ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006721
RECORD_TITLE: N-(3,3-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$NAME: N-(3,3-DIDEUTERO-3-(4-METHOXYPHENYL)PROPIONYL)PIPERIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₉NO₃
CH$EXACT_MASS: 261.13649
CH$SMILES: COc(c2)ccc(c2)C([2H])([2H])CC(=O)N(C1)C(=O)CCC1
CH$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
CH$LINK: INCHIKEY JSQRTBQRPZPFEF-RJSZUWSASA-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$SPLASH: splash10-000i-1910000000-0935a6cb4dc4d2cf8cbd
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  43 1.5 15
  45 1 10
  55 1.5 15
  56 1.5 15
  57 3.5 35
  60 1.2 12
  69 3.5 35
  70 1.5 15
  71 2.5 25
  73 1.5 15
  81 3 30
  82 1.5 15
  83 1.5 15
  84 1.5 15
  85 1.5 15
  93 1.1 11
  95 1.3 13
  97 1.3 13
  98 1.5 15
  99 2.5 25
  100 6.5 65
  101 21.5 215
  102 1.8 18
  105 1.2 12
  107 1.5 15
  108 1.7 17
  109 1.7 17
  112 1 10
  113 1.8 18
  120 4.3 43
  121 2 20
  122 2 20
  123 18 180
  124 2 20
  133 3 30
  134 2.2 22
  135 99.99 999
  136 23 230
  137 4 40
  138 1 10
  140 1 10
  149 3.2 32
  162 1.2 12
  163 3.5 35
  164 9.5 95
  261 0.3 3
  262 0.2 2
  263 25 250
  264 4.2 42
  265 0.8 8
//