ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006723
RECORD_TITLE: N-(2,2,3,3-TETRADEUTERO-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$NAME: N-(2,2,3,3-TETRADEUTERO-3-(4-METHOXYPHENYL)PROPIONYL)PIPERIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₉NO₃
CH$EXACT_MASS: 261.13649
CH$SMILES: COc(c2)ccc(c2)C([2H])([2H])C([2H])([2H])C(=O)N(C1)C(=O)CCC1
CH$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/i7D2,10D2
CH$LINK: INCHIKEY JSQRTBQRPZPFEF-AQVLYMJBSA-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$SPLASH: splash10-000i-1910000000-499c3d61b4007ae47e7e
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  43 1.5 15
  55 1.6 16
  56 1.3 13
  57 2.3 23
  60 1.1 11
  69 2.2 22
  70 1.3 13
  71 2 20
  73 1.4 14
  81 1.6 16
  82 1.3 13
  83 1.7 17
  84 1.1 11
  85 1.1 11
  86 1.2 12
  97 1.2 12
  98 1.2 12
  99 2.3 23
  100 2.4 24
  101 5.5 55
  102 15.5 155
  103 1.2 12
  105 0.4 4
  106 0.4 4
  107 0.8 8
  108 0.9 9
  109 2.5 25
  110 0.9 9
  111 0.8 8
  112 0.5 5
  113 0.5 5
  114 0.6 6
  115 0.4 4
  121 1 10
  122 4.5 45
  123 19 190
  124 2.5 25
  125 0.7 7
  129 0.7 7
  133 0.2 2
  134 3 30
  135 1.5 15
  136 5 50
  137 99.99 999
  138 15.5 155
  139 2.8 28
  140 0.7 7
  142 1 10
  149 2.1 21
  150 0.7 7
  163 0.8 8
  164 1.4 14
  165 10 100
  166 2.1 21
  167 0.7 7
  247 0.5 5
  251 0.8 8
  261 0.2 2
  263 0.2 2
  264 1.7 17
  265 26 260
  266 4.8 48
  267 0.7 7
//