ピーク情報
|
パセリ 根
pos
|
| Peak #1776 MN MID: SE61_S24_M90 |
| m/z: 367.08123, RT: 15.77, 強度: 2849, ログ強度: -0.04, 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: (11 names) Daphnoretin methyl ether;Neofolin;Mutisifuro coumarin diacetate;Theasaponin F1;3'-Methoxypongapin;Haplomyrtin;Preussomerin EG2;(-)-Preussomerin EG2;Pachyrrhizone;12a-Methoxydolineone;Arnottin II |
| DBごとのヒット数: ALL 10 KG 3 KN 7 |
| FlavonoidSearch最大スコア MS2: 0.172, 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 |
|---|---|---|---|---|
| C20H14O7 | 366.07395 | 0.002 | Daphnoretin methyl ether | HMDB: HMDB0039046 KNApSAcK: C00055391 |
| C20H14O7 | 366.07395 | 0.002 | Neofolin | FlavonoidViewer: FLIH3LNF0001 KNApSAcK: C00009784 LipidMAPS: LMPK12160016 |
| C20H14O7 | 366.07395 | 0.002 | Mutisifuro coumarin diacetate | KNApSAcK: C00019975 |
| C20H14O7 | 366.07395 | 0.002 | 3'-Methoxypongapin | FlavonoidViewer: FL5F1GNF0001 KNApSAcK: C00005093 LipidMAPS: LMPK12111576 |
| C20H14O7 | 366.07395 | 0.002 | Tetracenomycin F1 | HMDB: HMDB0302085 KEGG: C12367 |
| C20H14O7 | 366.07395 | 0.002 | Haplomyrtin | KNApSAcK: C00030455 |
| C20H14O7 | 366.07395 | 0.002 | Preussomerin EG2 | KNApSAcK: C00034171 |
| C20H14O7 | 366.07395 | 0.002 | 12a-Methoxydolineone | FlavonoidViewer: FLIFHXNF0002 KNApSAcK: C00009583 LipidMAPS: LMPK12060034 |
| C20H14O7 | 366.07395 | 0.002 | Pachyrrhizone | FlavonoidViewer: FLIF3LNF0001 KEGG: C10512 KNApSAcK: C00002556 LipidMAPS: LMPK12060023 |
| C20H14O7 | 366.07395 | 0.002 | Arnottin II | KEGG: C12258 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 367.08105 |
| Splash: splash10-00di-0249000000-e6ac1bf7c010d00d157e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 321.00 | 1330 | 46 | 1000 |
| 218.94 | 605 | 148 | 454 |
| 188.05 | 243 | 179 | 182 |
| 348.34 | 181 | 19 | 136 |
| 306.99 | 181 | 60 | 136 |
| 349.17 | 164 | 18 | 123 |
| 323.12 | 154 | 44 | 115 |
| 277.14 | 119 | 90 | 89 |
| 170.00 | 106 | 197 | 79 |
| 278.98 | 105 | 88 | 79 |
| 203.99 | 102 | 163 | 76 |
| 237.17 | 94 | 130 | 70 |
| 276.31 | 92 | 91 | 69 |
| 186.12 | 85 | 181 | 63 |
| 302.92 | 78 | 64 | 58 |
| 185.13 | 67 | 182 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.172 | [Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Barpisoflavone C |
| 0.172 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Isoflavone | 3'-Hydroxyalpinumisoflavone 4'-methyl ether |
| 0.148 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavonol | 6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether |
| 0.045 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Pterocarpan | Edulenane |
| 0.040 | [Coumestan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Coumestan | Mirificoumestan |
| 0.040 | [Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl)) | Coumestan | Puerarostan |
| 0.040 | [Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl)) | Coumestan | 3,9-Dihydroxy-1-methoxy-8-prenylcoumestan |
| 0.040 | [Coumestan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Coumestan | Glycyrol |
| 0.040 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 2'-Hydroxychalcone | Glychalcone A |
| 0.040 | [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 |
| 0.040 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | 3,4-Dimethoxylonchocarpin |
| 0.038 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Ponganone III |
| 0.038 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | Glyflavanone A |
| 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 |