MassBank Record: PN000010



 Apigenin; ESI-TOF; MS2; CE:15 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PN000010
RECORD_TITLE: Apigenin; ESI-TOF; MS2; CE:15 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: lupinus_mexico

CH$NAME: Apigenin CH$NAME: 4',5,7-Trihydroxyflavone CH$NAME: Spigenin CH$COMPOUND_CLASS: Natural Product; flavone CH$FORMULA: C15H10O5 CH$EXACT_MASS: 270.05282342 CH$SMILES: OC=1C=CC(=CC=1)C2=CC(=O)C3=C(O)C=C(O)C=C3(O2) CH$IUPAC: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H CH$LINK: PUBCHEM CID:5280443 CH$LINK: CAS 520-36-5 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: ESI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7 AC$MASS_SPECTROMETRY: COLLISION_GAS argon AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.027 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1000 AC$CHROMATOGRAPHY: RETENTION_TIME 435.889 AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 271.057 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$FOCUSED_ION: BASE_PEAK 153.017 MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-0udi-1900000000-51921732db8f71e60d13 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 91.053 300 300 92.057 22 22 97.029 22 22 111.009 19 19 115.054 65 65 119.049 321 321 120.053 21 21 121.028 148 148 125.021 21 21 131.049 27 27 141.070 60 60 145.028 208 208 146.033 27 27 153.017 999 999 154.021 64 64 155.046 38 38 163.037 49 49 168.054 20 20 169.059 29 29 171.029 19 19 197.056 45 45 229.047 17 17 242.059 16 16 243.062 28 28 271.056 93 93 272.061 18 18 //