ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006678
RECORD_TITLE: 5-ACETOXY-3-METHOXY-4,6-DIMETHYL-(6S)-((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$NAME: 5-ACETOXY-3-METHOXY-4,6-DIMETHYL-(6S)-((2R)-2-METHYLBUTYRYLOXY)-2,4-CYCLOHEXADIEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₂O₆
CH$EXACT_MASS: 310.14164
CH$SMILES: CCC([H])(C)C(=O)OC(C)(C(=O)1)C(OC(C)=O)=C(C)C(OC)=C1
CH$IUPAC: InChI=1S/C16H22O6/c1-7-9(2)15(19)22-16(5)13(18)8-12(20-6)10(3)14(16)21-11(4)17/h8-9H,7H2,1-6H3/t9-,16-/m1/s1
CH$LINK: INCHIKEY ZBFFFQJFHOMIMF-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$SPLASH: splash10-0apl-8910000000-d709955a646d75963c98
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  40 7.5 75
  41 25 250
  42 4.5 45
  43 5.65 57
  44 10.5 105
  45 5 50
  47 3.5 35
  51 0.3 3
  52 3 30
  53 5 50
  55 8 80
  56 0.5 5
  57 99.99 999
  58 5 50
  60 3.5 35
  67 0.35 4
  69 6 60
  73 3 30
  74 15.5 155
  77 0.3 3
  79 3 30
  81 3 30
  83 12.5 125
  85 3.6 36
  87 4 40
  95 4 40
  107 3 30
  109 0.3 3
  117 4.5 45
  119 4.5 45
  123 4.5 45
  124 0.45 5
  125 3 30
  136 3 30
  137 5.5 55
  138 0.75 8
  139 12.5 125
  140 4 40
  141 33 330
  142 0.6 6
  149 4 40
  151 8.5 85
  153 6.5 65
  154 0.3 3
  155 4 40
  156 4 40
  157 4 40
  166 7.9 79
  167 21.5 215
  168 36 360
  169 4 40
  170 0.3 3
  183 25 250
  184 56.5 565
  185 6 60
  210 0.8 8
  226 5 50
  268 26.5 265
  269 4 40
  310 0.75 8
  311 2 20
//