ACCESSION: MSBNK-Waters-WA001092
RECORD_TITLE: Morphine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 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
//