ACCESSION: MSBNK-Univ_Toyama-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
CH$LINK: INCHIKEY
MBNGWHIJMBWFHU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80199966
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$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT 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
//
