ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006736
RECORD_TITLE: N-(3,3,4,4-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$NAME: N-(3,3,4,4-TETRADEUTERO-4-PHENYLBUTYRYL)PIPERIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₉NO₂
CH$EXACT_MASS: 245.14158
CH$SMILES: O=C(C2)N(CCC2)C(=O)CC([2H])([2H])C([2H])([2H])c(c1)cccc1
CH$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/i6D2,9D2
CH$LINK: INCHIKEY VWMYFCUYOIXABI-NJTUDRHMSA-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$SPLASH: splash10-0006-4900000000-9f65184ff409867c4f16
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  30 2 20
  41 1 10
  42 1.5 15
  43 0.32 3
  44 4.2 42
  45 4.5 45
  55 4.5 45
  56 0.3 3
  57 10 100
  58 6 60
  70 4.2 42
  71 0.25 3
  72 2.5 25
  73 1 10
  82 2.5 25
  85 0.18 2
  86 4.2 42
  91 2.7 27
  92 6 60
  93 1.8 18
  94 3 30
  98 4.5 45
  99 27 270
  100 6.9 69
  101 32 320
  102 3.2 32
  106 1 10
  107 1.3 13
  108 3 30
  109 2.6 26
  113 7 70
  114 8.6 86
  115 6.5 65
  119 1 10
  120 2 20
  121 0.16 2
  132 1.8 18
  141 9.5 95
  142 99.99 999
  143 0.9 9
  144 1 10
  149 0.7 7
  150 0.9 9
  151 0.45 5
  156 7.5 75
  249 5.5 55
  250 2 20
  251 0.26 3
  252 0.3 3
//