MassBank Record: JP000761



 2-METHOXY-3,7-DIMETHYLCYCLOHEPTA-2,4,6-TRIEN-1-ONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000761
RECORD_TITLE: 2-METHOXY-3,7-DIMETHYLCYCLOHEPTA-2,4,6-TRIEN-1-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-METHOXY-3,7-DIMETHYLCYCLOHEPTA-2,4,6-TRIEN-1-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12O2 CH$EXACT_MASS: 164.08373 CH$SMILES: COC(=C(C)1)C(=O)C(C)=CC=C1 CH$IUPAC: InChI=1S/C10H12O2/c1-7-5-4-6-8(2)10(12-3)9(7)11/h4-6H,1-3H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03ml-6900000000-76c7bb5903b9243be76b PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 51 10 100 52 9.5 95 53 23 230 55 0.4 4 63 5 50 65 21 210 66 5 50 67 0.35 4 77 58 580 78 22 220 79 12 120 89 0.4 4 91 89 890 92 10 100 93 15 150 103 1.4 14 104 7.5 75 105 26 260 106 10 100 107 0.9 9 115 6 60 116 5 50 117 17 170 118 3 30 119 14 140 121 68 680 122 10.5 105 131 0.35 4 132 3 30 133 21 210 134 21 210 135 2.2 22 136 9 90 145 6 60 146 15 150 149 0.5 5 164 99.99 999 165 14 140 //