MassBank Record: JP010051



 1,1,1-TRIDEUTERIOMETHYL-4-(5,9-DIMETHYL-11-METHOXYCARBONYL-1-OXOUNDECA-4,8-DIENYL)-PIPERADINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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 (2008.10.21, 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 //