MassBank Record: PN000008



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

ACCESSION: PN000008
RECORD_TITLE: Chrysoeriol; ESI-TOF; MS2; CE:25 eV; [M-H]-
DATE: 2011.12.12
AUTHORS: , Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: lupinus_mexico

CH$NAME: Chrysoeriol CH$NAME: 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone CH$NAME: 3'-Methoxyapigenin CH$COMPOUND_CLASS: Natural Product; flavone CH$FORMULA: C16H12O6 CH$EXACT_MASS: 300.06338810399996 CH$SMILES: COC1=CC(=CC=C1(O))C2=CC(=O)C3=C(O)C=C(O)C=C3(O2) CH$IUPAC: InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3 CH$LINK: PUBCHEM CID:5280666 CH$LINK: CAS 491-71-4 CH$LINK: INCHIKEY SCZVLDHREVKTSH-UHFFFAOYSA-N
AC$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 0.026 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1200 AC$CHROMATOGRAPHY: RETENTION_TIME 452.612 AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 299.052 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$FOCUSED_ION: BASE_PEAK 256.034 MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-0a59-0390000000-2ec674935b9c664e6e23 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 107.012 143 143 132.016 55 55 133.027 79 79 134.037 106 106 151.003 288 288 152.010 52 52 183.042 106 106 187.039 53 53 188.044 63 63 199.035 100 100 200.045 106 106 211.041 142 142 227.034 362 362 228.037 74 74 255.029 314 314 256.034 999 999 257.040 106 106 283.022 70 70 284.028 597 597 285.034 123 123 //