MassBank Record: PN000110



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

ACCESSION: PN000110
RECORD_TITLE: Quercetin; ESI-TOF; MS2; CE:25 eV; [M-H]-
DATE: 2011.03.19
AUTHORS: , Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: standard

CH$NAME: Quercetin CH$NAME: Xanthaurine CH$NAME: Sophoretin CH$NAME: Meletin CH$COMPOUND_CLASS: Natural Product; flavonol CH$FORMULA: C15H10O7 CH$EXACT_MASS: 302.04265266 CH$SMILES: OC1=CC(O)=C2C(=O)C(O)=C(OC2(=C1))C3=CC=C(O)C(O)=C3 CH$IUPAC: InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H CH$LINK: PUBCHEM CID:5280343 CH$LINK: CAS 117-39-5 CH$LINK: INCHIKEY REFJWTPEDVJJIY-UHFFFAOYSA-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$MASS_SPECTROMETRY: PEAK_WIDTH 0.032 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1200 AC$CHROMATOGRAPHY: RETENTION_TIME 383.336 AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 301.032 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$FOCUSED_ION: BASE_PEAK 121.029 MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-0kmi-0900000000-16c577ced5fc094ab637 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 93.033 319 319 107.011 666 666 121.029 999 999 139.039 187 187 149.027 183 183 151.002 951 951 161.026 146 146 //