ピーク情報
|
イネ 葉 コシヒカリ
pos
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| Peak #6594 MN MID: SE199_S31_M90 |
| m/z: 403.10242, RT: 63.53, 強度: 19278, ログ強度: 0.73, 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: (20 names) 1-Hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone;Mollupentin;Apigenin-8-C-alpha-L-arabinopyranoside;8-alpha-L-Arabinopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Gossypetin 3,7... |
| DBごとのヒット数: ALL 16 KG 3 KN 11 HM 2 |
| 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 |
|---|---|---|---|---|
| C20H18O9 | 402.09508 | 0.145 | Mollupentin | FlavonoidViewer: FL3FAACS0004 KNApSAcK: C00006080 LipidMAPS: LMPK12110197 |
| C20H18O9 | 402.09508 | 0.145 | 1-Hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone | KEGG: C04719 LipidMAPS: LMFA13010061 |
| C20H18O9 | 402.09508 | 0.145 | Gossypetin 3,7,3'-trimethyl ether 8-acetate | FlavonoidViewer: FL5FFCNS0029 KNApSAcK: C00004941 LipidMAPS: LMPK12113259 |
| C20H18O9 | 402.09508 | 0.145 | beta-Isorhodomycinone | KNApSAcK: C00016343 |
| C20H18O9 | 402.09508 | 0.145 | 5-Hydroxy-3,3',7,8-tetramethoxy-4',5'-methylenedioxyflavone | HMDB: HMDB0041257 |
| C20H18O9 | 402.09508 | 0.145 | Variecolorquinone A | KNApSAcK: C00048900 |
| C20H18O9 | 402.09508 | 0.145 | 7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone | FlavonoidViewer: FL3FGGNS0010 KNApSAcK: C00004009 LipidMAPS: LMPK12111496 |
| C20H18O9 | 402.09508 | 0.145 | 5-Hydroxy-3,6,7,8-tetramethoxy-3',4'-methylenedioxyflavone | FlavonoidViewer: FL5FGCNS0023 KNApSAcK: C00005065 LipidMAPS: LMPK12113349 |
| C20H18O9 | 402.09508 | 0.145 | Pelargonidin 3-arabinoside | FlavonoidViewer: [1]FL7AAAGO0001, [1]FL7AAAGO0002 KNApSAcK: [1]C00006627, [1]C00006628 LipidMAPS: [1]LMPK12010089, [1]LMPK12010090 |
| C20H18O9 | 402.09508 | 0.145 | Frangulin B | KEGG: C10349 KNApSAcK: C00002825 |
| C20H18O9 | 402.09508 | 0.145 | 2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one | FlavonoidViewer: FL5FGCNS0029 KNApSAcK: C00013515 LipidMAPS: LMPK12113355 |
| C20H18O9 | 402.09508 | 0.145 | Apigenin 7-xyloside | FlavonoidViewer: FL3FAAGS0006 HMDB: HMDB0303810 KNApSAcK: C00004141 LipidMAPS: LMPK12110341 |
| C20H18O9 | 402.09508 | 0.145 | Pelargonidin 3-arabinoside | HMDB: [1]HMDB0301663 |
| C20H18O9 | 402.09508 | 0.145 | Cerarvensin | FlavonoidViewer: FL3FAACS0002, FL3FAACS0003 KNApSAcK: C00006078, C00006079 LipidMAPS: LMPK12110195, LMPK12110196 |
| C20H18O9 | 402.09508 | 0.145 | 5,2',5'-Trihydroxy-3,7,8-trimethoxyflavone 2'-acetate | FlavonoidViewer: FL5FF9NM0006 KNApSAcK: C00004936 LipidMAPS: LMPK12113087 |
| C20H18O9 | 402.09508 | 0.145 | Versiconol acetate | KEGG: C20506 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 403.10233 |
| Splash: splash10-001i-0019000000-5a3501c2ef70fcf868a6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 330.04 | 61664 | 73 | 1000 |
| 312.09 | 22690 | 91 | 367 |
| 284.11 | 14909 | 119 | 241 |
| 373.12 | 12009 | 30 | 194 |
| 331.15 | 4447 | 72 | 72 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.100 | [Flavone]-A(2OMe)-B(4OMe) | Flavone | 5,6,2',3',5',6'-Hexamethoxyflavone |
| 0.100 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | 5,6,8,3',4',5'-Hexamethoxyflavone |
| 0.100 | [Flavone]-A(2OMe)-B(4OMe) | Flavone | 5,6,2',3',4',6'-Hexamethoxyflavone |
| 0.100 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | 5,6,7,3',4',5'-Hexamethoxyflavone |
| 0.100 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | Bannamurpanisin |
| 0.100 | [Flavone]-A(4OMe)-B(2OMe) | Flavone | Nobiletin |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexone B |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(2OH) | Dihydroflavonol | Paraibanol |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH) | 2'-Hydroxychalcone | 8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin |
| 0.000 | [CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(2OMe) | CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone | Antiarone K |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(none) | Flavanone | Calomelanol I |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH) | Flavanone | Calomelanol H |
| 0.000 | [Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH) | Flavone | Cerarvensin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH) | Flavone | Isomollupentin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH) | Flavone | Mollupentin |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | 7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Cinnamoyl)) | Dihydroflavonol | Pinobanksin 3-O-cinnamate |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(3OMe) | Flavonol | Myricetin hexamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(3OMe) | Flavonol | 3,5,7,2',4',5'-Hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(2OMe) | Flavonol | Quercetagetin hexamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(2OMe) | Flavonol | Gossypetin hexamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(1OMe) | Flavonol | 3,5,6,7,8,4'-Hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 5-Demethylmelibentin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(2OMe, 1(3-hydroxy-3-methylbutyl)) | Pterocarpan-6a-ol | Sphenostylin D |
| 0.000 | [4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | 4-phenylcoumarin | Inophyllum E |
| 0.000 | [4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | 4-phenylcoumarin | Tomentolide A |