ピーク情報
|
（くり類） 日本ぐり 生
pos
|
| Peak #2514 MN MID: SE123_S050101_M90 |
| m/z: 349.20089, RT: 39.81, 強度: 1977, ログ強度: -0.12, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (53 names) Sporotrichiol;Hymenoratin B;Cornutin C;(-)-Cornutin C;Pachyclavulariolide R;(-)-Pachyclavulariolide R;Zambesiacolactone B;(+)-Zambesiacolactone B;Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate... |
| DBごとのヒット数: ALL 40 KG 3 KN 27 HM 3 LM 7 |
| FlavonoidSearch最大スコア MS2: 0.182, 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 |
|---|---|---|---|---|
| C20H30O6 | 366.20424 | -0.173 | Sporotrichiol | HMDB: HMDB0037062 KNApSAcK: C00012650 |
| C20H30O6 | 366.20424 | -0.173 | Hymenoratin B | KNApSAcK: C00021030 |
| C20H30O6 | 366.20424 | -0.173 | Cornutin C | KNApSAcK: C00036097 |
| C20H30O6 | 366.20424 | -0.173 | Pachyclavulariolide R | KNApSAcK: C00044994 |
| C20H30O6 | 366.20424 | -0.173 | Zambesiacolactone B | KNApSAcK: C00034921 |
| C20H30O6 | 366.20424 | -0.173 | Bis(2-butoxyethyl)phthalate | KEGG: C15438 |
| C20H30O6 | 366.20424 | -0.173 | Ingol | KNApSAcK: C00050840 LipidMAPS: LMPR0104310002 |
| C20H30O6 | 366.20424 | -0.173 | 12-oxo-10,11-dihydro-20-COOH-LTB4 | HMDB: HMDB0012549 LipidMAPS: LMFA03020046 |
| C20H30O6 | 366.20424 | -0.173 | Spirocardin A | KNApSAcK: C00017551 |
| C20H30O6 | 366.20424 | -0.173 | Coetsanoic acid | KNApSAcK: C00042404 |
| C20H30O6 | 366.20424 | -0.173 | 5S,12R,18S,20-tetrahydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid | LipidMAPS: LMFA03140008 |
| C20H30O6 | 366.20424 | -0.173 | Leopersin H | KNApSAcK: C00050375 |
| C20H30O6 | 366.20424 | -0.173 | Maoecrystal K | KNApSAcK: C00051470 |
| C20H30O6 | 366.20424 | -0.173 | Sculponin K | KNApSAcK: C00048113 |
| C20H30O6 | 366.20424 | -0.173 | 9,10-seco-9-carboxy-11,11,15S-trihydroxy-5Z,8(12),13E-prostatrienoic acid 9,11-lactone | LipidMAPS: LMFA03100037 |
| C20H30O6 | 366.20424 | -0.173 | 9S,15S-dihydroxy-11-oxo-thromboxa-5Z,13E,17Z-trienoic acid | LipidMAPS: LMFA03030009 |
| C20H30O6 | 366.20424 | -0.173 | Sinularolide A | KNApSAcK: C00043001 |
| C20H30O6 | 366.20424 | -0.173 | Leucasdin B | KNApSAcK: C00030653 |
| C20H30O6 | 366.20424 | -0.173 | Gibberellin A42 | KNApSAcK: C00000042 |
| C20H30O6 | 366.20424 | -0.173 | 12-oxo-20-dihydroxy-leukotriene B4 | HMDB: HMDB0012551 LipidMAPS: LMFA03020048 |
| C20H30O6 | 366.20424 | -0.173 | Taxicin I | KNApSAcK: C00056162 |
| C20H30O6 | 366.20424 | -0.173 | Enmenol | KNApSAcK: C00031761 |
| C20H30O6 | 366.20424 | -0.173 | Rhodomollein XX | KNApSAcK: C00042918 |
| C20H30O6 | 366.20424 | -0.173 | Phlebiakauranol aldehyde | KNApSAcK: C00017856 |
| C20H30O6 | 366.20424 | -0.173 | Pachyclavulariaenone G | KNApSAcK: C00046266 |
| C20H30O6 | 366.20424 | -0.173 | Anhydrocinnzeylanine | HMDB: HMDB0036863 KNApSAcK: C00036727 |
| C20H30O6 | 366.20424 | -0.173 | Nervosanin B | KNApSAcK: C00048018 |
| C20H30O6 | 366.20424 | -0.173 | Zinangustolide | KNApSAcK: C00012399 |
| C20H30O6 | 366.20424 | -0.173 | 5S,12R,18S,19-tetrahydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid | LipidMAPS: LMFA03140005 |
| C20H30O6 | 366.20424 | -0.173 | Ineupatorolide A | KNApSAcK: C00012341 |
| C20H30O6 | 366.20424 | -0.173 | Sinulariolone | KNApSAcK: C00040317 |
| C20H30O6 | 366.20424 | -0.173 | 7-Oxoprostaglandin I2 | HMDB: HMDB0247284 |
| C20H30O6 | 366.20424 | -0.173 | Diaporthein A | KNApSAcK: C00041496 |
| C20H30O6 | 366.20424 | -0.173 | Gibberellin A83 | KNApSAcK: C00000083 |
| C20H30O6 | 366.20424 | -0.173 | LipidMAPS: LMPR01040141 |
|
| C20H30O6 | 366.20424 | -0.173 | Chaparrolide | KEGG: C08758 KNApSAcK: C00003708 |
| C20H30O6 | 366.20424 | -0.173 | Sibiricinone A | KNApSAcK: C00043917 |
| C20H30O6 | 366.20424 | -0.173 | 20-COOH-Leukotriene B4 | HMDB: HMDB0006059, HMDB0245560 KEGG: C05950 LipidMAPS: LMFA03020016 |
| C21H26O2N4 | 366.20558 | -3.825 | N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide | HMDB: HMDB0259641 |
| C21H26O2N4 | 366.20558 | -3.825 | Linaprazan | HMDB: HMDB0254096 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 349.20087 |
| Splash: splash10-001i-0029000000-8a145e464909b6b5b6ec |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 331.15 | 8552 | 18 | 1000 |
| 303.23 | 2417 | 46 | 282 |
| 313.17 | 1951 | 36 | 228 |
| 285.21 | 1855 | 64 | 216 |
| 267.21 | 582 | 82 | 68 |
| 295.12 | 438 | 54 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.250 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone |
| 0.250 | [Dihydroflavonol]-A(1OH, 2OMe)-B(2OH) | Dihydroflavonol | Dihydrogossypetin 7,8-dimethyl ether |
| 0.182 | [Dihydroflavonol]-A(2OH)-B(1OH, 2OMe) | Dihydroflavonol | Dihydrosyringetin |
| 0.100 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavan 3-ol | Gallocatechin 7,3',5'-trimethyl ether |
| 0.053 | [Flavonol]-A(3OH)-B(2OH, 1OMe) | Flavonol | 3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone |
| 0.053 | [Flavonol]-A(2OH, 1OMe)-B(3OH) | Flavonol | Hibiscetin 8-methyl ether |
| 0.053 | [Flavonol]-A(4OH)-B(1OH, 1OMe) | Flavonol | 3,5,6,7,8,4'-Hexahydroxy-3'-methoxyflavone |
| 0.000 | [Coumestan]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Coumestan | Tuberostan |
| 0.000 | [Isoflavan]-A(2OH, 1OMe)-B(1OH, 2OMe) | Isoflavan | Machaerol C |
| 0.000 | [Flavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | 6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone |
| 0.000 | [Flavone]-A(2OMe, 1(3-Methylbutadienyl))-B(none) | Flavone | trans-Anhydrotephrostachin |
| 0.000 | [Dihydroflavonol]-A(2OH, 2Methyl)-B(3OH) | Dihydroflavonol | 3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone |
| 0.000 | [4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(2OH) | 4-substituted Flavan 3-ol | Dryopteric acid |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Calopogoniumisoflavone B |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH, 1(C-Prenyl)) | Pterocarpan | Erybraedin E |