MassBank Record: RP004802



 Luteolin; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP004802
RECORD_TITLE: Luteolin; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
DATE: 2017.10.21
AUTHORS: BGC, Helmholtz Zentrum Muenchen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2017
COMMENT: CONFIDENCE Standard Compound
COMMENT: INTERNAL_ID 48

CH$NAME: Luteolin CH$NAME: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C15H10O6 CH$EXACT_MASS: 286.0477 CH$SMILES: c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)O)O)O)O CH$IUPAC: InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H CH$LINK: CAS 491-70-3 CH$LINK: CHEBI 15864 CH$LINK: KEGG C01514 CH$LINK: LIPIDMAPS LMPK12110006 CH$LINK: PUBCHEM CID:5280445 CH$LINK: INCHIKEY IQPNAANSBPBGFQ-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 4444102
AC$INSTRUMENT: maXis plus UHR-ToF-MS, Bruker Daltonics AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 AC$CHROMATOGRAPHY: COLUMN_NAME BEH C18 1.7um, 2.1x100mm, Waters AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min AC$CHROMATOGRAPHY: RETENTION_TIME 3.670 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 287.0545 MS$FOCUSED_ION: PRECURSOR_M/Z 287.055 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 2.4.0
PK$SPLASH: splash10-000i-0090000000-ceb7aa75cd97956cad25 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 153.0189 256 1 257.0445 1238 5 286.047 478 2 287.0544 207294 999 289.0605 3510 16 //