ピーク情報
|
イネ 葉 ニッポンバレ
pos
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| Peak #5686 MN MID: SE199_S41_M90 |
| m/z: 419.09760, RT: 58.30, 強度: 47077, ログ強度: 1.08, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (22 names) Kaempferol 3-xyloside;Salvianolic acid D;Isoscutellarein 7-xyloside;Kaempferol 7-xyloside;6-C-beta-D-Xylopyranosylluteolin;6-C-Xylosylluteolin;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-beta-D-xylopyrano... |
| DBごとのヒット数: ALL 18 KG 2 KN 12 HM 4 |
| FlavonoidSearch最大スコア MS2: 0.100, MS3: - |
DB検索結果
ppm
| 組成式 | 分子量 | 誤差(Δppm） | 候補化合物名（代表で最短名を記載） | 化合物ID |
|---|---|---|---|---|
| C20H18O10 | 418.09000 | 0.785 | Isoscutellarein 7-xyloside | FlavonoidViewer: FL3FFAGS0001 KNApSAcK: C00004244 LipidMAPS: LMPK12111340 |
| C20H18O10 | 418.09000 | 0.785 | Kaempferol 3-xyloside | FlavonoidViewer: FL5FAAGS0002, FL5FAAGS0003, FL5FAAGS0069 HMDB: HMDB0301957 KEGG: C20727 KNApSAcK: C00005133, C00005134, C00013736 LipidMAPS: LMPK12111840, LMPK12111841 |
| C20H18O10 | 418.09000 | 0.785 | Kaempferol 7-xyloside | FlavonoidViewer: FL5FAAGS0010, FL5FAAGS0011 HMDB: HMDB0303605 KNApSAcK: C00005145, C00005146 LipidMAPS: LMPK12111847, LMPK12111848 |
| C20H18O10 | 418.09000 | 0.785 | 6-C-beta-D-Xylopyranosylluteolin | FlavonoidViewer: FL3FACCS0003, FL3FACCS0049 KNApSAcK: C00006081, C00014016 LipidMAPS: LMPK12110471, LMPK12110517 |
| C20H18O10 | 418.09000 | 0.785 | 8-C-alpha-L-Arabinosylluteolin | FlavonoidViewer: FL3FACCS0004 KNApSAcK: C00006082 LipidMAPS: LMPK12110472 |
| C20H18O10 | 418.09000 | 0.785 | Cyanidin 3-xyloside | FlavonoidViewer: [1]FL7AACGO0001, [1]FL7AACGO0002 KNApSAcK: [1]C00006650, [1]C00006651, [1]C00031714 |
| C20H18O10 | 418.09000 | 0.785 | Scutellarein 6-xyloside | FlavonoidViewer: FL3FEAGS0002 HMDB: HMDB0037466 KNApSAcK: C00004217 LipidMAPS: LMPK12111106 |
| C20H18O10 | 418.09000 | 0.785 | 5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone | FlavonoidViewer: FL5FGGNS0015 KNApSAcK: C00005069 LipidMAPS: LMPK12113371 |
| C20H18O10 | 418.09000 | 0.785 | Juglanin | FlavonoidViewer: FL5FAAGS0001 HMDB: HMDB0029261, HMDB0029502, HMDB0302329, HMDB0303587 KNApSAcK: C00005132 LipidMAPS: LMPK12111839 |
| C20H18O10 | 418.09000 | 0.785 | Luteolin 7-xyloside | FlavonoidViewer: FL3FACGS0005 HMDB: HMDB0303793 KNApSAcK: C00004264 LipidMAPS: LMPK12110640 |
| C20H18O10 | 418.09000 | 0.785 | Luteolin 3'-xyloside | FlavonoidViewer: FL3FACGS0012 KNApSAcK: C00004271 LipidMAPS: LMPK12110647 |
| C20H18O10 | 418.09000 | 0.785 | Salvianolic acid D | HMDB: HMDB0041774 KNApSAcK: C00037774 |
| C20H18O10 | 418.09000 | 0.785 | Cimicifugic acid D | KNApSAcK: C00041435 |
| C20H18O10 | 418.09000 | 0.785 | Cyanidin 3-xyloside | HMDB: [1]HMDB0037972, [1]HMDB0037984, [1]HMDB0303036 |
| C20H18O10 | 418.09000 | 0.785 | Bifendate | HMDB: HMDB0249196 |
| C20H18O10 | 418.09000 | 0.785 | Cyanidin 7-arabinoside | HMDB: [1]HMDB0037989 |
| C24H19ON2SCl | 418.09066 | -0.807 | 2-Benzyl-5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one | HMDB: HMDB0257952 |
| C14H19O9N4P | 418.08897 | 3.250 | 5'-Butyrylphosphoinosine | KEGG: C06435 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 419.09723 |
| Splash: splash10-001i-0029000000-194de6e29310f10f1058 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 330.16 | 59438 | 89 | 1000 |
| 284.15 | 34271 | 135 | 576 |
| 331.13 | 33596 | 88 | 565 |
| 312.05 | 33586 | 107 | 565 |
| 373.09 | 13004 | 46 | 218 |
| 329.16 | 5372 | 90 | 90 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.100 | [Flavonol]-A(4OMe)-B(2OMe) | Flavonol | Natsudaidain |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Gangetinin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(4OMe) | Flavone | Agecorynin F |
| 0.000 | [Flavone]-A(3OMe)-B(1OH, 3OMe) | Flavone | Agecorynin G |
| 0.000 | [Flavone]-A(4OMe)-B(1OH, 2OMe) | Flavone | 4'-Hydroxy-5,6,7,8,3',5'-hexamethoxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(1OH, 2OMe) | Flavone | 3'-Hydroxy-5,6,7,8,4',5'-hexamethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(3OMe) | Flavone | 8-Hydroxy-5,6,7,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(3OMe) | Flavone | Gardenin A |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(3OMe) | Flavone | Agehoustin E |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Glu))-B(1OH) | 2'-Hydroxychalcone | 3'-C-Glucosylisoliquiritigenin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(2OH) | 2'-Hydroxychalcone | 8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(4OMe) | 2'-Hydroxychalcone | 6'-Hydroxy-2,3,4,5,2'-pentamethoxy-3',4'-methylenedioxychalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OMe) | Dihydrochalcone | Calomelanol A |
| 0.000 | [Flavanone]-A(1OH, 1(C-Galactosyl))-B(1OH) | Flavanone | 8-C-beta-D-Galactosylliquiritigenin |
| 0.000 | [Flavanone]-A(4OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavanone | Agecorynin B |
| 0.000 | [Flavone]-A(2OH, 1(C-Xylosyl))-B(2OH) | Flavone | 6-C-Xylosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(2OH) | Flavone | 8-C-alpha-L-Arabinosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(2OH) | Flavone | 6-C-alpha-L-Arabinosylluteolin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cyclomorusin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Isocyclomorusin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(4OMe) | Flavonol | 5-Hydroxy-3,7,2',3',4',6'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1OH, 2OMe) | Flavonol | 4'-Hydroxy-3,5,6,7,3',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,6,7,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,6,7,2',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe) | Flavonol | 8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe) | Flavonol | Grantioidinin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe) | Flavonol | 7-Hydroxy-3,5,6,8,3',4'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe) | Flavonol | 5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 2OMe) | Flavonol | 5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe) | Flavonol | 5-Hydroxy-3,6,7,8,2',4'-hexamethoxyflavone |
| 0.000 | [CCS-type derivative / [2,3a,4:5,4,3]-(8,9-Dihydroxy-1,5-dioxa-6-oxophenaleno)anthocyanidin]-A(1OH)-B(2OH) | CCS-type derivative / [2,3a,4:5,4,3]-(8,9-Dihydroxy-1,5-dioxa-6-oxophenaleno)anthocyanidin | Rosacyanin B |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6-Hydroxymethyl-6-methylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexone D |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexin C |
| 0.000 | [Isoflavone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Scandinone |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Nitiducarpin |
| 0.000 | [Coumaranochromon]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Coumaranochromon | Millettin |