MassBank Record: WA001092



 Morphine; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001092
RECORD_TITLE: Morphine; LC-ESI-Q; MS; POS; 60 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$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0490000000-35f2a85008a8e113e4bb PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 100 12 12 114 16 16 121 16 16 123 27 27 145 35 35 147 55 55 153 20 20 155 39 39 157 24 24 160 12 12 161 16 16 162 12 12 165 63 63 166 20 20 171 12 12 173 86 86 178 20 20 179 12 12 181 59 59 183 114 114 185 110 110 186 12 12 187 20 20 191 24 24 193 59 59 194 12 12 199 43 43 201 278 278 202 35 35 203 12 12 207 12 12 209 74 74 211 121 121 212 20 20 219 31 31 221 24 24 222 12 12 227 51 51 229 153 153 230 16 16 237 24 24 239 20 20 268 55 55 286 999 999 287 157 157 288 16 16 304 16 16 //

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