MassBank Record: TY000177



 Anthricin; LC-ESI-ITTOF; MS; [M+NH3+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000177
RECORD_TITLE: Anthricin; LC-ESI-ITTOF; MS; [M+NH3+H]+
DATE: 2016.01.19 (2010.10.14, 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Anthricin CH$NAME: (5R,5aR,8aR)-5,8,8a,9-Tetrahydro-5-(3,4,5-trimethoxyphenyl)-furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one CH$NAME: [5R-(5alpha,5abeta,8aalpha)]-5,8,8a,9-Tetrahydro-5-(3,4,5-trimethoxyphenyl)-furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one CH$NAME: Deoxy-podophyllotoxin CH$NAME: (-)-Anthricin CH$NAME: (-)-Deoxypodophyllotoxin CH$NAME: (-)-Desoxypodophyllotoxin CH$NAME: 4-Deoxypodophyllotoxin CH$NAME: Deoxypodophyllotoxin CH$NAME: Desoxypodophyllotoxin CH$NAME: Silicicolin CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C22H22O7 CH$EXACT_MASS: 398.13655 CH$SMILES: COc(c(OC)5)cc(cc(OC)5)C(c21)C([H])(C(=O)4)C([H])(CO4)Cc(cc(O3)c(OC3)c2)1 CH$IUPAC: InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1 CH$LINK: CAS 19186-35-7 CH$LINK: INCHIKEY ZGLXUQQMLLIKAN-SVIJTADQSA-N
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 21.160000 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 416.170000
PK$SPLASH: splash10-015a-0054900000-a9fa78329ef7e512d222 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 213.030500 368923.000000 10 231.069400 34667426.000000 968 231.332400 796787.000000 22 231.522400 403269.000000 11 232.063800 3374270.000000 94 399.135700 30038273.000000 839 399.481400 586809.000000 16 399.788700 236397.000000 7 400.153900 6089439.000000 170 401.154100 1046980.000000 29 416.170000 35780510.000000 999 416.581700 674882.000000 19 416.777900 397702.000000 11 417.170400 13219866.000000 369 418.172000 2166358.000000 60 421.124800 2739266.000000 76 422.131100 555247.000000 16 437.088900 939225.000000 26 444.189400 408748.000000 11 814.292300 1915190.000000 53 815.307300 1145603.000000 32 819.263300 939225.000000 26 820.253800 625092.000000 17 822.291700 193416.000000 5 //

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