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$SPLASH: splash10-014l-9000000000-583da36651420dac2bf9 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 15 2.28 23 26 3.71 37 27 28.82 288 28 15.72 157 29 12.98 130 38 2.1 21 39 27.73 277 40 6.55 66 41 65.39 654 42 35.01 350 43 10.45 105 50 1.67 17 51 2.59 26 52 1.28 13 53 5.45 55 54 33.82 338 55 51.74 517 57 4.39 44 58 3.96 40 67 6.21 62 68 99.99 999 69 39.09 391 70 9.78 98 71 2.68 27 79 2.74 27 81 1.61 16 83 10.48 105 84 27.88 279 85 1.98 20 94 4.26 43 96 1.06 11 97 7.55 76 98 1.52 15 112 42.69 427 113 3.41 34 //