ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006738
RECORD_TITLE: N-(2,2,3,3,4,4-HEXADEUTERO-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$NAME: N-(2,2,3,3,4,4-HEXADEUTERO-4-PHENYLBUTYRYL)PIPERIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₉NO₂
CH$EXACT_MASS: 245.14158
CH$SMILES: O=C(C2)N(CCC2)C(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])c(c1)cccc1
CH$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/i6D2,9D2,11D2
CH$LINK: INCHIKEY VWMYFCUYOIXABI-BAZNXXDDSA-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$SPLASH: splash10-0fr6-3900000000-cc3d12c2c0fbe5387def
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  28 1.5 15
  30 4 40
  41 2 20
  42 0.2 2
  43 3 30
  44 3 30
  45 3 30
  46 0.3 3
  47 3 30
  55 5.5 55
  56 2.6 26
  57 0.22 2
  58 9 90
  59 1.7 17
  60 7 70
  63 0.1 1
  69 1 10
  70 4.5 45
  71 2.5 25
  72 0.3 3
  75 1 10
  82 3 30
  83 1 10
  86 0.25 3
  87 1.5 15
  88 2.5 25
  91 1.5 15
  92 0.2 2
  93 28 280
  94 7 70
  95 1.5 15
  98 0.45 5
  99 17 170
  100 50 500
  101 40 400
  102 3.8 38
  103 2.8 28
  105 1 10
  106 2.5 25
  107 2.1 21
  108 6 60
  109 4 40
  114 6 60
  115 1.7 17
  116 84 840
  117 7 70
  118 1 10
  121 0.15 2
  122 1.8 18
  123 1.5 15
  130 1 10
  134 0.2 2
  142 2 20
  143 20 200
  144 99.99 999
  145 0.9 9
  146 1 10
  151 1.2 12
  152 1.8 18
  153 0.5 5
  154 1 10
  157 1 10
  158 5 50
  170 0.2 2
  250 1 10
  251 6 60
  252 2 20
  253 0.3 3
  254 0.8 8
//