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MassBank Record: TY000033

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

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

ACCESSION: TY000033
RECORD_TITLE: Wogonin; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2008.09.24, modified 2011.05.06)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Wogonin
CH$NAME: 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-
CH$NAME: Flavone, 5,7-dihydroxy-8-methoxy-
CH$NAME: 5,7-Dihydroxy-8-methoxyflavone
CH$NAME: Vogonin
CH$NAME: Norwogonin 8-methyl ether
CH$NAME: AIDS001403
CH$NAME: BRN 0287152
CH$NAME: NSC717845
CH$COMPOUND_CLASS: Natural Product; Flavonoid
CH$FORMULA: C16H12O5
CH$EXACT_MASS: 284.06847
CH$SMILES: COc(c(O)3)c(O1)c(c(O)c3)C(=O)C=C(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3
CH$LINK: CAS 632-85-9
CH$LINK: NIKKAJI J12.474E
CH$LINK: PUBCHEM CID:5281703
CH$LINK: INCHIKEY XLTFNNCXVBYBSX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70212557

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$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan (m/z = 150-2000)
AC$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 1168.101 sec
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN

MS$FOCUSED_ION: ION_TYPE [M+H]+

PK$SPLASH: splash10-000i-0090000000-84710776bc224074e0b4
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  270.0496 22786981 142
  285.0733 160500014 999
  286.0752 29339853 183
  567.1238 16280340 101
//

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