ピーク情報
|
よもぎ 葉 生
pos
|
| Peak #9413 MN MID: SE116_S063011_M90 |
| m/z: 377.19576, RT: 83.57, 強度: 326185, ログ強度: 2.03, 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: (31 names) Jamesoniellide J;Angustifolin;(-)-Angustifolin;1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol;Eupaglehnin D;(+)-Eupaglehnin D;16alpha-Hydroxyprednisolone;11,12,14-Trihydroxy-7-methoxy-8,11,13-abie... |
| DBごとのヒット数: ALL 24 KG 2 KN 16 HM 5 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.200, 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 |
|---|---|---|---|---|
| C21H28O6 | 376.18859 | -0.290 | Jamesoniellide J | KNApSAcK: C00039483 |
| C21H28O6 | 376.18859 | -0.290 | 1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol | HMDB: HMDB0303086 KNApSAcK: C00055175 |
| C21H28O6 | 376.18859 | -0.290 | Eupaglehnin D | KNApSAcK: C00032955 |
| C21H28O6 | 376.18859 | -0.290 | 16alpha-Hydroxyprednisolone | HMDB: HMDB0061016, HMDB0244573 |
| C21H28O6 | 376.18859 | -0.290 | Peucephyllin | KNApSAcK: C00011789 |
| C21H28O6 | 376.18859 | -0.290 | Rhipocephalin | KEGG: C09714 KNApSAcK: C00003177 |
| C21H28O6 | 376.18859 | -0.290 | 19-Hydroxysecochiliolide acid methyl ester | KNApSAcK: C00022531 |
| C21H28O6 | 376.18859 | -0.290 | 18-Oxocortisol | HMDB: HMDB0000332 LipidMAPS: LMST02030194, LMST02030296 |
| C21H28O6 | 376.18859 | -0.290 | Glaucogenin A | KNApSAcK: C00030407 |
| C21H28O6 | 376.18859 | -0.290 | Picrasin B | KEGG: C17050 |
| C21H28O6 | 376.18859 | -0.290 | beta-hydroxyprednisolone | HMDB: HMDB0249133 |
| C21H28O6 | 376.18859 | -0.290 | 6beta,17,21-trihydroxypregn-4-ene-3,11,20-trione | LipidMAPS: LMST02030308 |
| C21H28O6 | 376.18859 | -0.290 | Sauriol B | KNApSAcK: C00034970 |
| C21H28O6 | 376.18859 | -0.290 | Angustifolin | KNApSAcK: C00036615, C00036726 |
| C21H28O6 | 376.18859 | -0.290 | 11,12,14-Trihydroxy-7-methoxy-8,11,13-abietatrien-20,6-olide | HMDB: HMDB0031932 |
| C21H28O6 | 376.18859 | -0.290 | Jamesoniellide A | KNApSAcK: C00039475 |
| C21H28O6 | 376.18859 | -0.290 | Norcaesalpinin E | KNApSAcK: C00030832 |
| C21H28O6 | 376.18859 | -0.290 | Maoecrystal Q | KNApSAcK: C00051474 |
| C21H28O6 | 376.18859 | -0.290 | 4beta-Hydroxy-3alpha,6alpha,15,16-bis-epoxy-cis-clerodane-13(16),14-dien-20,12-olide | KNApSAcK: C00022568 |
| C21H28O6 | 376.18859 | -0.290 | 12-O-Methylcandesalvone B | KNApSAcK: C00050630 |
| C21H28O6 | 376.18859 | -0.290 | 12alpha-Hydroxy-13,18-dehydroparain | HMDB: HMDB0039557 |
| C21H28O6 | 376.18859 | -0.290 | Eupaglehnin A | KNApSAcK: C00032952 |
| C21H28O6 | 376.18859 | -0.290 | Rabdosin A | KNApSAcK: C00037716 |
| C21H28O6 | 376.18859 | -0.290 | Macrocalyxin B | KNApSAcK: C00051398 |
| C22H29O2SF | 376.18723 | 3.323 | 2-(5-Fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl)sulfanylbenzoic acid | HMDB: HMDB0257968 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 377.19547 |
| Splash: splash10-004i-0090000000-5a938928f2cfb144f2fe |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 229.08 | 112778 | 148 | 1000 |
| 201.06 | 43204 | 176 | 383 |
| 211.11 | 20477 | 166 | 181 |
| 183.05 | 19457 | 194 | 172 |
| 247.06 | 12847 | 130 | 113 |
| 288.89 | 8322 | 88 | 73 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Pterocarpan]-A(1OH, 2OMe)-B(1OH, 2OMe) | Pterocarpan | 2,8-Dihydroxy-3,4,9,10-tetramethoxypterocarpan |
| 0.100 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 3,5,7,4'-Tetrahydroxy-6,3',5'-trimethoxyflavone |
| 0.100 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 3,5,7,3'-Tetrahydroxy-6,4',5'-trimethoxyflavone |
| 0.100 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Hibiscetin 8,3',5'-trimethyl ether |
| 0.048 | [Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | Limocitrol |
| 0.048 | [Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 3,5,7,3'-Tetrahydroxy-6,8,4'-trimethoxyflavone |
| 0.048 | [Flavonol]-A(1OH, 3OMe)-B(2OH) | Flavonol | 3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone |
| 0.000 | [Flavanone]-A(1OH, 2(C-Prenyl))-B(none) | Flavanone | Ovaliflavanone A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 2(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Spinochalcone A |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',6'-Tetrahydroxy-6,8,2'-trimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone |
| 0.000 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavanone | 5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1(2-hydroxybenzyl))-B(none) | Flavanone | 5-O-Methylchamanetin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Benzoyl)) | Dihydroflavonol | Pinobanksin 3-O-benzoate |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl)) | Dihydroflavonol | 3,5,7,3',4'-Pentahydroxy-6-methoxyflavanone 3-O-acetate |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Dihydroflavonol | Plumbaginol |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 2OMe) | Flavonol | 5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Apuleisin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,4',5'-Tetrahydroxy-3,6,2'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 3,7,4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 3,8,4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH) | Flavonol | 5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH) | Flavonol | 5,6,3',4'-Tetrahydroxy-3,7,8-trimethoxyflavone |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 2OMe)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Abruquinone C |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Dehydrorotenone | Dehydromillettone |
| Level: 3, プリカーサーm/z: 229.07825 |
| Splash: splash10-03e9-0890000000-e1ac5a22063fc9b5a00c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 211.06 | 15423 | 18 | 1000 |
| 183.04 | 10749 | 46 | 696 |
| 201.04 | 5995 | 28 | 388 |
| 185.05 | 3008 | 44 | 195 |
| 143.02 | 1989 | 86 | 128 |
| 187.08 | 1380 | 42 | 89 |
| 172.99 | 1230 | 56 | 79 |
| 157.05 | 1206 | 72 | 78 |
FlavonoidSearch結果
ヒットなし
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 |
|---|