ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006662
RECORD_TITLE: 3,5-DIMETHOXY-2,6-DIMETHYL-(6R)-((2R)-2-METHYLBUTYRYLOXY)-2,4-CYCLOHEXADIEN-1-ONE; 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$NAME: 3,5-DIMETHOXY-2,6-DIMETHYL-(6R)-((2R)-2-METHYLBUTYRYLOXY)-2,4-CYCLOHEXADIEN-1-ONE
CH$NAME: WASABIDIENONE-A METHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O5
CH$EXACT_MASS: 282.14672
CH$SMILES: CCC([H])(C)C(=O)OC(C)(C(=O)1)C(OC)=C([H])C(OC)=C(C)1
CH$IUPAC: InChI=1S/C15H22O5/c1-7-9(2)14(17)20-15(4)12(19-6)8-11(18-5)10(3)13(15)16/h8-9H,7H2,1-6H3/t9-,15-/m1/s1
CH$LINK: INCHIKEY MDMXRNQKNMWNRD-RFAUZJTJSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0a4i-3900000000-fc58bddac7dd0196f99c
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  39 2 20
  41 7 70
  42 1 10
  43 1 10
  53 1 10
  55 2 20
  57 55 550
  58 0.3 3
  59 2 20
  67 2 20
  69 2 20
  77 0.2 2
  82 2 20
  83 3 30
  84 1 10
  85 1.1 11
  91 1 10
  95 2 20
  105 2 20
  106 0.1 1
  107 1 10
  108 1 10
  123 2 20
  125 0.1 1
  127 1 10
  137 1 10
  138 3 30
  139 0.1 1
  140 2 20
  141 2 20
  149 1 10
  151 0.1 1
  153 4.5 45
  154 1 10
  155 99.99 999
  156 1 10
  157 1 10
  165 1 10
  166 15.5 155
  167 0.3 3
  168 1 10
  169 7 70
  170 1 10
  181 0.15 2
  182 3 30
  183 3 30
  184 1.5 15
  197 0.4 4
  198 39 390
  199 3.5 35
  205 1.5 15
  239 0.15 2
  282 16 160
  283 2.5 25
//
