ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003089
RECORD_TITLE: MORPHINE; 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$NAME: Morphine
CH$NAME: (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₉NO₃
CH$EXACT_MASS: 285.1364935
CH$SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
CH$IUPAC: InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
CH$LINK: CAS 57-27-2
CH$LINK: CHEBI 17303
CH$LINK: CHEMSPIDER 4450907
CH$LINK: COMPTOX DTXSID9023336
CH$LINK: INCHIKEY BQJCRHHNABKAKU-KBQPJGBKSA-N
CH$LINK: KEGG C01516
CH$LINK: PUBCHEM CID:5288826

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$SPLASH: splash10-00li-8970000000-28acaf307ce4bc5aabf1
PK$NUM_PEAK: 249
PK$PEAK: m/z int. rel.int.
  25 1 10
  26 3 30
  27 9.2 92
  28 5.52 55
  29 20.8 208
  30 14.2 142
  31 34.1 341
  32 2.15 22
  35 1.1 11
  36 3.9 39
  37 1.4 14
  38 0.02 0
  39 13.4 134
  40 3.2 32
  41 13.2 132
  42 5.84 58
  43 11.1 111
  44 38.1 381
  45 2.1 21
  46 0.02 0
  47 0.4 4
  48 0.4 4
  49 0.5 5
  50 0.03 0
  51 8.9 89
  52 3.9 39
  53 9 90
  54 0.38 4
  55 15.4 154
  56 7.1 71
  57 12.1 121
  58 1.32 13
  59 20.4 204
  60 2.9 29
  61 1 10
  62 0.18 2
  63 6.8 68
  64 3 30
  65 9.8 98
  66 0.36 4
  67 7.1 71
  68 6.7 67
  69 4.8 48
  70 2.81 28
  71 5.1 51
  72 3.1 31
  73 2.4 24
  74 0.21 2
  75 4.7 47
  76 5.7 57
  77 17.6 176
  78 0.08 1
  79 6.9 69
  80 4.9 49
  81 19.4 194
  82 1.08 11
  83 7.4 74
  84 4.1 41
  85 2 20
  86 0.02 0
  87 10.8 108
  88 2 20
  89 6.9 69
  90 0.28 3
  91 12.1 121
  92 3.6 36
  93 3.4 34
  94 1.61 16
  95 5.2 52
  96 14.2 142
  97 3.4 34
  98 0.21 2
  99 1.7 17
  100 1 10
  101 3.7 37
  102 0.43 4
  103 7.2 72
  104 3.8 38
  105 5 50
  106 0.04 0
  107 5.4 54
  108 5 50
  109 8.7 87
  110 0.45 5
  111 2 20
  112 4.4 44
  113 2.2 22
  114 0.31 3
  115 21.9 219
  116 7 70
  117 7.3 73
  118 0.04 0
  119 3.4 34
  120 3.4 34
  121 3.4 34
  122 0.26 3
  123 3.6 36
  124 22.6 226
  125 3.7 37
  126 0.31 3
  127 11.8 118
  128 12.4 124
  129 7.4 74
  130 0.36 4
  131 11 110
  132 5.4 54
  133 3.6 36
  134 0.43 4
  135 2.3 23
  136 4.2 42
  137 2 20
  138 0.19 2
  139 5.9 59
  140 3.1 31
  141 9.2 92
  142 0.03 0
  143 4 40
  144 8.6 86
  145 8 80
  146 1.04 10
  147 7.3 73
  148 4.2 42
  149 3.8 38
  150 0.22 2
  151 4 40
  152 12 120
  153 9.8 98
  154 0.41 4
  155 4.6 46
  156 3 30
  157 5.9 59
  158 0.29 3
  159 3.4 34
  160 5.4 54
  161 9.9 99
  162 6.34 63
  163 10 100
  164 8.8 88
  165 9.3 93
  166 0.34 3
  167 4.4 44
  168 5.2 52
  169 6 60
  170 0.38 4
  171 9.1 91
  172 5.7 57
  173 7.8 78
  174 0.19 2
  175 6.4 64
  176 5.4 54
  177 3 30
  178 0.03 0
  179 3.6 36
  180 4.4 44
  181 12.9 129
  182 0.04 0
  183 6 60
  184 6.7 67
  185 5 50
  186 0.44 4
  187 4 40
  188 2.8 28
  189 2 20
  190 0.26 3
  191 1.7 17
  192 1.4 14
  193 2.9 29
  194 0.21 2
  195 6.9 69
  196 6.7 67
  197 17 170
  198 0.15 2
  199 12.6 126
  200 23.5 235
  201 6.3 63
  202 0.62 6
  203 5 50
  204 3.4 34
  205 3.9 39
  206 0.02 0
  207 2.9 29
  208 2.1 21
  209 5.6 56
  210 0.52 5
  211 7.4 74
  212 3.6 36
  213 5.4 54
  214 1.17 12
  215 34.1 341
  216 12 120
  217 2.4 24
  218 0.11 1
  219 1.7 17
  220 1.4 14
  221 1.6 16
  222 0.18 2
  223 2.9 29
  224 4.2 42
  225 4 40
  226 0.64 6
  227 7.2 72
  228 10.1 101
  229 3.9 39
  230 0.21 2
  231 1.6 16
  232 0.5 5
  233 0.4 4
  234 0.01 0
  235 1.8 18
  236 2 20
  237 2.1 21
  238 0.26 3
  239 2.7 27
  240 4 40
  241 2.6 26
  242 0.71 7
  243 2 20
  244 1 10
  248 0.5 5
  249 0.04 0
  250 1.9 19
  251 1.6 16
  252 3.7 37
  253 0.24 2
  254 3.2 32
  255 1.7 17
  256 8.9 89
  257 0.47 5
  258 1.9 19
  259 0.4 4
  263 0.4 4
  264 0.06 1
  265 0.9 9
  266 14.7 147
  267 15.2 152
  268 1.81 18
  269 4.1 41
  270 5.7 57
  271 1.6 16
  272 0.04 0
  280 0.1 1
  281 0.4 4
  282 1.6 16
  283 0.48 5
  284 21.4 214
  285 99.99 999
  286 20.2 202
  287 0.36 4
  288 0.4 4
//