ピーク情報
|
イチョウ 葉
pos
|
| Peak #6402 MN MID: SE205_S01_M90 |
| m/z: 459.22262, RT: 59.19, 強度: 13732, ログ強度: 0.59, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4 |
| DB検索結果: Marioside |
| DBごとのヒット数: ALL 1 KN 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.143 |
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 |
|---|---|---|---|---|
| C22H34O10 | 458.21520 | 0.327 | Marioside | KNApSAcK: C00024028 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 459.22226 |
| Splash: splash10-00kr-0009200000-4851c03e0bf63306a629 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 385.27 | 783 | 74 | 1000 |
| 367.31 | 595 | 92 | 760 |
| 441.34 | 286 | 18 | 365 |
| 349.31 | 162 | 110 | 207 |
| 403.33 | 126 | 56 | 160 |
| 423.46 | 47 | 36 | 59 |
| 233.23 | 44 | 226 | 55 |
| 339.11 | 42 | 120 | 53 |
| 357.40 | 40 | 102 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Galloyl)) | Flavan 3-ol | Gallocatechin 3-O-gallate |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Sophoradochromene |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1(C-Prenyl), 1([3,4,5:@@@]-(1,7,7-Trimethyl-2,6-dioxa-tricyclo[6.2.2.0(4,9)]dodecene)))-B(none) | 2'-Hydroxychalcone | 3'-Prenylrubranine |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Sophoranochromene |
| 0.000 | [Isoflavone]-A(1OH, 1(1(O-Acetyl)-C-Glu))-B(1OH) | Isoflavone | Puerarin 6''-O-acetate |
| 0.000 | [Isoflavone]-A(1OH, 1(2(O-Acetyl)-C-Glu))-B(1OH) | Isoflavone | Puerarin 4',6''-O-diacetate |
| Level: 3, プリカーサーm/z: 385.27444 |
| Splash: splash10-014i-0149000000-2bb019a9cbcc2cd79e7e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 367.34 | 136 | 18 | 1000 |
| 237.13 | 21 | 148 | 156 |
| 357.34 | 21 | 28 | 155 |
| 259.07 | 20 | 126 | 145 |
| 221.13 | 18 | 164 | 132 |
| 272.92 | 17 | 112 | 127 |
| 197.37 | 14 | 188 | 104 |
| 129.19 | 13 | 256 | 99 |
| 349.44 | 13 | 36 | 96 |
| 342.24 | 10 | 43 | 75 |
| 251.30 | 10 | 134 | 71 |
| 199.08 | 9 | 186 | 68 |
| 321.42 | 9 | 64 | 66 |
| 209.08 | 8 | 176 | 56 |
| 159.11 | 7 | 226 | 54 |
| 331.45 | 7 | 54 | 53 |
| 341.44 | 7 | 44 | 50 |
| 339.23 | 7 | 46 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.143 | [Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Piscerythrone |
| 0.143 | [Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Piscidone |
| 0.088 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | Gancaonin P 3'-methyl ether |
| 0.088 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | 8-Prenylquercetin 4'-methyl ether |
| 0.065 | [Flavanone]-A(2OH)-B(2OMe, 1(C-Prenyl)) | Flavanone | 5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone |
| 0.040 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Dihydroflavonol | Eriotrinol |
| 0.040 | [Dihydroflavonol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Dihydroflavonol | 3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone |
| 0.000 | [CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe)-B(1OH) | CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone | Oxyisocyclointegrin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | Uralene |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavonol | 5,7,3',4'-Tetrahydroxy-3-methoxy-6-prenylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | 5,7,3',4'-Tetrahydroxy-3-methoxy-5'-prenylflavone |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(4,6,6-Dimethyldihydropyrano)))-B(2OH) | Flavonol | 4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone |
| 0.000 | [Isoflavone]-A(2OH, Hydroxyprenyl)-B(1OH, 1OMe) | Isoflavone | Gancaonin D |
| 0.000 | [Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(1,1-Dimethylallyl)) | Isoflavanone | Echinoisosophoranone |
| 0.000 | [Isoflavanone-3-ol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavanone-3-ol | Sophoronol |
| 0.000 | [Coumestan]-A(1OH)-B(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl)) | Coumestan | Mirificoumestan hydrate |
| 0.000 | [3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6-Hydroxymethyl-6-methyldihydropyrano)))-B(2OH) | 3-Phenylcoumarin | Licopyranocoumarin |
| Level: 3, プリカーサーm/z: 367.30682 |
| Splash: splash10-0002-0159000000-dd46d4344b82faab405a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 349.38 | 94 | 18 | 1000 |
| 339.35 | 24 | 28 | 251 |
| 338.57 | 15 | 29 | 158 |
| 257.16 | 14 | 110 | 144 |
| 229.15 | 13 | 138 | 137 |
| 243.21 | 12 | 124 | 131 |
| 297.15 | 11 | 70 | 119 |
| 267.38 | 10 | 100 | 105 |
| 268.89 | 10 | 98 | 101 |
| 167.00 | 9 | 200 | 91 |
| 169.07 | 8 | 198 | 85 |
| 238.34 | 8 | 129 | 84 |
| 193.19 | 6 | 174 | 62 |
| 331.45 | 6 | 36 | 62 |
| 212.96 | 5 | 154 | 54 |
| 223.40 | 5 | 144 | 54 |
| 170.84 | 5 | 196 | 51 |
| 323.17 | 5 | 44 | 50 |
| 219.43 | 5 | 148 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.121 | [Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Barpisoflavone C |
| 0.121 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Isoflavone | 3'-Hydroxyalpinumisoflavone 4'-methyl ether |
| 0.115 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | 3,4-Dimethoxylonchocarpin |
| 0.083 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Pterocarpan | Edulenane |
| 0.074 | [Coumestan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Coumestan | Mirificoumestan |
| 0.074 | [Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl)) | Coumestan | Puerarostan |
| 0.074 | [Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl)) | Coumestan | 3,9-Dihydroxy-1-methoxy-8-prenylcoumestan |
| 0.074 | [Coumestan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Coumestan | Glycyrol |
| 0.074 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 2'-Hydroxychalcone | Glychalcone A |
| 0.074 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 2'-Hydroxychalcone | 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone |
| 0.071 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Ponganone III |
| 0.071 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | Glyflavanone A |
| 0.030 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavonol | 6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Flavone | Racemoflavone |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Flavone | 5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(3-methyl-6-oxo-2-hexenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol C |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | Praecansone B |
| 0.000 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Flavanone | O-Methylovaliflavanone C |
| 0.000 | [Flavone]-A(2OMe, 1(cis-3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavone | cis-Tephrostachin |
| 0.000 | [Flavone]-A(2OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavone | trans-Tephrostachin |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(2OH) | Flavone | Desmodol |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | 3'-Methoxypongapin |
| 0.000 | [Flavonol]-A(2OH, 1Sulfate)-B(1OH) | Flavonol | Kaempferol 8-C-sulfate |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Flavonol | Vellokaempferol 3-methyl ether |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Isoflavone | Derrubone |
| 0.000 | [Pterocarpan]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautenanol |
| 0.000 | [Coumestan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Coumestan | Isoglycyrol |
| 0.000 | [Rotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Rotenone | Pachyrrhizone |
| 0.000 | [12a-Hydroxyrotenone (12a-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | 12a-Methoxydolineone |
| 0.000 | [3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | 3-Phenylcoumarin | Neofolin |