MassBank Record: FIO00147



 7-Hydroxyflavone; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FIO00147
RECORD_TITLE: 7-Hydroxyflavone; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
DATE: 2016.01.19 (Created 2013.04.08)
AUTHORS: Markus Kohlhoff, Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
LICENSE: CC BY-NC
COPYRIGHT: (c) Research Center Rene Rachou (FIOCRUZ, Brazil)
COMMENT: [Raw Data] CB049_7-Hydroxyflavone_neg_30eV_000015.txt

CH$NAME: 7-Hydroxyflavone CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C15H10O3 CH$EXACT_MASS: 238.06299 CH$SMILES: Oc(c3)cc(O1)c(c3)C(=O)C=C1c(c2)cccc2 CH$IUPAC: InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H CH$LINK: CAS 6665-86-7 CH$LINK: KEGG C11264 CH$LINK: KNAPSACK C00020218 CH$LINK: NIKKAJI J46.306J CH$LINK: PUBCHEM 13441
AC$INSTRUMENT: maXis (Bruker Daltonics) AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 4500 V AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV AC$MASS_SPECTROMETRY: COLLISION_GAS Nitrogen AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 8 l/min AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: NEBULIZER 2.0 bar AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis C18 3um 2.1x150mm AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE RT AC$CHROMATOGRAPHY: FLOW_GRADIENT 1-100% B in 10min AC$CHROMATOGRAPHY: FLOW_RATE 200ul/min AC$CHROMATOGRAPHY: SOLVENT 0.1% formic acid in water (A) and methanol (B)
MS$FOCUSED_ION: BASE_PEAK 237.056000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0190000000-61af293edbe7b88be5aa PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 132.021500 412.000000 12 135.008400 943.000000 28 165.071100 798.000000 24 167.050500 403.000000 12 180.058200 808.000000 24 181.065700 924.000000 27 193.065900 2819.000000 83 208.053100 3877.000000 115 209.060400 2229.000000 66 210.063900 398.000000 12 237.056000 33780.000000 999 238.059300 5837.000000 173 239.061900 565.000000 17 //