MassBank Record: PN000117



 2'-Hydroxygenistein-7-O-glucoside; ESI-TOF; MS2; CE:25 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PN000117
RECORD_TITLE: 2'-Hydroxygenistein-7-O-glucoside; ESI-TOF; MS2; CE:25 eV; [M-H]-
DATE: 2011.03.20
AUTHORS: , Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: standard

CH$NAME: 2'-Hydroxygenistein-7-O-glucoside CH$COMPOUND_CLASS: Natural Product; isoflavone CH$FORMULA: C21H20O11 CH$EXACT_MASS: 448.10056146 CH$SMILES: C1=CC(=C(C=C1O)O)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O CH$IUPAC: InChI=1S/C21H20O11/c22-6-15-18(27)19(28)20(29)21(32-15)31-9-4-13(25)16-14(5-9)30-7-11(17(16)26)10-2-1-8(23)3-12(10)24/h1-5,7,15,18-25,27-29H,6H2/t15-,18-,19+,20-,21-/m1/s1 CH$LINK: CAS 137351-12-3 CH$LINK: PUBCHEM CID:10275537 CH$LINK: INCHIKEY VYYHGKQKCBDQKO-CMWLGVBASA-N
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: ESI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV AC$MASS_SPECTROMETRY: COLLISION_GAS argon AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.025 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.7387-1204.73 AC$CHROMATOGRAPHY: RETENTION_TIME 234.02 AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 447.096 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$FOCUSED_ION: BASE_PEAK 412.828 MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-03ei-0090700000-586db637e5a3bbbabaa4 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 284.031 880 880 285.038 906 906 412.828 999 999 413.820 275 275 414.816 239 239 //