MassBank Record: TY000147



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

ACCESSION: TY000147
RECORD_TITLE: Mangiferin; 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$NAME: Mangiferin CH$NAME: 2-beta-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one CH$NAME: 1,3,6,7-Tetrahydroxyxanthone-C2-beta-D-glucoside CH$NAME: 2-C-beta-D-Glucopyranosyl-1,3,6,7-tetrahydroxyxanthone CH$NAME: Alpizarin CH$NAME: Alpizarine CH$NAME: Aphloiol CH$NAME: Chinomin CH$NAME: Chinonin CH$NAME: Hedysarid CH$NAME: Shamimin CH$COMPOUND_CLASS: Natural Product; Xanthone CH$FORMULA: C19H18O11 CH$EXACT_MASS: 422.08491 CH$SMILES: OCC(C(O)4)OC(C(O)C(O)4)c(c(O)3)c(O)c(C(=O)1)c(c3)Oc(c2)c(cc(O)c(O)2)1 CH$IUPAC: InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1 CH$LINK: CAS 4773-96-0
AC$INSTRUMENT: LCMS-IT-TOF AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE -3.50 kV AC$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$CHROMATOGRAPHY: RETENTION_TIME 7.055783 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 421.077000
PK$SPLASH: splash10-00di-0000900000-250205d6c9b7964ad62f PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 285.032900 5001.000000 5 301.037200 50477.000000 46 302.021700 11588.000000 11 314.029300 6324.000000 6 331.044400 51518.000000 47 373.333100 9580.000000 9 403.053500 12773.000000 12 404.057300 6324.000000 6 419.048400 12947.000000 12 421.077000 1094914.000000 999 421.254500 17696.000000 16 421.432000 23192.000000 21 421.688500 14784.000000 13 422.083300 230553.000000 210 422.261000 9346.000000 9 422.438700 7387.000000 7 423.090800 40549.000000 37 435.053700 16080.000000 15 436.056500 8024.000000 7 437.060400 6324.000000 6 447.529000 11391.000000 10 448.037300 6669.000000 6 453.075500 14473.000000 13 479.088700 8024.000000 7 519.031600 8024.000000 7 539.010900 5001.000000 5 594.024600 8024.000000 7 794.462100 6324.000000 6 843.156100 22386.000000 20 844.160900 9346.000000 9 896.057500 17525.000000 16 897.064500 9691.000000 9 1173.876700 6324.000000 6 1276.477500 6324.000000 6 //