MassBank Record: TY000144



 Luteolin; LC-ESI-ITTOF; MS; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000144
RECORD_TITLE: Luteolin; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2016.01.19 (Created 2010.10.14, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Luteolin CH$NAME: 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one CH$NAME: 3',4',5,7-Tetrahydroxy-flavone CH$NAME: 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-benzopyran-4-one CH$NAME: 3',4',5,7-Tetrahydroxyflavone CH$NAME: 5,7,3',4'-Tetrahydroxyflavone CH$NAME: Cyanidenon CH$NAME: Digitoflavone CH$NAME: Flacitran CH$NAME: Luteoline CH$NAME: Luteolol CH$NAME: Salifazide CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C15H10O6 CH$EXACT_MASS: 286.04774 CH$SMILES: Oc(c3)c(O)cc(c3)C(=C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 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
AC$INSTRUMENT: LCMS-IT-TOF AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE -3.50 kV AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan (m/z = 200-2000) AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis T3 (2.1 x 150 mm, 5 um) AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C AC$CHROMATOGRAPHY: FLOW_GRADIENT 10 % B to 100 % B/40 min AC$CHROMATOGRAPHY: FLOW_RATE 0.2 ml/min AC$CHROMATOGRAPHY: RETENTION_TIME 14.539117 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 285.032900
PK$SPLASH: splash10-0079-0090080000-7141ab1d540bde706a98 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 285.032900 9583932.000000 999 285.195200 168052.000000 18 285.341200 203015.000000 21 285.552300 60845.000000 6 286.039700 1751701.000000 183 287.048200 169367.000000 18 399.031400 1049019.000000 109 400.030200 339412.000000 35 553.044600 95431.000000 10 569.068200 283217.000000 30 570.077300 132399.000000 14 571.087300 6955794.000000 725 571.317000 119556.000000 12 571.500700 132905.000000 14 571.822400 94364.000000 10 572.098200 2419145.000000 252 573.086900 441755.000000 46 574.076500 60845.000000 6 593.064700 60845.000000 6 623.997300 132399.000000 14 625.005900 71306.000000 7 791.350200 57643.000000 6 910.034200 60845.000000 6 //