MassBank Record: WA001091



 Morphine; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA001091
RECORD_TITLE: Morphine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

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$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: RETENTION_TIME 3.350 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0pc9-0930000000-1b4b449001a79db47954 PK$NUM_PEAK: 131 PK$PEAK: m/z int. rel.int. 100 12 12 103 35 35 105 59 59 107 106 106 108 43 43 109 20 20 110 31 31 114 125 125 115 98 98 117 172 172 118 20 20 120 20 20 121 102 102 123 231 231 124 24 24 127 24 24 128 67 67 129 90 90 131 106 106 132 63 63 133 51 51 134 31 31 135 31 31 136 12 12 140 12 12 141 129 129 142 24 24 143 102 102 144 67 67 145 498 498 146 55 55 147 427 427 148 35 35 149 31 31 150 16 16 152 43 43 153 733 733 154 78 78 155 764 764 156 39 39 157 607 607 158 118 118 159 74 74 160 118 118 161 114 114 162 63 63 163 27 27 164 12 12 165 893 893 166 223 223 167 71 71 168 74 74 169 149 149 170 16 16 171 290 290 172 27 27 173 537 537 174 71 71 175 43 43 176 31 31 178 106 106 179 129 129 181 960 960 182 110 110 183 791 791 184 176 176 185 831 831 186 165 165 187 149 149 188 31 31 189 43 43 190 43 43 191 270 270 192 24 24 193 317 317 194 125 125 195 59 59 196 12 12 197 86 86 198 114 114 199 321 321 200 35 35 201 995 995 202 125 125 203 43 43 204 16 16 205 16 16 206 27 27 207 82 82 209 639 639 210 74 74 211 588 588 212 86 86 213 47 47 214 27 27 215 24 24 216 27 27 218 35 35 219 141 141 220 24 24 221 102 102 222 78 78 223 24 24 224 24 24 225 59 59 226 20 20 227 302 302 228 20 20 229 309 309 230 39 39 235 16 16 236 12 12 237 86 86 238 20 20 239 43 43 240 51 51 241 12 12 243 12 12 250 16 16 252 24 24 253 39 39 255 12 12 256 16 16 268 102 102 284 12 12 286 999 999 287 172 172 288 16 16 304 20 20 308 12 12 324 24 24 //

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