ピーク情報
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リーフレタスグリーン
pos
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| Peak #9615 MN MID: SE198_S12_M90 |
| m/z: 423.10533, RT: 53.70, 強度: 7987, ログ強度: 0.41, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (9 names) Acetic acid, (4-chlorophenoxy)-, 2-hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester;Thonningine A;6-Oxo-6a,12a-dehydro-alpha-toxicarol;Tetracenomycin A2;6-Ketodehydroamo... |
| DBごとのヒット数: ALL 7 KG 1 KN 5 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: - |
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安定同位体ラベル実験で見積もられた原子数:
N: 0
S: 0
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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 |
|---|---|---|---|---|
| C18H19O6N4Cl | 422.09931 | -2.979 | Acetic acid, (4-chlorophenoxy)-, 2-hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester | HMDB: HMDB0254797 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 423.10550 |
| Splash: splash10-03di-0090000000-43f0fa02076d84d73e62 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 261.02 | 755 | 162 | 1000 |
| 404.27 | 64 | 19 | 84 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavonol]-A(2OH, 2(C-Prenyl))-B(1OH) | Flavonol | 6,8-Prenylkaempferol |
| 0.000 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavonol | Glyasperin A |
| 0.000 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavonol | Broussoflavonol F |
| 0.000 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(2OH) | Isoflavone | 6,8-Diprenylorobol |
| 0.000 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(2OH) | Isoflavone | 8-Prenylluteone |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Isoflavone | Isoangustone A |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Isoflavone | Angustone A |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Isoflavone | 2'-Hydroxyisolupalbigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavone | Epimedokoreanin B |
| 0.000 | [Flavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavone | Cudraflavone D |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | Flavanone | Euchrenone a8 |
| 0.000 | [Flavanone]-A(2OH)-B(1OMe, 2(C-Prenyl)) | Flavanone | Abyssinone V 4'-methyl ether |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe, 1(C-Prenyl)) | Flavanone | Nimbaflavone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 2(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | 5'-Prenylxanthohumol |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Pterocarpan | 1-Methoxyficifolinol |
| 0.000 | [Aurone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Aurone | Antiarone A |
| 0.000 | [Aurone]-A(2OH)-B(2OH, 2(C-Prenyl)) | Aurone | Antiarone B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(3,7-Dimethyl-6-hydroxyocta-2,7-dienyl))-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol G |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | 2'-Hydroxychalcone | Flemingin C |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | 2'-Hydroxychalcone | Flemingin B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Geranyl)-B(1OH) | 2'-Hydroxychalcone | 5-Deoxyhomoflemingin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH) | 2'-Hydroxychalcone | Flemingin E |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(3-Hydroxy-4-methyl-4-pentenyl)pyrano)))-B(1OH) | 2'-Hydroxychalcone | Flemingin F |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | 2'-Hydroxychalcone | Flemiwallichin B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | 2'-Hydroxychalcone | Flemiwallichin A |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(7-Methyl-7-hydroxy-4-propyl-3a,4,5,6,7,7a-hexahydrobenzofurano)))-B(none) | 2'-Hydroxychalcone | Linderol A |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH, 1(C-Xylosyl))-B(2OH) | Dihydrochalcone alpha-ol | 2',4',3,4,alpha-Pentahydroxydihydrochalcone 3'-C-xyloside |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(1OH) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | 4-Hydroxyglenoblone |
| 0.000 | [Flavanone]-A(1OH, 1Lavandulyl)-B(1OH, 1OMe) | Flavanone | Alopecurone G |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH) | Flavanone | Kushenol R |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavanone | Orotinin |
| 0.000 | [Flavanone]-A(2OH, 1(6-Ethyl-4-hydroxy-5-methyl-2-oxo-2H-pyran-3-yl))-B(none) | Flavanone | Lepidissipyrone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH) | Flavanone | Kushenol U |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(1OH, 1(3-Carboxy-4-hydroxyphenyl)) | Flavanone | 3'-(3-Carboxy-4-hydroxyphenyl)poriol |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)furano)))-B(1OH) | Flavanone | Lupinenol |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methyl-2,3-epoxybutyl))-B(1OH) | Flavanone | 2''',3'''-Epoxylupinifolin |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Flavanone | Dereticulatin |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Sigmoidin F |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavanone | Dorsmanin I |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Euchrestaflavanone C |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Cudraflavanone A |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavanone | Flemichin D |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano))) | Flavanone | Kuwanon F |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano))) | Flavanone | Sanggenon I |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano))) | Flavanone | Sanggenon N |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | Flavanone | Kuwanol C |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavanone | Euchrenone a9 |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Sanggenol N |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | Flavanone | Sanggenol L |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1([5,6:@@]-(1,1,3a-Trimethylhexahydro-4-oxa-cyclobuta[cd]indenyl))) | Flavanone | Kuwanon D |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | Flavone | Enantiomultijugin |
| 0.000 | [Flavone]-A(2OH)-B(1OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl)) | Flavone | Yinyanghuo B |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH, 1(C-Prenyl))-B(2OH) | 3-substituted Flavone | Mulberrin |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH, 1(C-Prenyl)) | 3-substituted Flavone | Kuwanon T |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH, 1(C-Prenyl))-B(2OH) | 3-substituted Flavone | Cudraflavone C |
| 0.000 | [Flavone]-A(2OH, 1Geranyl)-B(2OH) | Flavone | Albanin E |
| 0.000 | [Dihydroflavonol]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Dihydroflavonol | 3-Hydroxyminimiflorin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Dihydroflavonol | Lupinifolinol |
| 0.000 | [Flavonol]-A(2OH, 1Geranyl)-B(1OH) | Flavonol | Macarangin |
| 0.000 | [Flavonol]-A(2OH, 1Geranyl)-B(1OH) | Flavonol | Isomacarangin |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(3-(4-Hydroxyphenyl)allyl))-B(2OH) | Flavan 3-ol | 6-(3-(4-Hydroxyphenyl)allyl)catechin |
| 0.000 | [Isoflavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(C-Prenyl)) | Isoflavone | Lupinisol A |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Hydroxy-3-methylbutyl))-B(1OH) | Isoflavone | Euchrenone b6 |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Hydroxy-3-methylbutyl))-B(1OH) | Isoflavone | Euchrenone b7 |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Isoflavone | Euchrenone b10 |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1(C-Prenyl)) | Isoflavone | Lupinisoflavone G |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Isoflavone | Senegalensin |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH, 1(C-Prenyl)) | Isoflavone | Lupinisolone A |
| 0.000 | [Isoflavone]-A(2OH)-B(2OH, 1(C-Prenyl), 1(1,1-Dimethylallyl)) | Isoflavone | Fremontone |
| 0.000 | [Isoflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl)) | Isoflavanone | Cajanone |
| 0.000 | [Isoflavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | Isoflavanone | Lespedeol B |
| 0.000 | [Isoflavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavanone | 2,3-Dihydroauriculatin |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH, 1OMe) | Isoflavan | Nitidulin |
| 0.000 | [6-Oxodehydrorotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 6-Oxodehydrorotenone | Villosone |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(2OMe, 1([2,3:@@]-(5-Isopropenylfurano)))-B(1([@@]-Methylenedioxy)) | 4-Hydroxy-3-phenylcoumarin | Thonningine A |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1Isovaleryl, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none) | 4-phenylcoumarin | 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(3-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1(2-Methylbutyroyl), 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none) | 4-phenylcoumarin | 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(2-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one |