ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010051
RECORD_TITLE: 1,1,1-TRIDEUTERIOMETHYL-4-(5,9-DIMETHYL-11-METHOXYCARBONYL-1-OXOUNDECA-4,8-DIENYL)-PIPERADINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 1,1,1-TRIDEUTERIOMETHYL-4-(5,9-DIMETHYL-11-METHOXYCARBONYL-1-OXOUNDECA-4,8-DIENYL)-PIPERADINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₄N₂O₃
CH$EXACT_MASS: 350.25694
CH$SMILES: COC(=O)CCC(C)=CCCC(C)=CCCC(=O)N(C1)CCN(C1)C([2H])([2H])[2H]
CH$IUPAC: InChI=1S/C20H34N2O3/c1-17(7-5-8-18(2)11-12-20(24)25-4)9-6-10-19(23)22-15-13-21(3)14-16-22/h8-9H,5-7,10-16H2,1-4H3/b17-9+,18-8-/i3D3
CH$LINK: INCHIKEY NCVBXHMUXQRVJI-MNWKKPFGSA-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$SPLASH: splash10-0w29-9651000000-ba28f5fde72a49d1b565
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  28 5.39 54
  41 7.9 79
  42 4.97 50
  43 7.11 71
  44 3.07 31
  45 7.62 76
  46 7.62 76
  47 9.89 99
  55 8.8 88
  56 16.16 162
  57 7.95 80
  58 8.89 89
  59 5.91 59
  60 18.27 183
  61 30.13 301
  67 8.75 88
  70 8.74 87
  72 9.29 93
  73 42.48 425
  74 7.63 76
  79 4.43 44
  81 25.39 254
  85 10.52 105
  98 5.79 58
  99 12.72 127
  100 8.18 82
  101 38.99 390
  102 30.37 304
  103 7.66 77
  104 61.08 611
  105 4.45 45
  109 8.04 80
  130 16.07 161
  141 5.25 53
  145 4.49 45
  152 5.74 57
  158 5.63 56
  166 20.78 208
  207 5.28 53
  209 12.36 124
  212 99.99 999
  214 18.37 184
  280 26.81 268
  281 5.93 59
  322 8.14 81
  350 3.33 33
  351 4.1 41
  353 29.45 295
  354 6.86 69
//