ACCESSION: MSBNK-Univ_Toyama-TY000053
RECORD_TITLE: Sinomenine; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2008.10.10, modified 2011.05.06)
AUTHORS: Ken Tanaka
LICENSE: CC BY-SA

CH$NAME: Sinomenine
CH$NAME: 7,8-Didehydro-4-hydroxy-3,7-dimethoxy-17-methylmorphinan-6-one
CH$NAME: Cucoline
CH$NAME: Kukoline
CH$NAME: Cuculine
CH$NAME: Sabianine A
CH$NAME: Morphinan-6-one, 7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-, (9alpha,13alpha,14alpha)-
CH$NAME: 9alpha,13alpha,14alpha-Morphinan-6-one, 7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-
CH$NAME: 4-hydroxy-3,7-dimethoxy-17-methylmorphin-7-en- 6-one
CH$NAME: (9alpha,13alpha,14alpha)-7,8-Didehydro-4-hydroxy-3,7-dimethoxy-17-methylmorphinan-6-one
CH$NAME: 7,8-Didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-9-alpha,13-alpha,14-alpha-morphinan-6-one
CH$COMPOUND_CLASS: Natural Product; Alkaloid
CH$FORMULA: C₁₉H₂₃NO₄
CH$EXACT_MASS: 329.16271
CH$SMILES: COc(c4)c(O)c(c(c4)1)C(C2)(C3)C([H])(C=C(OC)C(=O)3)C(N(C)C2)C1
CH$IUPAC: InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1
CH$LINK: CAS 115-53-7
CH$LINK: NIKKAJI J5.269H
CH$LINK: PUBCHEM CID:5459308
CH$LINK: INCHIKEY INYYVPJSBIVGPH-QHRIQVFBSA-N

AC$INSTRUMENT: Shimadzu LC20A-IT-TOFMS
AC$INSTRUMENT_TYPE: LC-ESI-ITTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE +4.50 kV
AC$MASS_SPECTROMETRY: SCANNING_RANGE 100-2000
AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis T3 (2.1 x 150 mm, 5 um)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 10 % B to 100 % B/40 min
AC$CHROMATOGRAPHY: FLOW_RATE 0.2 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 655.701 sec
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN

MS$FOCUSED_ION: ION_TYPE [M+H]+

PK$SPLASH: splash10-001i-0009001000-f5af8b8cb3021d461134
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  330.1702 45703180 999
  331.1731 11027176 241
  659.3316 4316739 94
  681.3126 3471066 76
//