ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006733
RECORD_TITLE: N-(4,4-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$NAME: N-(4,4-DIDEUTERO-4-PHENYLBUTYRYL)PIPERIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₉NO₂
CH$EXACT_MASS: 245.14158
CH$SMILES: O=C(C2)N(CCC2)C(=O)CCC([2H])([2H])c(c1)cccc1
CH$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/i9D2
CH$LINK: INCHIKEY VWMYFCUYOIXABI-KNXIQCGSSA-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$SPLASH: splash10-0gvo-4900000000-197b0bf29dcb9582896f
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  41 7 70
  42 5.5 55
  43 19 190
  44 3.5 35
  45 3 30
  55 13 130
  56 4.5 45
  57 8 80
  58 9 90
  61 2 20
  69 4 40
  70 7 70
  71 13 130
  72 2.5 25
  76 2.5 25
  81 2.5 25
  82 4 40
  83 4.5 45
  84 3 30
  85 6.5 65
  86 2 20
  91 11 110
  92 7 70
  93 19 190
  94 3 30
  95 2 20
  96 2 20
  97 4.5 45
  98 8 80
  99 36 360
  100 67 670
  101 28 280
  102 2.5 25
  104 5 50
  105 30 300
  106 11 110
  107 6 60
  109 2 20
  111 3 30
  112 6 60
  113 9 90
  114 72 720
  115 7 70
  118 2.5 25
  119 4 40
  125 2 20
  126 2 20
  131 2 20
  139 6 60
  141 12 120
  142 99.99 999
  143 10 100
  147 3 30
  148 3 30
  149 6 60
  154 9 90
  155 4.5 45
  165 1 10
  166 5 50
  167 1 10
  247 7 70
  248 2 20
  249 0.7 7
//