ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006719
RECORD_TITLE: N-(2,2,3,3-TETRADEUTERO-3-PHENYLPROPIONYL)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$NAME: N-(2,2,3,3-TETRADEUTERO-3-PHENYLPROPIONYL)PIPERIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₇NO₂
CH$EXACT_MASS: 231.12593
CH$SMILES: O=C(C2)N(CCC2)C(=O)C([2H])([2H])C([2H])([2H])c(c1)cccc1
CH$IUPAC: InChI=1S/C14H17NO2/c16-13-8-4-5-11-15(13)14(17)10-9-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2/i9D2,10D2
CH$LINK: INCHIKEY ZVNUABIDENQZES-YQUBHJMPSA-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$SPLASH: splash10-0zfr-1910000000-b20c85ca4690cf5cee73
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  55 5 50
  56 2 20
  57 1.7 17
  58 1.3 13
  70 1 10
  71 3 30
  72 3 30
  82 4.2 42
  86 3.1 31
  91 7 70
  92 1.8 18
  93 24.5 245
  94 2.6 26
  98 2.8 28
  99 12 120
  100 19 190
  101 44 440
  102 99.99 999
  103 7 70
  104 0.6 6
  105 1.5 15
  106 5.5 55
  107 85 850
  108 14 140
  109 17 170
  110 1.7 17
  113 2.3 23
  114 22 220
  115 2.3 23
  132 0.5 5
  133 3.5 35
  134 7 70
  135 7.5 75
  136 1.8 18
  137 2 20
  141 1 10
  142 3.6 36
  143 0.6 6
  179 1.8 18
  180 4 40
  234 4 40
  235 46 460
  236 7.5 75
  237 2 20
//