MassBank Record: TY000185



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

ACCESSION: TY000185
RECORD_TITLE: Cosmosiin; LC-ESI-ITTOF; MS; [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$MASS_SPECTROMETRY: MS_TYPE MS AC$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 11.966667 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 433.118600
PK$SPLASH: splash10-001i-0030900000-5182508441d1198f6597 PK$NUM_PEAK: 86 PK$PEAK: m/z int. rel.int. 238.889900 106708.000000 4 251.529000 106708.000000 4 256.629700 106708.000000 4 261.734900 106708.000000 4 263.167100 312129.000000 12 265.150700 518507.000000 20 271.066800 10424905.000000 405 271.399200 507159.000000 20 271.573300 106708.000000 4 271.921800 214463.000000 8 272.064500 1091415.000000 42 272.429200 106708.000000 4 273.159300 312129.000000 12 283.289000 106708.000000 4 291.794800 106708.000000 4 332.153000 527639.000000 20 333.643300 106708.000000 4 342.495200 106708.000000 4 359.434500 106708.000000 4 375.403700 106708.000000 4 378.313900 106708.000000 4 380.185300 106708.000000 4 383.772500 204374.000000 8 391.282600 106708.000000 4 392.176500 106708.000000 4 400.229200 312129.000000 12 408.227900 832640.000000 32 419.311000 258774.000000 10 424.640800 106708.000000 4 433.118600 25739459.000000 999 433.318600 455063.000000 18 433.478600 459922.000000 18 433.979000 186430.000000 7 434.119100 4869470.000000 189 435.120800 1377195.000000 53 435.862800 161109.000000 6 436.123600 204374.000000 8 442.084200 106708.000000 4 445.201300 214463.000000 8 446.296900 312129.000000 12 449.102800 308565.000000 12 463.099100 308565.000000 12 471.074300 465153.000000 18 531.107100 361919.000000 14 594.246900 473238.000000 18 648.710600 106708.000000 4 670.129400 106708.000000 4 710.471400 106708.000000 4 733.112700 106708.000000 4 828.003400 106708.000000 4 841.608300 161109.000000 6 842.584400 106708.000000 4 866.263600 258774.000000 10 868.187900 161109.000000 6 887.205500 464195.000000 18 904.173800 734017.000000 28 912.805400 106708.000000 4 919.145700 494339.000000 19 949.458200 106708.000000 4 952.243600 106708.000000 4 1054.737900 106708.000000 4 1055.487000 106708.000000 4 1069.583000 106708.000000 4 1102.262700 106708.000000 4 1174.558300 106708.000000 4 1242.976100 106708.000000 4 1316.745700 258774.000000 10 1349.234100 106708.000000 4 1370.282800 469674.000000 18 1371.065500 106708.000000 4 1380.761100 106708.000000 4 1444.030900 106708.000000 4 1525.373800 106708.000000 4 1532.325100 106708.000000 4 1536.804800 258774.000000 10 1548.656500 204374.000000 8 1549.299500 106708.000000 4 1582.152500 106708.000000 4 1624.633000 106708.000000 4 1639.929900 106708.000000 4 1647.020200 106708.000000 4 1669.246400 106708.000000 4 1673.961200 106708.000000 4 1727.300600 106708.000000 4 1829.207300 106708.000000 4 1986.794500 106708.000000 4 //