ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006677
RECORD_TITLE: 5-ACETOXY-3-METHOXY-2,6-DIMETHYL-(6R)-((2R)-2-METHYLBUTYRYLOXY)-2,3-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$NAME: 5-ACETOXY-3-METHOXY-2,6-DIMETHYL-(6R)-((2R)-2-METHYLBUTYRYLOXY)-2,3-CYCLOHEXADIEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₂O₆
CH$EXACT_MASS: 310.14164
CH$SMILES: CCC([H])(C)C(=O)OC(C)(C(=O)1)C(OC(C)=O)=CC(OC)=C(C)1
CH$IUPAC: InChI=1S/C16H22O6/c1-7-9(2)15(19)22-16(5)13(21-11(4)17)8-12(20-6)10(3)14(16)18/h8-9H,7H2,1-6H3/t9-,16-/m1/s1
CH$LINK: INCHIKEY KHLPUDAOXGHKTN-JDNHERCYSA-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$SPLASH: splash10-0a4l-9300000000-55143526a198aa6ef951
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  41 21 210
  42 4.5 45
  43 54.5 545
  44 0.45 5
  45 11.5 115
  53 2.5 25
  55 6 60
  56 0.45 5
  57 99.99 999
  58 4.5 45
  59 3 30
  60 0.85 9
  69 4.5 45
  74 22 220
  83 4.5 45
  87 0.55 6
  101 3 30
  127 3 30
  128 3 30
  139 0.7 7
  140 3 30
  141 11 110
  142 11 110
  154 0.3 3
  157 12.5 125
  166 12 120
  167 4 40
  168 0.7 7
  169 3 30
  170 3 30
  182 2 20
  183 0.6 6
  184 18 180
  185 2 20
  205 2 20
  210 0.15 2
  212 1.5 15
  241 1.5 15
  258 4.5 45
  310 1 10
//