ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010148
RECORD_TITLE: 1-TRIDEUTEROMETHYL-4-(5-METHOXYCARBONYLHEXANOYL)PIPERAZINE; 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$NAME: 1-TRIDEUTEROMETHYL-4-(5-METHOXYCARBONYLHEXANOYL)PIPERAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H24N2O3
CH$EXACT_MASS: 256.17869
CH$SMILES: COC(=O)C(C)CCCC(=O)N(C1)CCN(C1)C([2H])([2H])[2H]
CH$IUPAC: InChI=1S/C13H24N2O3/c1-11(13(17)18-3)5-4-6-12(16)15-9-7-14(2)8-10-15/h11H,4-10H2,1-3H3/i2D3
CH$LINK: INCHIKEY CMYWFMWDBNLMFJ-BMSJAHLVSA-N
AC$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: splash10-00di-9210000000-4980dcd4333508098456
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  28 7 70
  41 7 70
  42 5 50
  43 0.4 4
  44 4 40
  45 8 80
  46 9 90
  47 0.6 6
  55 7 70
  56 12 120
  57 8 80
  58 0.5 5
  59 4 40
  60 6 60
  61 32 320
  69 0.8 8
  70 5 50
  72 22 220
  73 99.99 999
  74 1.1 11
  85 43 430
  86 6 60
  87 4 40
  97 0.5 5
  99 4 40
  100 4 40
  101 8 80
  102 4.5 45
  103 6 60
  104 13 130
  112 6 60
  126 1.1 11
  129 5 50
  130 4 40
  149 3 30
  157 0.8 8
  158 4 40
  172 8 80
  199 4 40
  200 1.1 11
  201 4 40
  228 17 170
  259 12 120
  260 3 30
//
