MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010051
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
//