ピーク情報
|
イネ 葉 ニッポンバレ
pos
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| Peak #2833 MN MID: SE199_S41_M90 |
| m/z: 773.19490, RT: 40.81, 強度: 9118, ログ強度: 0.37, 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: (14 names) Kaempferol 3-(6'''-caffeylglucosyl)-(1->2)-galactoside;Isoorientin 4'-O-glucoside-2''-O-(E)-caffeate;Cyanidin 3-glucoside 5-caffeoylglucoside;Luteolin 7-glucosyl-(1->6)-(4'''-caffeoylglucoside);Awoban... |
| DBごとのヒット数: ALL 13 KG 2 KN 11 |
| FlavonoidSearch最大スコア MS2: -, MS3: 1.000 |
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 |
|---|---|---|---|---|
| C36H36O19 | 772.18508 | 3.292 | Kaempferol 3-(6'''-caffeylglucosyl)-(1->2)-galactoside | FlavonoidViewer: FL5FAAGA0032 KNApSAcK: C00005875 LipidMAPS: LMPK12111693 |
| C36H36O19 | 772.18508 | 3.292 | Isoorientin 4'-O-glucoside-2''-O-(E)-caffeate | FlavonoidViewer: FL3FACDS0017 KNApSAcK: C00006330 LipidMAPS: LMPK12110550 |
| C36H36O19 | 772.18508 | 3.292 | Gentiocyanin A | FlavonoidViewer: [1]FL7AACGL0051 KEGG: [1]C16372 KNApSAcK: [1]C00006822 LipidMAPS: [1]LMPK12010160 |
| C36H36O19 | 772.18508 | 3.292 | Awobanin | FlavonoidViewer: [1]FL7AAGGL0021 HMDB: [1]HMDB0038000 KNApSAcK: [1]C00006884 LipidMAPS: [1]LMPK12010297 |
| C36H36O19 | 772.18508 | 3.292 | Luteolin 7-glucosyl-(1->6)-(4'''-caffeoylglucoside) | FlavonoidViewer: FL3FACGS0082 KNApSAcK: C00013667 LipidMAPS: LMPK12110716 |
| C36H36O19 | 772.18508 | 3.292 | Cyanidin 3-(2-glucosyl-6-caffeoylglucoside) | FlavonoidViewer: [1]FL7AACGL0104 KNApSAcK: [1]C00014760 LipidMAPS: [1]LMPK12010213 |
| C36H36O19 | 772.18508 | 3.292 | Implexaflavone | KNApSAcK: C00050122 |
| C36H36O19 | 772.18508 | 3.292 | 6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside) | FlavonoidViewer: FL3FECGS0021 KNApSAcK: C00004396 LipidMAPS: LMPK12111194 |
| C36H36O19 | 772.18508 | 3.292 | Kaempferol 3-caffeylsophoroside | FlavonoidViewer: FL5FAAGL0080 KNApSAcK: C00005881 LipidMAPS: LMPK12111802 |
| C36H36O19 | 772.18508 | 3.292 | Cyanidin 3-glucoside-3'-(6''-caffeylglucoside) | FlavonoidViewer: [1]FL7AACGL0058 KNApSAcK: [1]C00006829 LipidMAPS: [1]LMPK12010167 |
| C36H36O19 | 772.18508 | 3.292 | Cyanidin 3-(6''-caffeylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AACGL0050 HMDB: [1]HMDB0037983 KNApSAcK: [1]C00006821 LipidMAPS: [1]LMPK12010159 |
| C36H36O19 | 772.18508 | 3.292 | Delphinidin 3-glucoside-5-(6-(E)-p-coumaroylglucoside) | FlavonoidViewer: [1]FL7AAGGA0007, [1]FL7AAGGL0069 KEGG: [1]C16351 KNApSAcK: [1]C00006881, [1]C00014820 LipidMAPS: [1]LMPK12010266, [1]LMPK12010345 |
| C36H36O19 | 772.18508 | 3.292 | Quercetin 3-O-beta-(6''-O-E-p-coumaroylglucoside)-7-O-beta-glucoside | FlavonoidViewer: FL5FACGL0078 KNApSAcK: C00011129 LipidMAPS: LMPK12112163 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 773.19397 |
| Splash: splash10-0002-0016902000-91a633f40a3cf3810c5d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 449.20 | 32656 | 324 | 1000 |
| 431.16 | 13836 | 342 | 423 |
| 329.13 | 12104 | 444 | 370 |
| 611.13 | 10909 | 162 | 334 |
| 353.14 | 7072 | 420 | 216 |
| 383.20 | 6754 | 390 | 206 |
| 395.24 | 6242 | 378 | 191 |
| 299.20 | 6215 | 474 | 190 |
| 413.22 | 3908 | 360 | 119 |
| 755.25 | 3541 | 18 | 108 |
| 593.28 | 2849 | 180 | 87 |
| 325.18 | 2157 | 448 | 66 |
| 653.09 | 1795 | 120 | 54 |
| 377.18 | 1789 | 396 | 54 |
| 287.08 | 1699 | 486 | 52 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 449.18103 |
| Splash: splash10-001i-0007900000-2313426c925a988b6641 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 431.09 | 9097 | 18 | 1000 |
| 383.17 | 4412 | 66 | 484 |
| 353.13 | 2089 | 96 | 229 |
| 329.18 | 1811 | 120 | 199 |
| 413.19 | 1618 | 36 | 177 |
| 395.15 | 1206 | 54 | 132 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 1.000 | [Flavone]-A(2OH, 1(C-Glu))-B(2OH) | Flavone | Isoorientin |
| 1.000 | [Flavone]-A(2OH, 1(C-Glu))-B(2OH) | Flavone | Orientin |
| 1.000 | [Flavonol]-A(1OH, 1(C-Glu))-B(2OH) | Flavonol | Fisetin 8-C-glucoside |
| 1.000 | [Flavonol]-A(2OH, 1(C-Glu))-B(1OH) | Flavonol | 6-C-Glucopyranosylkaempferol |
| 1.000 | [Flavonol]-A(2OH, 1(C-Glu))-B(1OH) | Flavonol | 8-C-beta-D-Glucopyranosylkaempferol |
| 1.000 | [Isoflavone]-A(2OH, 1(C-Glu))-B(2OH) | Isoflavone | 6-C-Glucosylorobol |
| 1.000 | [Isoflavone]-A(2OH, 1(C-Glu))-B(2OH) | Isoflavone | 8-C-Glucosylorobol |
| 1.000 | [Anthocyanidin]-A(2OH, 1(C-Glu))-B(2OH) | Anthocyanidin | 8-C-Glucosylcyanidin |
| 0.063 | [Chalcone]-A(4OMe)-B(4OMe) | Chalcone | 2,3,4,5,2',3',4',6'-Octamethoxychalcone |
| 0.000 | [Flavone]-A(4OMe)-B(1OH, 3OMe) | Flavone | Agehoustin C |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH) | Flavone | 6-C-Galactosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH) | Flavone | 8-C-Galactosylluteolin |
| 0.000 | [Flavone]-A(3OH, 1(C-Galactosyl))-B(1OH) | Flavone | 6-C-Galactosylisoscutellarein |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartomunin |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artomunoxanthone |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artonol E |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Cycloartomunoxanthone |
| 0.000 | [UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone | Artonin P |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(1OH, 2OMe) | Flavonol | 3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 4-Hydroxy-3-phenylcoumarin | Lonchocarpenin |
| Level: 3, プリカーサーm/z: 431.14240 |
| Splash: splash10-0w30-0009100000-cd41b80b542527e70763 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 353.22 | 3083 | 78 | 1000 |
| 383.15 | 2148 | 48 | 696 |
| 413.23 | 1451 | 18 | 470 |
| 395.24 | 1013 | 36 | 328 |
| 311.20 | 414 | 120 | 134 |
| 299.16 | 317 | 132 | 102 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.333 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none) | Flavone | Kaplanin |
| 0.333 | [Isoflavone]-A(1OH, 1(C-Glu))-B(1OMe) | Isoflavone | Puerarin 4'-methyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | Isomollupentin 7,4'-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | 7,4'-Di-O-Methylisomollupentin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OH) | Flavone | 8-C-Rhamnosylgenkwanin |
| 0.000 | [Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(2OH) | Flavone | Derhamnosylmaysin |
| 0.000 | [Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(2OH) | Flavone | 6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)luteolin |
| 0.000 | [Flavone]-A(2OH, 1(2,6-Dideoxy-beta-L-xylo-hexopyranosyl))-B(1OH, 1OMe) | Flavone | Alternanthin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(3-hydroxy-3-methylbutyl)) | Flavonol | Aliarin 4'-methyl ether |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OMe, 1(4-hydroxy-3-methylbutyl)) | Flavonol | 3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | 3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<1,6-Dihydroxy-2-cyclohexene-1-carbonyl>)) | Flavan 3-ol | Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate) |