MassBank Record: JP002374



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

ACCESSION: JP002374
RECORD_TITLE: TRANS-2-BENZYL-6-METHYLCYCLOHEXANONE; 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$NAME: TRANS-2-BENZYL-6-METHYLCYCLOHEXANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H18O CH$EXACT_MASS: 202.13577 CH$SMILES: CC(C2)C(=O)C(CC2)Cc(c1)cccc1 CH$IUPAC: InChI=1S/C14H18O/c1-11-6-5-9-13(14(11)15)10-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13+/m1/s1
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$SPLASH: splash10-0006-9410000000-12e4fff609b10191fdcc PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 43 5.81 58 55 17.25 173 57 6.09 61 65 9.1 91 67 3.92 39 77 4.09 41 83 6.8 68 91 99.99 999 92 15.1 151 104 5.49 55 105 3.15 32 111 8.13 81 115 5.65 57 117 12.75 128 118 3.98 40 129 4.99 50 131 6.04 60 143 5.99 60 145 6.8 68 158 3.28 33 159 13.25 133 187 5.6 56 202 30.4 304 203 4.75 48 //