ピーク情報
|
リーフレタスグリーン
pos
|
| Peak #9763 MN MID: SE198_S12_M90 |
| m/z: 500.15614, RT: 54.40, 強度: 258221, ログ強度: 1.92, アダクト: [M+NH4]+, 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) Cadensin B;Catiguanin A;(-)-Catiguanin A;Silydianin;Hyperielliptone HC;Isosilybin;Silybin;(2R)-4,5,7-Trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6... |
| DBごとのヒット数: ALL 12 KG 3 KN 7 HM 1 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.091 |
|
安定同位体ラベル実験で見積もられた原子数:
N: 0
S: 0
|
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 |
|---|---|---|---|---|
| C25H22O10 | 482.12130 | 2.121 | Cadensin B | KNApSAcK: C00036852 |
| C25H22O10 | 482.12130 | 2.121 | Catiguanin A | KNApSAcK: C00038713, C00038714 |
| C25H22O10 | 482.12130 | 2.121 | Silydianin | FlavonoidViewer: FL4DQUNN0001 KNApSAcK: C00008664 |
| C25H22O10 | 482.12130 | 2.121 | Hyperielliptone HC | KNApSAcK: C00039393 |
| C25H22O10 | 482.12130 | 2.121 | Isosilybin | FlavonoidViewer: FL4DACNN0003 HMDB: HMDB0033322 KEGG: C16808 KNApSAcK: C00008662, C00039453, C00039454 LipidMAPS: LMPK12140713, LMPK12140714 |
| C25H22O10 | 482.12130 | 2.121 | Silybin | FlavonoidViewer: FL4DACNN0001 HMDB: HMDB0030583 KEGG: C07610 KNApSAcK: C00001003, C00040305 LipidMAPS: LMPK12140712 |
| C25H22O10 | 482.12130 | 2.121 | (2R)-4,5,7-Trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-3-one | HMDB: HMDB0248916 |
| C25H22O10 | 482.12130 | 2.121 | LipidMAPS: LMPK12140715 |
|
| C25H22O10 | 482.12130 | 2.121 | Cadensin C | KNApSAcK: C00036853 |
| C25H22O10 | 482.12130 | 2.121 | Isosilychristin | FlavonoidViewer: FL4DACNN0004 HMDB: HMDB0033323 KNApSAcK: C00008663 |
| C25H22O10 | 482.12130 | 2.121 | Lactucopicrin-15-oxalate | KNApSAcK: C00034018 |
| C25H22O10 | 482.12130 | 2.121 | Silychristin | FlavonoidViewer: FL4DACNN0002 HMDB: HMDB0033953 KEGG: C08717 KNApSAcK: C00001004, C00040306 LipidMAPS: LMPK12140717, LMPK12140718 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 500.15582 |
| Splash: splash10-001i-0001900000-a6f3fd673d173b499955 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 482.88 | 45569 | 17 | 1000 |
| 331.09 | 9052 | 169 | 198 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 331.09204 |
| Splash: splash10-0006-0090000000-8f6720fbc5fda786fd06 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 241.11 | 2386 | 90 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.091 | [Chalcone]-A(1OH, 4OMe)-B(none) | Chalcone | Isodidymocarpin |
| 0.000 | [Flavone]-A(2OH)-B(1OH, 2OMe) | Flavone | 6,7,4'-Trihydroxy-3',5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,4',5'-Trihydroxy-6,2'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH)-B(1OH, 2OMe) | Flavone | Apometzgerin |
| 0.000 | [Flavone]-A(2OH)-B(1OH, 2OMe) | Flavone | Tricin |
| 0.000 | [Flavone]-A(2OMe)-B(3OH) | Flavone | Isoetin 5,7-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | 5,2',6'-Trihydroxy-6,7-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | 6-Hydroxyluteolin 5,6-dimethyl ether |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Jaceosidin |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Desmethoxycentaureidin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | Cirsiliol |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | 6-Hydroxyluteolin 7,3'-dimethyl ether |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Nuchensin |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Tamaridone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | 5,2',3'-Trihydroxy-7,8-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | Rehderianin I |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | Viscidulin II |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | 5,7,2'-Trihydroxy-8,6'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Hypolaetin 7,3'-dimethyl ether |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Hypolaetin 8,3'-dimethyl ether |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | 5,8,2'-Trihydroxy-6,7-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | 5,7,2'-trihydroxy-6,8-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | Isothymusin |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | Desmethoxysudachitin |
| 0.000 | [Flavone]-A(3OH, 1OMe)-B(1OMe) | Flavone | 5,6,8-Trihydroxy-7,4'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | Thymusin |
| 0.000 | [Flavone]-A(3OH, 1OMe)-B(1OMe) | Flavone | 5,6,7-Trihydroxy-8,4'-dimethoxyflavone |
| 0.000 | [Anthocyanidin]-A(1OH, 1OMe)-B(2OH, 1OMe) | Anthocyanidin | Europinidin |
| 0.000 | [Anthocyanidin]-A(2OH)-B(1OH, 2OMe) | Anthocyanidin | Malvidin |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(1OH, 1OMe)-B(1OMe) | Dihydroflavonol | 7-Hydroxy-3,5,4'-trimethoxyflavanone |
| 0.000 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | Podospicatin |
| 0.000 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | Iristectorigenin B |
| 0.000 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | Iristectorigenin A |
| 0.000 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | 5,7,4'-Trihydroxy-8,3'-dimethoxyisoflavone |
| 0.000 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | 5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone |
| 0.000 | [Isoflavone]-A(1OH, 2OMe)-B(2OH) | Isoflavone | 6-Methoxyorobol 7-methyl ether |
| 0.000 | [Isoflavone]-A(2OH)-B(1OH, 2OMe) | Isoflavone | 2'-Hydroxy-5'-methoxybiochanin A |
| 0.000 | [Dihydroflavonol]-A(2OMe)-B(1OMe) | Dihydroflavonol | 3-Hydroxy-5,7,4'-trimethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 3OMe)-B(none) | Flavanone | Isopedicin |
| 0.000 | [Flavanone]-A(1OH, 3OMe)-B(none) | Flavanone | 5-Hydroxy-6,7,8-trimethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 3OMe)-B(none) | Flavanone | Kwangsienin A |
| 0.000 | [Flavanone]-A(2OMe)-B(1OH, 1OMe) | Flavanone | 4'-Hydroxy-5,7,2'-trimethoxyflavanone |
| 0.000 | [Flavanone]-A(3OMe)-B(1OH) | Flavanone | 4'-Hydroxy-5,6,7-trimethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 2OMe)-B(1OMe) | Flavanone | 5-Hydroxy-6,7,4'-trimethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 2OMe)-B(1OMe) | Flavanone | 7-Hydroxy-5,8,2'-trimethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 2OMe)-B(1OMe) | Flavanone | 5-Hydroxy-7,8,4'-trimethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe)-B(2OMe) | Flavanone | 5-Hydroxy-7,2',3'-trimethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe)-B(2OMe) | Flavanone | Eriodictyol 7,3',4'-trimethyl ether |
| 0.000 | [Flavanone]-A(1OH, 1OMe)-B(2OMe) | Flavanone | Cerasinone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH) | 2'-Hydroxychalcone | 4,6'-Dihydroxy-2',3',4'-trimethoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH) | 2'-Hydroxychalcone | 4,2'-Dihydroxy-3',4',6'-trimethoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 2OMe)-B(1OMe) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-2,3',6'-trimethoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe) | 2'-Hydroxychalcone | Okanin 3,4,3'-trimethyl ether |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe) | 2'-Hydroxychalcone | Cerasin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 4,2'-Dihydroxy-3,4',6'-trimethoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 3,2'-Dihydroxy-4,4',6'-trimethoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 3OMe)-B(none) | 2'-Hydroxychalcone | Pedicin |
| 0.000 | [Flavonol]-A(2OH, 2OMe)-B(none) | Flavonol | 3,5,7-Trihydroxy-6,8-dimethoxyflavone |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(1OMe) | Flavonol | Betuletol |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(1OMe) | Flavonol | 3,5,6-Trihydroxy-7,4'-dimethoxyflavone |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(1OMe) | Flavonol | Herbacetin 7,4'-dimethyl ether |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(1OMe) | Flavonol | Prudomestin |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OH) | Flavonol | 6-Hydroxykaempferol 5,6-dimethyl ether |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OH) | Flavonol | Herbacetin 7,8-dimethyl ether |
| 0.000 | [Flavonol]-A(1OH)-B(1OH, 2OMe) | Flavonol | Laurentinol |
| 0.000 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | 3,5,2'-Trihydroxy-7,5'-dimethoxyflavone |
| 0.000 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetin 5,3'-dimethyl ether |
| 0.000 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetin 5,4'-dimethyl ether |
| 0.000 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Rhamnazin |
| 0.000 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Ombuin |
| 0.000 | [Flavonol]-A(2OH)-B(2OMe) | Flavonol | Morelosin |
| 0.000 | [Flavonol]-A(2OH)-B(2OMe) | Flavonol | Dillenetin |
| 0.000 | [Pterocarpan]-A(1OH, 2OMe)-B(1OMe) | Pterocarpan | 4-Hydroxy-2,3,9-trimethoxypterocarpan |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(2OMe) | Pterocarpan | Melilotocarpan C |
| 0.000 | [Pterocarpan]-A(1OH)-B(3OMe) | Pterocarpan | 9-O-Methylphilenopteran |
| 0.000 | [Pterocarpan]-A(2OMe)-B(1OH, 1OMe) | Pterocarpan | Odoricarpan |
| 0.000 | [Isoflavanone]-A(1OH)-B(3OMe) | Isoflavanone | 3'-O-Methylviolanone |
| 0.000 | [Isoflavanone]-A(1OMe)-B(1OH, 2OMe) | Isoflavanone | 3'-Methoxyisosativanone |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OMe, 1([@@]-Methylenedioxy))-B(none) | Dihydrochalcone beta-ol | beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone |
| 0.000 | [Flavanone]-A(2OH, 2Methyl)-B(1OH, 1OMe) | Flavanone | 5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OH, 2Methyl)-B(1OH, 1OMe) | Flavanone | 2'-Hydroxymatteucinol |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone]-A(1OH, 1OMe)-B(1OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone | Remerin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH)-C(1(O-Acetyl)) | Dihydroflavonol | Aromadendrin 3-O-acetate |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH, 1OMe)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone | 5-Methoxypeltogynone |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH, 1OMe)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone | 5-Methoxymopanone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH) | Flavonol | 7,3',4'-Trihydroxy-3,8-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe) | Flavonol | 7,8,4'-Trihydroxy-3,3'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe) | Flavonol | Quercetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe) | Flavonol | Quercetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH) | Flavonol | Caryatin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH) | Flavonol | Quercetin 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH) | Flavonol | 6-C-Methylquercetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH) | Flavonol | 8-C-Methylquercetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OMe) | Flavonol | 6-Hydroxykaempferol 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH) | Flavonol | 6-Methoxykaempferol 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH) | Flavonol | 6-Hydroxykaempferol 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OMe) | Flavonol | 5,7,8-Trihydroxy-3,4'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH) | Flavonol | 3,7-Dimethylherbacetin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH) | Flavonol | Herbacetin 3,8-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH, 1OMe)-B(none) | Flavonol | 5,7,8-Trihydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavan 3-ol]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavan 3-ol | 3',4'-Methylenedioxy catechin 5,7-dimethyl ether |
| 0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-oxodihydropyrano)-Flavan 3-ol]-A(1OH)-B(2OH) | CCS-type derivative / [2,3,4:5,4a,4]-(6-oxodihydropyrano)-Flavan 3-ol | Dryopterin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan]-A(2OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan | 8-Hydroxy-5,5-dimethylpeltogynan |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(2OH, 2Methyl)-B(1OMe) | Flavan 4-ol | 5,7-Dihydroxy-4,4'-dimethoxy-6,8-dimethylflavan |
| 0.000 | [Pterocarpan]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan | Trifolian |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Hildecarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Tephrocarpin |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1OMe)-B(1OH) | 12a-Hydroxyrotenone | 4,11,12a-Trihydroxy-9-methoxyrotenone |
| 0.000 | [4-phenylcoumarin]-A(1OH, 2OMe)-B(2OH) | 4-phenylcoumarin | 8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin |
| Level: 3, プリカーサーm/z: 482.87558 |
| Splash: splash10-001i-0019000000-cffeddf3a8faf0a4374d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 331.02 | 313 | 152 | 1000 |
| 241.19 | 52 | 242 | 165 |
| 312.71 | 17 | 170 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1([2,3:@@]-(5-Hydroxymethyl-6-(p-hydroxy-m-methoxyphenyl)-dihydro[1,4]dioxinyl))) | Dihydroflavonol | Silybin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1([2,3:@@]-(5-Hydroxymethyl-6-(p-hydroxy-m-methoxyphenyl)-dihydro[1,4]dioxinyl))) | Dihydroflavonol | Isosilybin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1([2,3:@@]-(4-Hydroxymethyl-5-(p-hydroxy-m-methoxyphenyl)dihydrofurano))) | Dihydroflavonol | Silychristin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1([2,3:@@]-(4-Hydroxymethyl-5-(p-hydroxy-m-methoxyphenyl)dihydrofurano))) | Dihydroflavonol | Isosilychristin |
| 0.000 | [UBR-type derivative / 3'-Oxocyclohexa-1'-enyl-type dihydroflavonol]-A(2OH)-B(1OH, 1(m-((4-Hydroxy-3-methoxyphenyl)-([5,4;n,o]-tetrahydrofuran-3-yl)-methyl))) | UBR-type derivative / 3'-Oxocyclohexa-1'-enyl-type dihydroflavonol | Silydianin |
| 0.000 | [Flavonol]-A(2OH, 1(2-Carboxy-1-(4-hydroxyphenyl)-ethyl))-B(3OH) | Flavonol | 8-(2-Carboxy-1-(4-hydroxyphenyl)-ethyl)myricetin |
関連ピーク情報
| ピーク番号 | 保持時間 (min) | m/z | m/z差分 | ログ強度 | アダクト | DB検索結果 | ヒット数 | MSn | FS2 | FS3 | N原子数 | S原子数 | 共有数 |
|---|