MassBank Record: FIO00143



 7-Hydroxyflavone; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FIO00143
RECORD_TITLE: 7-Hydroxyflavone; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
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_40eV_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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$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$FOCUSED_ION: BASE_PEAK 137.023600 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0930000000-40d657e08146d7a04190 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 81.032600 408.000000 11 93.033500 528.000000 14 95.012700 576.000000 16 103.054400 6780.000000 185 104.057800 429.000000 12 105.033900 2070.000000 56 109.028700 2230.000000 61 111.044400 1155.000000 32 115.054600 698.000000 19 121.039800 3341.000000 91 127.039200 737.000000 20 129.033800 24108.000000 657 130.037100 2178.000000 59 137.023600 36630.000000 999 138.026900 2250.000000 61 141.070300 2168.000000 59 147.044200 846.000000 23 152.062300 1136.000000 31 153.069900 2434.000000 66 154.076200 581.000000 16 155.034100 3052.000000 83 165.070000 4347.000000 119 166.074400 590.000000 16 176.062000 429.000000 12 183.079900 896.000000 24 211.075100 1577.000000 43 221.059200 492.000000 13 239.070200 30853.000000 841 240.073400 4281.000000 117 241.076400 498.000000 14 //