ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010092
RECORD_TITLE: 1-METHYL-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$NAME: 1-METHYL-4-(6-(3,7-DIMETHYL-2,6-OCTADIENYL)-10-HYDROXY-5,9-DIMETHYL-1-OXO-DECA-4-EN-1-YL)-PIPERADINE
CH$NAME: 1-METHYL-4-(6-(4-HYDROXY-3-METHYLBUTYL)-5,9,13-TRIMETHYL-1-OXO-TETRADECA-4,8,12-TRIEN-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(C)C1
CH$IUPAC: InChI=1S/C27H48N2O2/c1-22(2)9-7-10-23(3)13-15-26(16-14-24(4)21-30)25(5)11-8-12-27(31)29-19-17-28(6)18-20-29/h9,11,13,24,26,30H,7-8,10,12,14-21H2,1-6H3/b23-13+,25-11-
CH$LINK: INCHIKEY GTWPATCKPNRMQH-LDKJWMHBSA-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$SPLASH: splash10-0pba-9320100000-e7650e6098a9b52a4909
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
  27 4.68 47
  29 3.44 34
  30 3.13 31
  31 3.22 32
  39 3.96 40
  41 29.37 294
  42 9.98 100
  43 19.39 194
  44 19.39 194
  53 3.38 34
  55 16.11 161
  56 26.12 261
  57 43.58 436
  58 53.37 534
  59 3.93 39
  67 11.02 110
  68 4.97 50
  69 49 490
  70 66.31 663
  71 11.33 113
  72 7.48 75
  77 4.89 49
  79 6.1 61
  80 4.65 47
  81 20.18 202
  82 3.24 32
  83 21.7 217
  84 3.83 38
  85 8.08 81
  91 3.74 37
  93 8.14 81
  94 3.14 31
  95 7.26 73
  96 1.54 15
  97 11.99 120
  98 66.82 668
  99 48.12 481
  100 11.6 116
  101 99.99 999
  102 5.7 57
  105 2.2 22
  107 3.96 40
  109 5.14 51
  110 2.44 24
  111 4.9 49
  112 3.43 34
  119 4.4 44
  121 3.06 31
  122 2.36 24
  123 4.12 41
  127 16.45 165
  128 2.47 25
  135 3.24 32
  136 2.88 29
  140 4.12 41
  141 3.33 33
  142 10.28 103
  143 2.4 24
  149 5.14 51
  152 4.38 44
  153 2.89 29
  155 9.89 99
  166 8.19 82
  167 2.75 28
  169 2.12 21
  209 63.63 636
  210 18.43 184
  211 6.29 63
  222 3.28 33
  223 4.23 42
  224 4.1 41
  252 2.31 23
  263 1.93 19
  277 11.76 118
  278 3.14 31
  295 19.55 196
  296 5.74 57
  297 2.29 23
  341 1.7 17
  345 2.81 28
  351 2.48 25
  353 41.4 414
  364 10.48 105
  365 1.96 20
  402 1.62 16
  428 1.54 15
  430 5.83 58
  431 2.14 21
  432 51.86 519
  433 16.12 161
  434 3.58 36
//
