MassBank Record: FIO00144



 7-Hydroxyflavone; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FIO00144
RECORD_TITLE: 7-Hydroxyflavone; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
DATE: 2016.01.19 (Created 2013.03.13)
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_pos_50eV_CB000023.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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 4500 V AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 eV AC$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$FOCUSED_ION: BASE_PEAK 129.033800 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004r-0900000000-30213630638ddca85e37 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 81.032300 867.000000 35 93.033700 312.000000 13 95.013200 591.000000 24 101.038800 388.000000 16 103.054400 6147.000000 249 104.057400 376.000000 15 105.034800 2114.000000 86 109.028600 1905.000000 77 111.044400 646.000000 26 115.054600 2080.000000 84 119.013200 325.000000 13 121.039900 1590.000000 65 127.039500 858.000000 35 128.062200 559.000000 23 129.033800 24625.000000 999 130.037200 2255.000000 91 137.023700 16980.000000 689 138.026900 1212.000000 49 139.054700 851.000000 35 141.070100 2059.000000 84 147.044000 327.000000 13 150.046500 452.000000 18 151.054400 924.000000 37 152.062200 1545.000000 63 153.069800 1293.000000 52 154.077100 504.000000 20 155.034300 881.000000 36 164.062200 1368.000000 55 165.070000 5181.000000 210 166.073800 737.000000 30 169.064500 311.000000 13 176.062100 453.000000 18 179.050200 268.000000 11 181.064800 533.000000 22 211.075700 320.000000 13 239.070300 2171.000000 88 240.073700 376.000000 15 //