ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003099
RECORD_TITLE: 4-ETHOXYCARBONYL-1-METHYL-4-PHENYLPIPERIDINE MEPERIDINE,DEMEROL; 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$NAME: 4-ETHOXYCARBONYL-1-METHYL-4-PHENYLPIPERIDINE MEPERIDINE,DEMEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₁NO₂
CH$EXACT_MASS: 247.15723
CH$SMILES: CCOC(=O)C(C2)(CCN(C)C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
CH$LINK: INCHIKEY XADCESSVHJOZHK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023253

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00dl-9310000000-9f5598127b487d9339dc
PK$NUM_PEAK: 195
PK$PEAK: m/z int. rel.int.
  25 22 220
  26 13.2 132
  27 22 220
  28 4.69 47
  29 8.2 82
  30 4 40
  31 1.9 19
  32 0.14 1
  33 0.1 1
  34 0.2 2
  35 0.1 1
  36 0.09 1
  37 1.2 12
  38 1.6 16
  39 6.8 68
  40 0.22 2
  41 6.4 64
  42 49 490
  43 31 310
  45 0.21 2
  46 0.2 2
  47 0.1 1
  48 0.1 1
  49 0.02 0
  50 3.4 34
  51 8.2 82
  52 3.6 36
  53 0.46 5
  54 1.9 19
  55 2.9 29
  56 5.1 51
  57 3.31 33
  58 12.8 128
  59 1.2 12
  60 0.4 4
  61 0.08 1
  62 1.4 14
  63 3.9 39
  64 1.7 17
  65 0.45 5
  66 1.2 12
  67 1.6 16
  68 1.7 17
  69 0.13 1
  70 54 540
  71 99.99 999
  72 7.1 71
  73 0.08 1
  74 1.4 14
  75 2 20
  76 2.9 29
  77 0.12 1
  78 6 60
  79 3.8 38
  80 1.5 15
  81 0.18 2
  82 2.6 26
  83 1.8 18
  84 1.4 14
  85 0.08 1
  86 1 10
  87 2 20
  88 0.6 6
  89 0.27 3
  90 1 10
  91 18 180
  92 2.2 22
  93 0.08 1
  94 2.6 26
  95 1 10
  96 11.9 119
  97 0.02 0
  98 1 10
  99 1.4 14
  100 1 10
  101 0.12 1
  102 4.7 47
  103 16 160
  104 4 40
  105 0.27 3
  106 1.2 12
  107 1.4 14
  108 1.2 12
  109 0.08 1
  110 0.4 4
  111 0.2 2
  112 0.4 4
  113 0.06 1
  114 0.8 8
  115 12.9 129
  116 5.8 58
  117 0.05 1
  118 2.1 21
  119 1.2 12
  120 1.4 14
  121 0.46 5
  122 1.4 14
  123 0.2 2
  124 0.1 1
  125 0.01 0
  126 1.5 15
  127 4 40
  128 7.4 74
  129 0.81 8
  130 4.2 42
  131 8.1 81
  132 2.4 24
  133 0.01 0
  134 1 10
  135 0.4 4
  136 0.4 4
  137 0.02 0
  138 0.1 1
  139 0.4 4
  140 7.4 74
  141 0.24 2
  142 1.8 18
  143 2.3 23
  144 3.6 36
  145 0.12 1
  146 1.4 14
  147 0.8 8
  148 0.4 4
  149 0.12 1
  150 0.1 1
  151 0.1 1
  152 0.4 4
  153 0.05 1
  154 3.2 32
  155 7.1 71
  156 3.3 33
  157 0.27 3
  158 4.7 47
  159 1.9 19
  160 0.8 8
  161 0.05 1
  162 1.1 11
  163 0.4 4
  164 0.1 1
  165 0.02 0
  166 0.4 4
  167 1.4 14
  168 1.4 14
  169 0.42 4
  170 2.4 24
  171 1.1 11
  172 29.5 295
  173 0.69 7
  174 14.2 142
  175 4.1 41
  176 1.1 11
  177 0.15 2
  178 0.4 4
  179 0.2 2
  180 0.2 2
  181 0.02 0
  182 0.2 2
  183 0.4 4
  184 0.6 6
  185 0.07 1
  186 0.6 6
  187 0.4 4
  188 0.3 3
  189 0.04 0
  190 3.4 34
  191 1 10
  192 0.2 2
  193 0.01 0
  198 0.2 2
  199 0.1 1
  200 0.7 7
  201 0.04 0
  202 2.1 21
  203 0.4 4
  204 0.5 5
  205 0.02 0
  213 0.8 8
  214 1.1 11
  215 1.2 12
  216 0.02 0
  217 0.1 1
  218 13.4 134
  219 3.1 31
  220 0.01 0
  232 6.8 68
  233 1.6 16
  234 0.2 2
  235 0.01 0
  245 0.6 6
  246 14.7 147
  247 22 220
  248 0.42 4
  249 0.7 7
  250 0.2 2
  251 0.1 1
//