ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006671
RECORD_TITLE: 5-HYDROXY-3-METHOXY-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$NAME: 5-HYDROXY-3-METHOXY-2,6-DIMETHYL-(6R)-((2R)-2-METHYLBUTYRYLOXY)-2,4-CYCLOHEXADIEN-1-ONE
CH$NAME: WASABIDIENONE-A
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₀O₅
CH$EXACT_MASS: 268.13107
CH$SMILES: CCC([H])(C)C(=O)OC(C)(C(O)=1)C(=O)C(C)=C(OC)C1
CH$IUPAC: InChI=1S/C14H20O5/c1-6-8(2)13(17)19-14(4)11(15)7-10(18-5)9(3)12(14)16/h7-8,15H,6H2,1-5H3/t8-,14-/m1/s1
CH$LINK: INCHIKEY FLRPGUPKHDJDQL-XLKFXECMSA-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$SPLASH: splash10-0a5l-7900000000-b34de947c604bd91a2ab
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  40 3 30
  41 4 40
  43 12 120
  44 0.3 3
  56 2 20
  57 99.99 999
  58 8 80
  69 0.2 2
  74 4 40
  81 4 40
  85 50 500
  86 0.4 4
  87 2 20
  91 5 50
  95 2 20
  110 0.2 2
  111 1 10
  112 3 30
  113 4 40
  123 0.2 2
  124 5 50
  126 1 10
  127 3 30
  137 0.2 2
  138 5 50
  139 5 50
  140 4 40
  141 3.2 32
  142 57 570
  143 5 50
  151 2 20
  153 0.2 2
  155 3 30
  156 1 10
  157 1 10
  166 1.1 11
  167 5 50
  168 7 70
  169 13 130
  170 0.3 3
  181 7 70
  182 8 80
  183 90 900
  184 1.2 12
  185 1 10
  206 4 40
  268 7 70
  269 1 10
//