ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006734
RECORD_TITLE: N-(3,3-DIDEUTERO-4-PHENYLBUTYRYL)PIPERIDIN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N-(3,3-DIDEUTERO-4-PHENYLBUTYRYL)PIPERIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₉NO₂
CH$EXACT_MASS: 245.14158
CH$SMILES: O=C(C2)N(CCC2)C(=O)CC([2H])([2H])Cc(c1)cccc1
CH$IUPAC: InChI=1S/C15H19NO2/c17-14-10-4-5-12-16(14)15(18)11-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2/i6D2
CH$LINK: INCHIKEY VWMYFCUYOIXABI-NCYHJHSESA-N

AC$INSTRUMENT: HITACHI RMU-6G
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9800000000-2c9e0ef08612b7a3bb3b
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  39 5 50
  40 4.5 45
  41 45 450
  42 5 50
  43 7 70
  44 3 30
  45 1 10
  47 6.5 65
  55 6 60
  56 3 30
  57 18.5 185
  58 2 20
  59 1 10
  60 1 10
  63 1 10
  69 1.5 15
  70 5 50
  71 5.5 55
  72 1 10
  75 7 70
  76 46 460
  77 5 50
  78 17 170
  79 1 10
  82 1.5 15
  83 1 10
  84 1 10
  85 3.5 35
  86 1 10
  91 16 160
  92 5 50
  93 2 20
  97 1 10
  98 10.5 105
  99 68 680
  100 37 370
  101 5 50
  102 0.5 5
  103 0.5 5
  104 0.5 5
  105 7.5 75
  106 17 170
  107 6.5 65
  109 1 10
  110 2 20
  111 1 10
  112 3.5 35
  113 67 670
  114 8 80
  118 2 20
  119 2 20
  120 1 10
  130 1 10
  131 1 10
  139 3 30
  141 99.99 999
  142 9 90
  143 1 10
  146 1.5 15
  148 2 20
  149 4.5 45
  156 7 70
  157 1 10
  166 2 20
  177 1 10
  179 0.7 7
  247 8 80
  248 2 20
  249 0.2 2
//