ACCESSION: MSBNK-Univ_Toyama-TY000121
RECORD_TITLE: Amentoflavone; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2010.07.12, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA
CH$NAME: Amentoflavone
CH$NAME: 8-[5-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CH$NAME: 4',4''',5,5'',7,7''-Hexahydroxy-3''',8-biflavone
CH$NAME: Didemethyl-ginkgetin
CH$NAME: Amenthoflavone
CH$NAME: I3',II8-Biapigenin
CH$NAME: Tridemethylsciadopitysin
CH$COMPOUND_CLASS: Natural Product; Flavonoid
CH$FORMULA: C30H18O10
CH$EXACT_MASS: 538.09000
CH$SMILES: O=C(C=2)c(c(O)1)c(OC2c(c3)cc(c(c54)c(O)cc(O)c4C(=O)C=C(c(c6)ccc(c6)O)O5)c(O)c3)cc(O)c1
CH$IUPAC: InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H
CH$LINK: CAS
1617-53-4
CH$LINK: INCHIKEY
YUSWMAULDXZHPY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20167225
AC$INSTRUMENT: LCMS-IT-TOF
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 = 200-2000)
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$CHROMATOGRAPHY: RETENTION_TIME 16.118333 min
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN
MS$FOCUSED_ION: BASE_PEAK 539.088200
PK$SPLASH: splash10-000i-2000090000-9a92ae77771df76356f9
PK$NUM_PEAK: 169
PK$PEAK: m/z int. rel.int.
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//
