ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006713
RECORD_TITLE: N-(2,2-DIDEUTERO-2-PHENYLACETYL)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$NAME: N-(2,2-DIDEUTERO-2-PHENYLACETYL)PIPERIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₅NO₂
CH$EXACT_MASS: 217.11028
CH$SMILES: O=C(C2)N(CCC2)C(=O)C([2H])([2H])c(c1)cccc1
CH$IUPAC: InChI=1S/C13H15NO2/c15-12-8-4-5-9-14(12)13(16)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2/i10D2
CH$LINK: INCHIKEY JUSPZFQXNGGUEY-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$SPLASH: splash10-014i-3900000000-846de782dce3bc54f96d
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  55 13.5 135
  56 4.5 45
  70 1 10
  82 3.2 32
  90 1.3 13
  91 13 130
  92 2.2 22
  93 14 140
  94 1.3 13
  98 2.3 23
  99 1.2 12
  100 0.8 8
  101 1.7 17
  102 13.5 135
  103 1.2 12
  107 0.8 8
  118 4.4 44
  119 99.99 999
  120 10 100
  121 0.9 9
  126 0.7 7
  218 0.7 7
  219 7 70
  220 1.3 13
  221 0.2 2
//