MassBank Record: TY000136



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

ACCESSION: TY000136
RECORD_TITLE: Genistein; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2010.09.13, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Genistein CH$NAME: 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CH$NAME: 4',5,7-Trihydroxy-isoflavone CH$NAME: 4',5,7-Trihydroxyisoflavone CH$NAME: 5,7,4'-Trihydroxyisoflavone CH$NAME: Baichanin A CH$NAME: Bonistein CH$NAME: GeniVida CH$NAME: Genisteol CH$NAME: Genisterin CH$NAME: Prunetol CH$NAME: Sophoricol CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C15H10O5 CH$EXACT_MASS: 270.05282 CH$SMILES: Oc(c3)ccc(c3)C(=C1)C(=O)c(c(O)2)c(cc(O)c2)O1 CH$IUPAC: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H CH$LINK: CAS 446-72-0
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 16.343333 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 271.051000
PK$SPLASH: splash10-00di-0090000000-14ae481944ad1a1f7ca0 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 215.068100 166200.000000 5 243.066800 294697.000000 9 271.051000 32618730.000000 999 271.209200 492816.000000 15 271.383300 703914.000000 22 271.557500 354300.000000 11 272.064500 4847386.000000 148 273.064000 755653.000000 23 539.087400 132059.000000 4 645.044400 177637.000000 5 846.633900 108686.000000 3 //