MassBank Record: TY000220



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

ACCESSION: TY000220
RECORD_TITLE: Isorhamnetin; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (2010.10.15, 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Isorhamnetin CH$NAME: 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-H-1-benzopyran-4-one CH$NAME: 3,4',5,7-Tetrahydroxy-3'-methoxy-flavone CH$NAME: 3,4',5,7-Tetrahydroxy-3'-methoxyflavone CH$NAME: 3'-Methoxyquercetin CH$NAME: 3'-Methylquercetin CH$NAME: 3'-O-Methylquercetin CH$NAME: Isorhamnetol CH$NAME: Quercetin 3'-methyl ether CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C16H12O7 CH$EXACT_MASS: 316.05830 CH$SMILES: COc(c(O)3)cc(cc3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1 CH$IUPAC: InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 CH$LINK: CAS 480-19-3 CH$LINK: INCHIKEY IZQSVPBOUDKVDZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10197379
AC$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$CHROMATOGRAPHY: RETENTION_TIME 17.035000 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 317.073800
PK$SPLASH: splash10-014i-0009000000-55c10b8979cd708b57a6 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 245.033300 45205.000000 4 273.048100 45205.000000 4 285.038500 129291.000000 10 287.053900 450729.000000 36 288.064200 78841.000000 6 301.059700 60807.000000 5 302.044200 478948.000000 38 303.047100 57238.000000 5 315.040800 206536.000000 16 316.047900 68252.000000 5 317.073800 12507133.000000 999 317.227800 171139.000000 14 317.381900 234991.000000 19 317.604500 128059.000000 10 317.861400 76409.000000 6 318.067000 2192237.000000 175 319.079000 310424.000000 25 337.039600 473928.000000 38 338.028300 219357.000000 18 339.053800 66808.000000 5 487.080300 66808.000000 5 631.111300 112669.000000 9 686.044100 77821.000000 6 1763.957300 43205.000000 3 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)