ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006718
RECORD_TITLE: N-(2,2-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$NAME: N-(2,2-DIDEUTERO-3-PHENYLPROPIONYL)PIPERIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₇NO₂
CH$EXACT_MASS: 231.12593
CH$SMILES: O=C(C2)N(CCC2)C(=O)C([2H])([2H])Cc(c1)cccc1
CH$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/i10D2
CH$LINK: INCHIKEY ZVNUABIDENQZES-KBMKNGFXSA-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$SPLASH: splash10-0zfr-2910000000-726ec8047d8c0a4b68c1
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  55 5 50
  58 7 70
  71 8 80
  91 19 190
  98 9 90
  99 16 160
  100 29 290
  101 99.99 999
  102 12 120
  105 11 110
  106 80 800
  107 23 230
  114 17 170
  132 8 80
  133 8 80
  233 36 360
  234 6 60
  235 1 10
//