MassBank Record: PN000067



 Apigenin 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: PN000067
RECORD_TITLE: Apigenin 7-O-glucoside; 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: lupinus_mexico

CH$NAME: Apigenin 7-O-glucoside CH$NAME: Thalictiin CH$NAME: Apigetrin, Cosmosiine, Cosmetin, Cosmosiin CH$NAME: Apigenin-7-O-glucoside CH$NAME: Apigetrin CH$NAME: Cosmeti CH$NAME: Cosmosiine CH$COMPOUND_CLASS: Natural Product; flavone CH$FORMULA: C21H20O10 CH$EXACT_MASS: 432.10564683999996 CH$SMILES: OCC4OC(OC1=CC(O)=C2C(=O)C=C(OC2(=C1))C=3C=CC(O)=CC=3)C(O)C(O)C4(O) CH$IUPAC: InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 CH$LINK: PUBCHEM CID:5280704 CH$LINK: CAS 578-74-5 CH$LINK: INCHIKEY KMOUJOKENFFTPU-QNDFHXLGSA-N
AC$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 0.026 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1200 AC$CHROMATOGRAPHY: RETENTION_TIME 311.62 AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 431.1 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$FOCUSED_ION: BASE_PEAK 269.046 MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-014i-0090000000-046e7b020d5fe28eb1f5 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 268.038 888 888 269.046 999 999 270.051 125 125 431.104 110 110 432.104 33 33 //