MassBank Record: TY000130



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

ACCESSION: TY000130
RECORD_TITLE: Diosmetin; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2016.01.19 (Created 2010.07.16, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Diosmetin CH$NAME: 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one CH$NAME: 3',5,7-Trihydroxy-4'-methoxy-flavone CH$NAME: 3',5,7-Trihydroxy-4'-methoxyflavone CH$NAME: 4'-Methylluteolin CH$NAME: 5,7,3'-Trihydroxy-4'-methoxyflavone CH$NAME: Diosmetine CH$NAME: Diosmetol CH$NAME: Luteolin 4'-methyl ether CH$NAME: Pillon CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C16H12O6 CH$EXACT_MASS: 300.06339 CH$SMILES: COc(c3)c(O)cc(c3)C(=C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 CH$IUPAC: InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3 CH$LINK: CAS 520-34-3
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 15.314117 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 299.056400
PK$SPLASH: splash10-0002-0091042000-4daf52125d0b24462e89 PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 281.071900 88425.000000 14 284.027900 2225877.000000 352 284.173700 48374.000000 8 285.032900 314406.000000 50 299.056400 6314846.000000 999 299.205900 88994.000000 14 299.355600 149095.000000 24 299.571700 79247.000000 13 300.054300 1240752.000000 196 301.053800 140083.000000 22 413.050400 290016.000000 46 414.047100 32457.000000 5 599.117700 4684358.000000 741 599.329400 56848.000000 9 599.611800 83412.000000 13 599.870600 55575.000000 9 600.129600 1821575.000000 288 600.529800 34319.000000 5 600.859600 31021.000000 5 601.118700 417644.000000 66 611.126000 49242.000000 8 621.096200 105060.000000 17 622.102400 40768.000000 6 625.126000 96898.000000 15 635.088300 209015.000000 33 636.105800 75955.000000 12 637.099900 120421.000000 19 703.125700 31021.000000 5 779.124800 64752.000000 10 852.417600 40768.000000 6 940.137900 32457.000000 5 952.138500 40768.000000 6 1136.772700 33731.000000 5 //