MassBank Record: TY000186



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

ACCESSION: TY000186
RECORD_TITLE: Cosmosiin; 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$NAME: Cosmosiin CH$NAME: 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CH$NAME: Apigenin 7-beta-D-glucopyranoside CH$NAME: 4',5,7-Trihydroxyflavone 7-glucoside CH$NAME: 7-O-beta-D-Glucosylapigenin CH$NAME: Apigenin 7-O-glucoside CH$NAME: Apigenin 7-O-beta-D-glucopyranoside CH$NAME: Apigenin 7-O-beta-D-glucoside CH$NAME: Apigenin 7-O-beta-glucoside CH$NAME: Apigenin 7-glucoside CH$NAME: Apigenin 7-monoglucoside CH$NAME: Apigenin 7-beta-D-glucoside CH$NAME: Apigenin 7-beta-glucoside CH$NAME: Apigenin-7-O-beta-glucopyranoside CH$NAME: Apigetrin CH$NAME: Cosmetin CH$NAME: Cosmociin CH$NAME: Cosmoside CH$NAME: Cosmosiine CH$NAME: Cosmosioside CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C21H20O10 CH$EXACT_MASS: 432.10565 CH$SMILES: OCC(O1)C(O)C(O)C(O)C1Oc(c4)cc(O2)c(c(O)4)C(=O)C=C(c(c3)ccc(O)c3)2 CH$IUPAC: InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 CH$LINK: CAS 578-74-5
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 11.953550 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 271.051000 MS$FOCUSED_ION: PRECURSOR_M/Z 433.310100
PK$SPLASH: splash10-00di-0090000000-ca0c81af6b7ca928c2b2 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 153.016200 1474701.000000 21 203.064500 278066.000000 4 215.068100 313636.000000 4 225.046000 307607.000000 4 271.051000 70741235.000000 999 271.209200 1360918.000000 19 271.351700 1666823.000000 24 271.557500 994335.000000 14 271.763400 510386.000000 7 272.064500 11328188.000000 160 //