ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006717
RECORD_TITLE: N-(3,3-DIDEUTERO-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$NAME: N-(3,3-DIDEUTERO-3-PHENYLPROPIONYL)PIPERIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₇NO₂
CH$EXACT_MASS: 231.12593
CH$SMILES: O=C(C2)N(CCC2)C(=O)CC([2H])([2H])c(c1)cccc1
CH$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
CH$LINK: INCHIKEY ZVNUABIDENQZES-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$SPLASH: splash10-0zfr-2920000000-d5c83a29c3a28d90d544
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  55 8 80
  56 6 60
  57 4 40
  70 2 20
  71 6 60
  72 3 30
  78 2 20
  79 3 30
  80 2 20
  81 3 30
  82 5 50
  83 1 10
  84 5 50
  85 2 20
  91 2 20
  92 2 20
  93 26 260
  94 2 20
  98 6 60
  99 14 140
  100 52 520
  101 99.99 999
  102 10 100
  104 4 40
  105 70 700
  106 19 190
  107 19 190
  112 16 160
  113 5 50
  114 2 20
  132 4 40
  133 9 90
  134 7 70
  135 2 20
  140 4 40
  141 3 30
  233 36 360
  234 19 190
  235 17 170
  236 3 30
//