ピーク情報
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ささげ 全粒 乾
pos
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| Peak #3398 MN MID: SE122_S040171_M90 |
| m/z: 367.21153, RT: 46.12, 強度: 8179, ログ強度: 0.44, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 8 |
| 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: 0.080, 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 | 0.040 | Sporotrichiol | HMDB: HMDB0037062 KNApSAcK: C00012650 |
| C20H30O6 | 366.20424 | 0.040 | Hymenoratin B | KNApSAcK: C00021030 |
| C20H30O6 | 366.20424 | 0.040 | Cornutin C | KNApSAcK: C00036097 |
| C20H30O6 | 366.20424 | 0.040 | Pachyclavulariolide R | KNApSAcK: C00044994 |
| C20H30O6 | 366.20424 | 0.040 | Zambesiacolactone B | KNApSAcK: C00034921 |
| C20H30O6 | 366.20424 | 0.040 | Bis(2-butoxyethyl)phthalate | KEGG: C15438 |
| C20H30O6 | 366.20424 | 0.040 | Ingol | KNApSAcK: C00050840 LipidMAPS: LMPR0104310002 |
| C20H30O6 | 366.20424 | 0.040 | 12-oxo-10,11-dihydro-20-COOH-LTB4 | HMDB: HMDB0012549 LipidMAPS: LMFA03020046 |
| C20H30O6 | 366.20424 | 0.040 | Spirocardin A | KNApSAcK: C00017551 |
| C20H30O6 | 366.20424 | 0.040 | Coetsanoic acid | KNApSAcK: C00042404 |
| C20H30O6 | 366.20424 | 0.040 | 5S,12R,18S,20-tetrahydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid | LipidMAPS: LMFA03140008 |
| C20H30O6 | 366.20424 | 0.040 | Leopersin H | KNApSAcK: C00050375 |
| C20H30O6 | 366.20424 | 0.040 | Maoecrystal K | KNApSAcK: C00051470 |
| C20H30O6 | 366.20424 | 0.040 | Sculponin K | KNApSAcK: C00048113 |
| C20H30O6 | 366.20424 | 0.040 | 9,10-seco-9-carboxy-11,11,15S-trihydroxy-5Z,8(12),13E-prostatrienoic acid 9,11-lactone | LipidMAPS: LMFA03100037 |
| C20H30O6 | 366.20424 | 0.040 | 9S,15S-dihydroxy-11-oxo-thromboxa-5Z,13E,17Z-trienoic acid | LipidMAPS: LMFA03030009 |
| C20H30O6 | 366.20424 | 0.040 | Sinularolide A | KNApSAcK: C00043001 |
| C20H30O6 | 366.20424 | 0.040 | Leucasdin B | KNApSAcK: C00030653 |
| C20H30O6 | 366.20424 | 0.040 | Gibberellin A42 | KNApSAcK: C00000042 |
| C20H30O6 | 366.20424 | 0.040 | 12-oxo-20-dihydroxy-leukotriene B4 | HMDB: HMDB0012551 LipidMAPS: LMFA03020048 |
| C20H30O6 | 366.20424 | 0.040 | Taxicin I | KNApSAcK: C00056162 |
| C20H30O6 | 366.20424 | 0.040 | Enmenol | KNApSAcK: C00031761 |
| C20H30O6 | 366.20424 | 0.040 | Rhodomollein XX | KNApSAcK: C00042918 |
| C20H30O6 | 366.20424 | 0.040 | Phlebiakauranol aldehyde | KNApSAcK: C00017856 |
| C20H30O6 | 366.20424 | 0.040 | Pachyclavulariaenone G | KNApSAcK: C00046266 |
| C20H30O6 | 366.20424 | 0.040 | Anhydrocinnzeylanine | HMDB: HMDB0036863 KNApSAcK: C00036727 |
| C20H30O6 | 366.20424 | 0.040 | Nervosanin B | KNApSAcK: C00048018 |
| C20H30O6 | 366.20424 | 0.040 | Zinangustolide | KNApSAcK: C00012399 |
| C20H30O6 | 366.20424 | 0.040 | 5S,12R,18S,19-tetrahydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid | LipidMAPS: LMFA03140005 |
| C20H30O6 | 366.20424 | 0.040 | Ineupatorolide A | KNApSAcK: C00012341 |
| C20H30O6 | 366.20424 | 0.040 | Sinulariolone | KNApSAcK: C00040317 |
| C20H30O6 | 366.20424 | 0.040 | 7-Oxoprostaglandin I2 | HMDB: HMDB0247284 |
| C20H30O6 | 366.20424 | 0.040 | Diaporthein A | KNApSAcK: C00041496 |
| C20H30O6 | 366.20424 | 0.040 | Gibberellin A83 | KNApSAcK: C00000083 |
| C20H30O6 | 366.20424 | 0.040 | LipidMAPS: LMPR01040141 |
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| C20H30O6 | 366.20424 | 0.040 | Chaparrolide | KEGG: C08758 KNApSAcK: C00003708 |
| C20H30O6 | 366.20424 | 0.040 | Sibiricinone A | KNApSAcK: C00043917 |
| C20H30O6 | 366.20424 | 0.040 | 20-COOH-Leukotriene B4 | HMDB: HMDB0006059, HMDB0245560 KEGG: C05950 LipidMAPS: LMFA03020016 |
| C21H26O2N4 | 366.20558 | -3.612 | N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide | HMDB: HMDB0259641 |
| C21H26O2N4 | 366.20558 | -3.612 | Linaprazan | HMDB: HMDB0254096 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 367.21155 |
| Splash: splash10-000t-0019000000-02589814179de70538f8 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 349.25 | 1800 | 18 | 1000 |
| 331.14 | 1479 | 36 | 822 |
| 313.20 | 845 | 54 | 469 |
| 285.19 | 565 | 82 | 313 |
| 303.20 | 519 | 64 | 288 |
| 321.17 | 415 | 46 | 230 |
| 267.18 | 175 | 100 | 97 |
| 295.23 | 152 | 72 | 84 |
| 257.24 | 132 | 110 | 73 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.080 | [Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Barpisoflavone C |
| 0.080 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Isoflavone | 3'-Hydroxyalpinumisoflavone 4'-methyl ether |
| 0.056 | [Coumestan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Coumestan | Mirificoumestan |
| 0.056 | [Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl)) | Coumestan | Puerarostan |
| 0.056 | [Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl)) | Coumestan | 3,9-Dihydroxy-1-methoxy-8-prenylcoumestan |
| 0.056 | [Coumestan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Coumestan | Glycyrol |
| 0.056 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 2'-Hydroxychalcone | Glychalcone A |
| 0.056 | [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 |
| 0.056 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | 3,4-Dimethoxylonchocarpin |
| 0.053 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Ponganone III |
| 0.053 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | Glyflavanone A |
| 0.043 | [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 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Pterocarpan | Edulenane |
| 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 |