MassBank Record: PN000111



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

ACCESSION: PN000111
RECORD_TITLE: Quercetin; 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: 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 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$MASS_SPECTROMETRY: PEAK_WIDTH 0.026 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1000 AC$CHROMATOGRAPHY: RETENTION_TIME 381.397 AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 303.047 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$FOCUSED_ION: BASE_PEAK 153.017 MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-0udi-0920000000-4d0945a7d8095c5a5862 PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 91.052 32 32 103.053 32 32 105.038 45 45 107.043 44 44 109.028 125 125 110.036 36 36 111.010 52 52 115.054 80 80 117.068 62 62 121.028 169 169 123.042 61 61 127.051 91 91 128.058 50 50 129.069 28 28 131.050 79 79 135.040 45 45 137.023 441 441 145.064 203 203 153.017 999 999 154.020 80 80 155.047 233 233 157.060 28 28 161.063 33 33 163.038 50 50 165.019 90 90 166.024 31 31 173.057 142 142 179.033 46 46 183.039 121 121 184.048 44 44 187.037 94 94 200.044 39 39 201.053 280 280 202.054 36 36 211.038 48 48 228.041 39 39 229.049 367 367 230.045 53 53 239.029 43 43 257.040 69 69 285.037 29 29 //