ピーク情報
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リーフレタスグリーン
pos
|
| Peak #10695 MN MID: SE198_S12_M90 |
| m/z: 547.14545, RT: 59.27, 強度: 65704, ログ強度: 1.32, 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: (13 names) Judaicin 7-O-(6''-O-malonylglucoside);7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflav-3-ene 7-O-(6''-malonylglucoside);Dehydrogaertneroside;(-)-Dehydrogaertneroside;Glycitein 7-O-(6''-succinylglucosi... |
| DBごとのヒット数: ALL 9 KN 7 HM 2 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.167 |
|
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 |
|---|---|---|---|---|
| C26H26O13 | 546.13734 | 1.531 | Judaicin 7-O-(6''-O-malonylglucoside) | KNApSAcK: C00019472 |
| C26H26O13 | 546.13734 | 1.531 | Dehydrogaertneroside | KNApSAcK: C00044697 |
| C26H26O13 | 546.13734 | 1.531 | Glycitein 7-O-(6''-succinylglucoside) | KNApSAcK: C00019758 |
| C26H26O13 | 546.13734 | 1.531 | Scutellarein 4'-methyl ether 7-(2'',6''-diacetylalloside) | FlavonoidViewer: FL3FEAGS0032 KNApSAcK: C00004490 LipidMAPS: LMPK12111136 |
| C26H26O13 | 546.13734 | 1.531 | Afrormosin 7-O-(6''-malonylglucoside) | FlavonoidViewer: FLIA2AGS0006 HMDB: HMDB0039083 KNApSAcK: C00010169 LipidMAPS: LMPK12050099 |
| C26H26O13 | 546.13734 | 1.531 | Quercetin 7-(6''-tiglylglucoside) | FlavonoidViewer: FL5FACGI0001 KNApSAcK: C00005969 LipidMAPS: LMPK12112085 |
| C26H26O13 | 546.13734 | 1.531 | Biochanin A 7-(6-methylmalonylglucoside) | HMDB: HMDB0030641 |
| C26H26O13 | 546.13734 | 1.531 | Isorhamnetin 3-[6''-(2-(E)-butenoyl)-glucoside] | FlavonoidViewer: FL5FADGL0036 KNApSAcK: C00006007 LipidMAPS: LMPK12110590 |
| C25H22O3N6ClF3 | 546.13940 | -2.242 | Telotristat | HMDB: HMDB0258794 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 547.14520 |
| Splash: splash10-0002-0090000000-5f881d427bb8d40fa834 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 299.12 | 52607 | 248 | 1000 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 299.13718 |
| Splash: splash10-001i-0090000000-da958aeb338a49513931 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 284.04 | 5542 | 15 | 1000 |
| 299.12 | 1528 | 0 | 275 |
| 256.18 | 469 | 43 | 84 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.167 | [Flavone]-A(1OH)-B(2OMe) | Flavone | 7-Hydroxy-3',4'-dimethoxyflavone |
| 0.167 | [Flavone]-A(1OMe)-B(1OH, 1OMe) | Flavone | Tithonine |
| 0.167 | [Flavone]-A(1OH, 1OMe)-B(1OMe) | Flavone | 5-Hydroxy-6,2'-dimethoxyflavone |
| 0.167 | [Flavone]-A(1OH, 1OMe)-B(1OMe) | Flavone | 5-Hydroxy-7,2'-dimethoxyflavone |
| 0.167 | [Flavone]-A(1OH, 1OMe)-B(1OMe) | Flavone | Apigenin 5,4'-dimethyl ether |
| 0.167 | [Flavone]-A(2OMe)-B(1OH) | Flavone | Apigenin 5,7-dimethyl ether |
| 0.167 | [Flavone]-A(1OH, 1OMe)-B(1OMe) | Flavone | Apigenin 7,4'-dimethyl ether |
| 0.167 | [Flavone]-A(1OH, 2OMe)-B(none) | Flavone | Baicalein 5,6-dimethyl ether |
| 0.167 | [Flavone]-A(1OH, 2OMe)-B(none) | Flavone | Mosloflavone |
| 0.167 | [Flavone]-A(1OH, 2OMe)-B(none) | Flavone | Norwogonin 5,8-dimethyl ether |
| 0.167 | [Flavone]-A(1OH, 2OMe)-B(none) | Flavone | Moslosooflavone |
| 0.125 | [Flavonol]-A(2OMe)-B(none) | Flavonol | Galangin 5,7-dimethyl ether |
| 0.118 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | 8-O-Methylretusin |
| 0.100 | [Isoflavone]-A(1OH)-B(2OMe) | Isoflavone | Cladrin |
| 0.100 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe) | Isoflavone | Afrormosin |
| 0.100 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe) | Isoflavone | Alfalone |
| 0.100 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe) | Isoflavone | 5-O-Methylbiochanin A |
| 0.100 | [Isoflavone]-A(1OMe)-B(1OH, 1OMe) | Isoflavone | Sayanedine |
| 0.000 | [Coumestan]-A(1OH)-B(1OH, 1OMe) | Coumestan | 8-Methoxycoumestrol |
| 0.000 | [Coumestan]-A(1OH)-B(1OH, 1OMe) | Coumestan | Trifoliol |
| 0.000 | [Coumestan]-A(1OH, 1OMe)-B(1OH) | Coumestan | Sativol |
| 0.000 | [Chalcone]-A(1OH, 1OMe, 1Formyl)-B(1OH) | Chalcone | Isoneobavachalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1Formyl)-B(1OH) | 2'-Hydroxychalcone | Neobavachalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1Methyl)-B(none) | 2'-Hydroxychalcone | Aurentiacin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 2Methyl)-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone]-A(1OH, 1OMe, 2Methyl)-B(none) | UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone | Ceroptene |
| 0.000 | [UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone]-A(1Methoxycarbonylmethyl)-B(none) | UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone | Infectocaryone |
| 0.000 | [Flavanone]-A(1OMe, 1Methyl)-B(1OMe) | Flavanone | 7,4'-Dimethoxy-6-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OMe, 1Methyl)-B(none) | Flavanone | 5,7-Dimethoxy-6-C-methylflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 2Methyl)-B(none) | Flavanone | 5-Hydroxy-7-methoxy-6,8-di-C-methylflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 2Methyl)-B(none) | Flavanone | 6,8-Di-C-methylpinocembrin 5-methyl ether |
| 0.000 | [Flavanone]-A(2OH, 1Formyl, 1Methyl)-B(none) | Flavanone | Lawinal |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Flavone | 8-Demethylsideroxylin |
| 0.000 | [Flavone]-A(2OH, 2Methyl)-B(1OH) | Flavone | Syzalterin |
| 0.000 | [Flavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Flavone | Kanzakiflavone 2 |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(none) | Flavonol | Galangin 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(none) | Flavonol | 5,7-Dihydroxy-3-methoxy-8-methylflavone |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavonol | 3,5-Dihydroxy-7-methoxy-8-methylflavone |
| 0.000 | [Flavonol]-A(2OH, 2Methyl)-B(none) | Flavonol | 6,8-Dimethylgalangin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavone | Peltogynin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavone | Mopanin |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH, 1OMe)-B(1OMe) | 3-DehydroxyAnthocyanidin | Carajurin |
| 0.000 | [Isoflavone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy)) | Isoflavone | 2-Hydroxypseudobaptigenin |
| 0.000 | [Isoflavone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy)) | Isoflavone | Glyzaglabrin |
| 0.000 | [Isoflavone]-A(2OH)-B(1([@@]-Methylenedioxy)) | Isoflavone | 5-Hydroxypseudobaptigenin |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Isoflavone | Irisone B |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Isoflavone | Irilone |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavone]-A(1OH)-B(1OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavone | Bowdichione |
| 0.000 | [Pterocarpan]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan | Pterocarpin |
| 0.000 | [3-Phenylcoumarin]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy)) | 3-Phenylcoumarin | 7,2'-Dihydroxy-4',5'-methylenedioxy-3-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 2OMe)-B(none) | 4-phenylcoumarin | Kuhlmannin |
| 0.000 | [4-phenylcoumarin]-A(2OMe)-B(1OH) | 4-phenylcoumarin | 4'-Hydroxy-5,7-dimethoxy-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(1OMe) | 4-phenylcoumarin | 5-Hydroxy-7,4'-dimethoxy-4-phenylcoumarin |
| 0.000 | [CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OMe)-B(2OH) | CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin | 4',5'-Dihydroxy-7-methoxy-5,2'-oxido-4-phenylcoumarin |