ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY ZMADITLKRZMPTL-UHFFFAOYSA-N
AC$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
//
