ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002815
RECORD_TITLE: NARCOTINE; 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$NAME: NARCOTINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₃NO₇
CH$EXACT_MASS: 413.14745
CH$SMILES: CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
CH$IUPAC: InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
CH$LINK: INCHIKEY AKNNEGZIBPJZJG-MSOLQXFVSA-N
CH$LINK: COMPTOX DTXSID4023385

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$SPLASH: splash10-00di-6690000000-eb22e6a1457516efbef3
PK$NUM_PEAK: 169
PK$PEAK: m/z int. rel.int.
  25 0.2 2
  26 1.4 14
  27 2.4 24
  28 1.61 16
  29 2.7 27
  30 2 20
  31 0.9 9
  32 0.32 3
  35 0.9 9
  36 4.1 41
  37 1 10
  38 0.17 2
  39 4.9 49
  40 1 10
  41 4.9 49
  42 0.08 1
  43 2.9 29
  44 5.4 54
  45 0.8 8
  49 0.04 0
  50 2.9 29
  51 6.1 61
  52 2 20
  53 0.21 2
  54 0.8 8
  55 3.4 34
  56 1.4 14
  57 0.31 3
  58 0.9 9
  59 0.4 4
  60 0.4 4
  61 0.09 1
  62 2 20
  63 4.1 41
  64 2.2 22
  65 0.41 4
  66 1.7 17
  67 2.1 21
  68 0.9 9
  69 0.18 2
  70 1.8 18
  71 1.4 14
  72 0.2 2
  73 0.09 1
  74 1.8 18
  75 2.7 27
  76 3.1 31
  77 0.92 9
  78 4.7 47
  79 3.9 39
  80 1.4 14
  81 0.02 0
  82 1 10
  83 1.4 14
  84 0.9 9
  85 0.11 1
  86 0.4 4
  87 0.2 2
  88 0.4 4
  89 0.03 0
  90 2.9 29
  91 5.2 52
  92 3 30
  93 0.24 2
  94 1.7 17
  95 2 20
  96 0.9 9
  97 0.12 1
  98 0.4 4
  99 0.1 1
  100 0.2 2
  101 0.04 0
  102 1.8 18
  103 1.4 14
  104 2.6 26
  105 0.05 1
  106 2.6 26
  107 2.9 29
  108 1.2 12
  109 0.01 0
  110 0.2 2
  111 0.1 1
  113 0.1 1
  114 0.02 0
  115 1 10
  116 1.3 13
  117 2.6 26
  118 0.59 6
  119 5.4 54
  120 5 50
  121 4.2 42
  122 0.04 0
  123 1.4 14
  124 0.2 2
  125 0.1 1
  127 0.02 0
  128 0.4 4
  129 0.9 9
  130 1.8 18
  131 0.19 2
  132 2.1 21
  133 2.6 26
  134 2 20
  135 0.29 3
  136 1.4 14
  137 0.4 4
  142 0.1 1
  143 0.02 0
  144 0.4 4
  145 1.4 14
  146 2 20
  147 0.97 10
  148 6 60
  149 4 40
  150 3.1 31
  151 0.12 1
  152 0.4 4
  153 0.2 2
  157 0.2 2
  158 0.22 2
  159 1.4 14
  160 1.6 16
  161 1.1 11
  162 0.14 1
  163 4.6 46
  164 1.1 11
  165 5.9 59
  166 0.01 0
  167 0.4 4
  168 0.2 2
  173 0.4 4
  174 0.14 1
  175 1.9 19
  176 5.7 57
  177 5 50
  178 0.84 8
  179 1.8 18
  180 0.2 2
  185 0.7 7
  186 0.04 0
  187 0.4 4
  188 2.2 22
  189 1.4 14
  190 0.16 2
  191 1.2 12
  192 0.9 9
  193 2.6 26
  194 0.41 4
  195 1.1 11
  196 0.2 2
  197 0.2 2
  202 0.04 0
  203 4.9 49
  204 2.8 28
  205 24.7 247
  206 0.42 4
  207 1.2 12
  208 0.2 2
  209 0.2 2
  210 0.01 0
  211 0.4 4
  217 0.8 8
  218 5 50
  219 0.03 0
  220 99.99 999
  221 18.2 182
  222 2.6 26
  223 0.09 1
  413 0.2 2
//