MassBank Record: TY000146



 Luteolin-7-O-glucoside; LC-ESI-ITTOF; MS2; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000146
RECORD_TITLE: Luteolin-7-O-glucoside; LC-ESI-ITTOF; MS2; [M+H]+
DATE: 2016.01.19 (Created 2010.10.14, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Luteolin 7-glucoside CH$NAME: Cynaroside CH$NAME: 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one CH$NAME: Luteolin 7-beta-D-glucopyranoside CH$NAME: 7-Glucoluteolin CH$NAME: 7-beta-D-Glucosylluteolin CH$NAME: 7-beta-Glucosylluteolin CH$NAME: Cinaroside CH$NAME: Glucoluteolin CH$NAME: Luteolin 7-O-glucopyranoside CH$NAME: Luteolin 7-O-glucoside CH$NAME: Luteolin 7-O-monoglucoside CH$NAME: Luteolin 7-O-beta-D-glucopyranoside CH$NAME: Luteolin 7-O-beta-D-glucoside CH$NAME: Luteolin 7-O-beta-glucopyranoside CH$NAME: Luteolin 7-O-beta-glucoside CH$NAME: Luteolin 7-monoglucoside CH$NAME: Luteolin 7-beta-D-glucoside CH$NAME: Luteolin 7-beta-glucoside CH$NAME: Luteolin 7-beta-monoglucoside CH$NAME: Luteolin-7-D-glucopyranoside CH$NAME: Luteoloside CH$NAME: Nephrocizin CH$NAME: Nephrocizine CH$NAME: Luteolin-7-O-glucoside CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C21H20O11 CH$EXACT_MASS: 448.10056 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc(c4)cc(O2)c(c(O)4)C(=O)C=C2c(c3)cc(O)c(O)c3 CH$IUPAC: InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 CH$LINK: CAS 5373-11-5
AC$INSTRUMENT: LCMS-IT-TOF AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 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$CHROMATOGRAPHY: RETENTION_TIME 11.188617 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 287.053900 MS$FOCUSED_ION: PRECURSOR_M/Z 449.105600
PK$SPLASH: splash10-000i-0090000000-31bb8bd03bfd2eff538b PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 153.016200 250781.000000 14 245.048400 72668.000000 4 287.053900 18421259.000000 999 287.200400 351645.000000 19 287.395900 474430.000000 26 287.575100 304384.000000 17 287.787000 120067.000000 7 288.047900 1880170.000000 102 //