ピーク情報
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トマト Micro-Tom 花
pos
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| Peak #5423 MN MID: SE203_S31_M90 |
| m/z: 337.09211, RT: 41.64, 強度: 26179, ログ強度: 0.76, 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: (13 names) Altersolanol A;Juglone glucoside;3-Caffeoyl-1,5-quinolactone;4-O-Caffeoylshikimic acid;Flagranone C;Dattelic acid;3-O-Caffeoylshikimic acid;4-Caffeoyl-1,5-quinolactone;[1R-(1alpha,4alpha,4aalpha,7beta... |
| DBごとのヒット数: ALL 12 KG 3 KN 5 HM 4 |
| FlavonoidSearch最大スコア MS2: 0.045, 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 |
|---|---|---|---|---|
| C16H16O8 | 336.08452 | 0.926 | Juglone glucoside | HMDB: HMDB0033563 |
| C16H16O8 | 336.08452 | 0.926 | 3-Caffeoyl-1,5-quinolactone | HMDB: HMDB0029287 |
| C16H16O8 | 336.08452 | 0.926 | Altersolanol A | KEGG: C10296 KNApSAcK: C00002791 |
| C16H16O8 | 336.08452 | 0.926 | 4-O-Caffeoylshikimic acid | HMDB: HMDB0033997 |
| C16H16O8 | 336.08452 | 0.926 | Flagranone C | KNApSAcK: C00015445 |
| C16H16O8 | 336.08452 | 0.926 | 5-O-Caffeoylshikimic acid | HMDB: HMDB0030654, HMDB0033999, [-1]HMDB0304282 KEGG: C10434 KNApSAcK: C00002720 |
| C16H16O8 | 336.08452 | 0.926 | 3-O-Caffeoylshikimic acid | KNApSAcK: C00054901 |
| C16H16O8 | 336.08452 | 0.926 | 4-Caffeoyl-1,5-quinolactone | HMDB: HMDB0029288 |
| C15H26OBrCl | 336.08555 | -2.159 | [1R-(1alpha,4alpha,4aalpha,7beta,8abeta)]-4-Bromo-7-chlorodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-naphthalenol | KNApSAcK: C00012691 |
| C15H26OBrCl | 336.08555 | -2.159 | Heterocladol | KEGG: C17193 KNApSAcK: C00012685 |
| C16H21ON2Br | 336.08372 | 3.286 | Flustraminol A | KNApSAcK: C00045950 |
| C16H21ON2Br | 336.08372 | 3.286 | Flustramine I | KNApSAcK: C00047884 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 337.09198 |
| Splash: splash10-03di-0900000000-e0bb60f214214a24e427 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 163.00 | 955 | 174 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.045 | [Isoflavone]-A(1OH)-B(1OMe, 1(C-Prenyl)) | Isoflavone | 4'-O-Methylneobavaisoflavone |
| 0.000 | [Isoflavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Isoderrone |
| 0.000 | [Isoflavone]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Glabrone |
| 0.000 | [Isoflavone]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Puerarone |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Alpinumisoflavone |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Derrone |
| 0.000 | [Flavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Yinyanghuo C |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavone | Atalantoflavone |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavone | Carpachromene |
| 0.000 | [Coumestan]-A(1OH, 1(C-Prenyl))-B(1OH) | Coumestan | Psoralidin |
| 0.000 | [Coumestan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Coumestan | Isosojagol |
| 0.000 | [Coumestan]-A(1OH, 1(C-Prenyl))-B(1OH) | Coumestan | Phaseol |
| 0.000 | [Chalcone]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Chalcone | Licoagrochalcone B |
| 0.000 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Ovalichromene |
| 0.000 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Obovatin methyl ether |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | Dorspoinsettifolin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Oaxacacin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Pongachalcone I |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Cedreprenone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 2'-Hydroxychalcone | 4-Methoxylonchocarpin |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Pterocarpan | Hemileiocarpin |
| 0.000 | [2-(alpha-oxobenzyl)benzofuran (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 2-(alpha-oxobenzyl)benzofuran | Derriobtusone B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | 2'-Hydroxychalcone | Crassichalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']chalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 6'-Demethoxypraecansone B |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1(3-Methylbutadienyl))-B(none) | Flavanone | Tephroleocarpin B |
| 0.000 | [Flavanone]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flavanone | Emoroidenone |
| 0.000 | [Flavone]-A(1OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavone | Lanceolatin A(flavonoid) |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Flavone | Ciliatin A |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavonol | Pongapin |
| 0.000 | [Flav-3-ene]-A(2OMe, 1(C-Prenyl))-B(none) | Flav-3-ene | Tephrowatsin B |
| 0.000 | [Isoflavone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Dehydroneotenone |
| 0.000 | [Isoflavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Isoflavone | Garhwalin |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OH) | Pterocarpan-6a-ol | Clandestacarpin |
| 0.000 | [Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | Coumestan | Sojagol |
| 0.000 | [Coumestan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Coumestan | Isopsoralidin |
| 0.000 | [Rotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Rotenone | Dolineone |
| 0.000 | [3-Phenylcoumarin]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | 3-Phenylcoumarin | Pachyrrhizin |