ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006664
RECORD_TITLE: 2,6-DIMETHYL-5-ETHOXY-3-METHOXY-(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$NAME: 2,6-DIMETHYL-5-ETHOXY-3-METHOXY-(6R)-((2R)-2-METHYLBUTYRYLOXY)-2,4-CYCLOHEXADIEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H24O5
CH$EXACT_MASS: 296.16237
CH$SMILES: CCOC(=C([H])1)C(C)(OC(=O)C(C)CC)C(=O)C(C)=C(OC)1
CH$IUPAC: InChI=1S/C16H24O5/c1-7-10(3)15(18)21-16(5)13(20-8-2)9-12(19-6)11(4)14(16)17/h9-10H,7-8H2,1-6H3/t10-,16-/m1/s1
CH$LINK: INCHIKEY JUMCUINIMOUWNA-QLJPJBMISA-N
AC$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: splash10-015c-4910000000-057158036ab5561b6b76
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  39 10 100
  40 1 10
  41 29 290
  42 0.1 1
  43 40 400
  51 3 30
  52 4 40
  53 0.95 10
  55 10 100
  57 8.3 83
  58 1 10
  65 0.1 1
  67 7 70
  69 8 80
  77 6 60
  79 0.6 6
  80 1 10
  81 5 50
  83 15.5 155
  85 1.3 13
  91 1 10
  93 7 70
  96 1 10
  97 0.1 1
  107 2.5 25
  109 3 30
  111 2.5 25
  123 0.7 7
  124 6 60
  137 3 30
  138 5 50
  139 2.9 29
  140 8 80
  141 32 320
  151 5 50
  155 0.6 6
  166 14 140
  167 18 180
  168 6 60
  169 99.99 999
  170 10 100
  180 3 30
  183 67 670
  184 0.7 7
  196 3 30
  197 1 10
  211 7 70
  212 5.9 59
  213 7 70
  253 2.5 25
  296 38 380
  297 4 40
//
