ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010094
RECORD_TITLE: 1-TRIDEUTERIOMETHYL-4(6-(3,7-DIMETHYL-2,6-OCTADIENYL-10-HYDROXY-5,9-DIMETHYL-1-OXO-DECA-4-EN-1-YL)-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$NAME: 1-TRIDEUTERIOMETHYL-4(6-(3,7-DIMETHYL-2,6-OCTADIENYL-10-HYDROXY-5,9-DIMETHYL-1-OXO-DECA-4-EN-1-YL)-PIPERADINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C27H48N2O2
CH$EXACT_MASS: 432.37158
CH$SMILES: OCC(C)CCC(CC=C(C)CCC=C(C)C)C(C)=CCCC(=O)N(C1)CCN(C1)C([2H])([2H])[2H]
CH$IUPAC: InChI=1S/C27H48N2O2/c1-22(2)9-7-10-23(3)13-15-26(16-14-24(4)21-30)25(5)11-8-12-27(31)29-19-17-28(6)18-20-29/h9,11,13,24,26,30H,7-8,10,12,14-21H2,1-6H3/b23-13-,25-11-/i6D3
CH$LINK: INCHIKEY GTWPATCKPNRMQH-PUXXHZLSSA-N
AC$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: splash10-0udi-9521100000-d2911f01d260b9dcf280
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  29 2.13 21
  32 5.82 58
  41 28.41 284
  43 16.6 166
  45 14.56 146
  46 11.99 120
  47 17.64 176
  55 16.35 164
  56 21.52 215
  57 15.17 152
  60 29.1 291
  61 39.71 397
  67 13.42 134
  69 47.67 477
  72 12.68 127
  73 40.6 406
  74 12.13 121
  81 17.6 176
  85 23.25 233
  93 12.27 123
  95 10.82 108
  96 5.06 51
  100 16.12 161
  101 52.64 526
  102 35.15 352
  103 12.89 129
  104 99.99 999
  105 12.26 123
  130 23.06 231
  145 11.73 117
  147 7.56 76
  212 49.27 493
  213 18.48 185
  214 9.92 99
  282 4.61 46
  298 37.01 370
  299 10.82 108
  341 7.82 78
  355 5.06 51
  366 31.9 319
  367 10.83 108
  429 4.36 44
  433 8.26 83
  435 37.81 378
  436 14.14 141
//
