ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007244
RECORD_TITLE: 5-ACETOXY-1-(4-ACETOXY-3-METHOXYPHENYL)DECAN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 5-ACETOXY-1-(4-ACETOXY-3-METHOXYPHENYL)DECAN-3-ONE
CH$NAME: 6-GINGEROL DIACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₀O₆
CH$EXACT_MASS: 378.20424
CH$SMILES: CCCCCC(OC(C)=O)CC(=O)CCc(c1)cc(OC)c(OC(C)=O)c1
CH$IUPAC: InChI=1S/C21H30O6/c1-5-6-7-8-19(26-15(2)22)14-18(24)11-9-17-10-12-20(27-16(3)23)21(13-17)25-4/h10,12-13,19H,5-9,11,14H2,1-4H3
CH$LINK: INCHIKEY PBYHUELMIHUJFS-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-2922000000-e533c4bf8549b54c1fd9
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
  39 0.8 8
  41 1.7 17
  43 15.8 158
  44 0.17 2
  45 4.2 42
  55 21.7 217
  57 5 50
  67 0.25 3
  69 1.7 17
  70 3.3 33
  71 3.3 33
  81 0.25 3
  82 1.7 17
  83 2.5 25
  84 2.5 25
  85 0.17 2
  91 4.2 42
  95 1.7 17
  96 1.7 17
  97 0.42 4
  98 1.7 17
  99 1.7 17
  104 2.5 25
  107 0.42 4
  108 2.5 25
  111 1.7 17
  117 1.7 17
  119 0.75 8
  120 1.7 17
  121 2.5 25
  122 2.5 25
  123 0.17 2
  124 3.3 33
  125 5.8 58
  126 1.7 17
  129 0.17 2
  131 3.3 33
  133 0.8 8
  135 3.3 33
  136 1.58 16
  137 99.99 999
  138 10.8 108
  139 0.8 8
  140 0.25 3
  141 1.7 17
  143 2.5 25
  145 3.3 33
  149 0.42 4
  150 54.2 542
  151 20.8 208
  152 2.5 25
  153 0.17 2
  160 1.7 17
  161 2.5 25
  163 3.3 33
  167 0.17 2
  175 2.5 25
  177 5 50
  178 6.6 66
  179 0.55 6
  191 2.5 25
  192 5 50
  193 1.7 17
  194 0.25 3
  195 1.7 17
  196 0.8 8
  197 0.8 8
  202 0.17 2
  205 36.7 367
  206 4.2 42
  218 0.8 8
  219 0.08 1
  220 0.8 8
  221 1.7 17
  222 1.7 17
  226 0.17 2
  233 0.8 8
  239 0.8 8
  245 0.8 8
  247 0.08 1
  249 0.8 8
  270 0.8 8
  275 1.7 17
  276 7.08 71
  277 14.2 142
  278 2.5 25
  294 1.7 17
  296 0.08 1
  298 0.8 8
  299 0.8 8
  315 0.8 8
  318 0.42 4
  319 1.7 17
  320 0.8 8
  336 56.7 567
  337 1.42 14
  338 1.7 17
  339 0.8 8
  368 0.8 8
  378 0.5 5
  379 1.7 17
//