MassBank Record: TY000050

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Oxymatrine; LC-ESI-ITTOF; MS; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: TY000050
RECORD_TITLE: Oxymatrine; 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$NAME: Oxymatrine
CH$NAME: 1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one, dodecahydro-, 4-oxide, (4R,7aS,13aR,13bR,13cS)-
CH$NAME: Matridin-15-one, 1-oxide, (1beta)-
CH$NAME: Matrine, 1-oxide
CH$NAME: Matrine, N-oxide
CH$NAME: (+)-Matrine N-oxide
CH$NAME: 1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one, dodecahydro-, 4-oxide, [4R-(4alpha,7a beta,13a alpha,13b beta,13c beta)]-
CH$NAME: Ammothamnine
CH$NAME: Kingbo
CH$NAME: Matrine 1beta-oxide
CH$NAME: Matrine N1-oxide
CH$NAME: Pachycarpidine
CH$NAME: Matrine, N1-Oxide
CH$COMPOUND_CLASS: Natural Product; Alkaloid
CH$FORMULA: C15H24N2O2
CH$EXACT_MASS: 264.18378000000001293301465921103954315185546875
CH$SMILES: O=C(C4)N(C1)C([H])(CC4)C([H])(C3)C([H])(N(=O)2CC3)C([H])(CCC2)1
CH$IUPAC: InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17+/m0/s1
CH$LINK: CAS 16837-52-8
CH$LINK: INCHIKEY XVPBINOPNYFXID-JARXUMMXSA-N
CH$LINK: NIKKAJI J595.793A
CH$LINK: PUBCHEM 114850

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 428.901
AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN

MS$FOCUSED_ION: ION_TYPE [M+H]+

PK$SPLASH: splash10-016r-0070090000-0e10b679949dcf2d5da0
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  265.1914 62107730 999
  266.1955 10496325 169
  529.3757 55468064 892
  530.3782 20339296 327
  531.3889 3424439 55
  551.3584 3259004 52
//