ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003840
RECORD_TITLE: 3-ETHYL-3-PHENYL-2,6-PIPERIDINEDIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 3-ETHYL-3-PHENYL-2,6-PIPERIDINEDIONE
CH$NAME: GLUTETHIMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₅NO₂
CH$EXACT_MASS: 217.11028
CH$SMILES: CCC(C2)(C(=O)NC(=O)C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)
CH$LINK: INCHIKEY JMBQKKAJIKAWKF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1023102

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014r-4900000000-8d3add816c0b57475d49
PK$NUM_PEAK: 96
PK$PEAK: m/z int. rel.int.
  38 2.4 24
  39 28.1 281
  40 3.6 36
  41 1.27 13
  42 7.9 79
  43 2.4 24
  44 6.4 64
  45 0.09 1
  50 8.4 84
  51 25.8 258
  52 7.4 74
  53 0.84 8
  54 7.4 74
  55 8.9 89
  56 1.9 19
  57 0.19 2
  58 2.9 29
  59 5.1 51
  62 4 40
  63 1.44 14
  64 4.9 49
  65 14.9 149
  66 2.4 24
  67 0.29 3
  68 1.4 14
  69 1.4 14
  70 2.4 24
  71 0.11 1
  72 0.9 9
  73 1.4 14
  74 3.4 34
  75 0.47 5
  76 6 60
  77 30.4 304
  78 15.1 151
  79 0.44 4
  80 1.4 14
  82 4.4 44
  86 1.1 11
  87 0.29 3
  88 1.9 19
  89 13.9 139
  90 3.7 37
  91 4.79 48
  92 4.9 49
  101 1.9 19
  102 9.9 99
  103 2.69 27
  104 9.7 97
  105 6.9 69
  106 1.9 19
  112 0.09 1
  113 1.9 19
  114 2.7 27
  115 51.4 514
  116 1.69 17
  117 99.99 999
  118 14.9 149
  119 2.4 24
  120 0.09 1
  126 1.2 12
  127 3.7 37
  128 8 80
  129 0.99 10
  130 5.9 59
  131 11.9 119
  132 55.5 555
  133 0.69 7
  134 0.9 9
  140 0.9 9
  141 1.4 14
  142 0.11 1
  143 1.9 19
  144 2.9 29
  145 4.4 44
  146 0.69 7
  147 3.9 39
  148 0.9 9
  157 4.9 49
  158 0.11 1
  159 2.9 29
  160 44.9 449
  161 10.9 109
  162 0.19 2
  172 2.9 29
  173 1.1 11
  174 2.4 24
  175 0.11 1
  188 3.9 39
  189 89 890
  190 11.9 119
  191 0.19 2
  202 4.4 44
  203 0.9 9
  217 9.2 92
  218 1.9 19
//