ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006737
RECORD_TITLE: N-(2,2,3,3-TETRADEUTERO-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$NAME: N-(2,2,3,3-TETRADEUTERO-4-PHENYLBUTYRYL)PIPERIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₉NO₂
CH$EXACT_MASS: 245.14158
CH$SMILES: O=C(C2)N(CCC2)C(=O)C([2H])([2H])C([2H])([2H])Cc(c1)cccc1
CH$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/i6D2,11D2
CH$LINK: INCHIKEY VWMYFCUYOIXABI-LNPHAEMRSA-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$SPLASH: splash10-0006-5900000000-61148a9bde902b8c5467
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  28 1.7 17
  29 1 10
  30 4 40
  41 0.6 6
  42 3 30
  43 4.3 43
  44 1.7 17
  45 0.15 2
  46 1.7 17
  55 6.5 65
  56 2 20
  57 0.3 3
  58 4 40
  59 2.8 28
  62 1.4 14
  69 0.1 1
  70 4.2 42
  71 7 70
  72 1.2 12
  75 0.2 2
  76 4 40
  77 1.2 12
  78 1.7 17
  82 0.2 2
  83 1 10
  85 1.7 17
  86 1.2 12
  87 0.2 2
  91 17.5 175
  92 5 50
  93 5.1 51
  94 0.1 1
  97 1 10
  98 11 110
  99 32 320
  100 4.4 44
  101 25 250
  102 9.5 95
  105 5.5 55
  106 0.25 3
  107 8 80
  110 1.6 16
  112 1 10
  114 0.6 6
  115 50 500
  116 4.2 42
  118 2 20
  120 0.13 1
  121 1.4 14
  126 1 10
  132 1.1 11
  139 0.16 2
  141 1 10
  142 2.5 25
  143 99.99 999
  144 0.9 9
  145 1.2 12
  149 1 10
  150 3.1 31
  151 0.47 5
  158 3.8 38
  168 3.5 35
  248 0.2 2
  249 0.75 8
  250 2.1 21
  251 0.3 3
//