ピーク情報
|
＜牛乳及び乳製品＞（液状乳類） 生乳 ホルスタイン種
pos
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| Peak #1357 MN MID: SE112_S130021_M90 |
| m/z: 403.15571, RT: 12.62, 強度: 51907, ログ強度: 1.21, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 8 |
| DB検索結果: (6 names) Ulexin B;Ulexone B;Inophyllum C;Tomentolide A;Ormosidin;7,4'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':5,6]-8-(3-methyl-1,3-butadienyl)isoflavone |
| DBごとのヒット数: ALL 5 KN 5 |
| FlavonoidSearch最大スコア MS2: -, 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 |
|---|---|---|---|---|
| C25H22O5 | 402.14672 | 4.260 | Ulexin B | KNApSAcK: C00019080 |
| C25H22O5 | 402.14672 | 4.260 | Ulexone B | FlavonoidViewer: FLIAAANP0012 KNApSAcK: C00009937 LipidMAPS: LMPK12050212 |
| C25H22O5 | 402.14672 | 4.260 | Tomentolide A | FlavonoidViewer: FLNAA9NP0005 KNApSAcK: C00010216 LipidMAPS: LMPK12100026 |
| C25H22O5 | 402.14672 | 4.260 | Inophyllum C | FlavonoidViewer: FLNAA9NP0002 KNApSAcK: C00010213, C00035840 LipidMAPS: LMPK12100023 |
| C25H22O5 | 402.14672 | 4.260 | Ormosidin | KNApSAcK: C00019538 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 403.15546 |
| Splash: splash10-0006-0009000000-b6f8670503e9a33d97d2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 342.94 | 1402 | 60 | 1000 |
| 325.05 | 162 | 78 | 115 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexone B |
| 0.000 | [Flavone]-A(2OMe)-B(4OMe) | Flavone | 5,6,2',3',5',6'-Hexamethoxyflavone |
| 0.000 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | 5,6,8,3',4',5'-Hexamethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(4OMe) | Flavone | 5,6,2',3',4',6'-Hexamethoxyflavone |
| 0.000 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | 5,6,7,3',4',5'-Hexamethoxyflavone |
| 0.000 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | Bannamurpanisin |
| 0.000 | [Flavone]-A(4OMe)-B(2OMe) | Flavone | Nobiletin |
| 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 |
| Level: 3, プリカーサーm/z: 342.94424 |
| Splash: splash10-00e9-0590000000-da2eebaed72b8c512992 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.06 | 8 | 72 | 1000 |
| 180.54 | 5 | 162 | 640 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(1OH)-B(3OH) | Flavone | 7,2',4',5'-Tetrahydroxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Zapotin |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Cerrosillin |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | 5,7,2',5'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Luteolin 5,7,3',4'-tetramethyl ether |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Norartocarpetin 5,7,2',4'-tetramethyl ether |
| 0.000 | [Flavone]-A(3OMe)-B(1OMe) | Flavone | Scutellarein 5,6,7,4'-tetramethyl ether |
| 0.000 | [Flavone]-A(3OMe)-B(1OMe) | Flavone | 4',5,7,8-Tetramethoxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(none) | Flavone | 5,6,7,8-Tetramethoxyflavone |
| 0.000 | [Isoflavone]-A(1OMe)-B(3OMe) | Isoflavone | 7,2',4',5'-Tetramethoxyisoflavone |
| 0.000 | [Isoflavone]-A(2OMe)-B(2OMe) | Isoflavone | 6,7,3',4'-Tetramethoxyisoflavone |
| 0.000 | [Aurone]-A(2OMe)-B(2OMe) | Aurone | 4,6,3',4'-Tetramethoxyaurone |
| 0.000 | [Chalcone]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Chalcone | 3,4-Methylenedioxy-2',4',6'-trimethoxychalcone |
| 0.000 | [alpha-Methyl-beta-oxodihydrochalcone]-A(2OMe)-B(1Oxo, 1Methyl, 1([@@]-Methylenedioxy)) | alpha-Methyl-beta-oxodihydrochalcone | Tinosporinone |
| 0.000 | [Flavanone]-A(1OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Flavanone | Brosimacutin C |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavone]-A(2OH, 2Methyl)-B(2OMe) | Flavone | 5,7-Dihydroxy-3',4'-dimethoxy-6,8-dimethylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe)-B(2OMe) | Flavonol | Fisetin tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OMe) | Flavonol | Tetramethylkaempferol |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OMe) | Flavonol | 8-Desmethylkalmiatin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OH) | Flavonol | 6,8-Di-C-methylkaempferol 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(none) | Flavonol | 3,5,6,7-Tetramethoxyflavone |
| 0.000 | [Flavonol]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Flavonol | 3-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(none) | Flavonol | 3,5,7,8-Tetramethoxyflavone |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(6-Oxopyrano)))-B(2OH) | Flavan 3-ol | Phyllocoumarin |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | 6-Hydroxy-7,2'-dimethoxy-4',5'-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Dalpatein |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Maximaisoflavone F |
| 0.000 | [Isoflavone]-A(1OH, 1OMe, 1Methyl)-B(2OMe) | Isoflavone | 5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | Isoiriskashmirianin |
| 0.000 | [Isoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Dipteryxine |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | Squarrosin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | Iriskashmirianin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | Iriskumaonin |
| 0.000 | [Isoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Platycarpanetin |
| 0.000 | [Pterocarpene]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpene | Leiocalycin |
| 0.000 | [Pterocarpene]-A(1OMe)-B(3OMe) | Pterocarpene | Bryacarpene 3 |
| 0.000 | [Rotenone]-A(1OMe)-B(2OMe) | Rotenone | Munduserone |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe, 1Formyl)-B(1OH, 1OMe) | 4-phenylcoumarin | 7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe, 1Formyl)-B(1OH, 1OMe) | 4-phenylcoumarin | Sisafolin |