MassBank Record: TY000147

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Mangiferin; LC-ESI-ITTOF; MS; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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: 422.08490999999997939085005782544612884521484375
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$LINK: CAS 4773-96-0
CH$LINK: COMPTOX DTXSID60197263
CH$LINK: INCHIKEY AEDDIBAIWPIIBD-ZJKJAXBQSA-N

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
//