ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006722
RECORD_TITLE: N-(2,2-DIDEUTERO-3-(4-METHOXYPHENYL)PROPIONYL)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$NAME: N-(2,2-DIDEUTERO-3-(4-METHOXYPHENYL)PROPIONYL)PIPERIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₉NO₃
CH$EXACT_MASS: 261.13649
CH$SMILES: COc(c2)ccc(c2)CC([2H])([2H])C(=O)N(C1)C(=O)CCC1
CH$IUPAC: InChI=1S/C15H19NO3/c1-19-13-8-5-12(6-9-13)7-10-15(18)16-11-3-2-4-14(16)17/h5-6,8-9H,2-4,7,10-11H2,1H3/i10D2
CH$LINK: INCHIKEY JSQRTBQRPZPFEF-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$SPLASH: splash10-000i-0910000000-d3d36cc236db4886c92c
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  55 2 20
  56 1 10
  57 1 10
  77 1 10
  78 1 10
  82 1 10
  91 1 10
  92 1 10
  93 2 20
  98 1.5 15
  99 2.5 25
  100 4 40
  101 17 170
  102 2 20
  105 1 10
  106 1 10
  107 1.5 15
  108 1 10
  109 1 10
  120 1.5 15
  121 25 250
  122 4 40
  132 2.5 25
  134 1 10
  135 10 100
  136 99.99 999
  137 12 120
  162 2 20
  163 6 60
  164 2 20
  263 21 210
  264 5.5 55
  265 1 10
//