ピーク情報
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ミヤコグサ
pos
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| Peak #3438 MN MID: SE205_S07_M90 |
| m/z: 333.06064, RT: 43.63, 強度: 12213, 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）: 2 |
| DB検索結果: (34 names) 3',4',5'-Trihydroxywogonin;Mearnsetin;Gossypetin 3-methyl ether;Quercetagetin 3-methyl ether;Corynesidone B;Haplogenin;Corniculatusin;Annulatin;5,7,8,3',4'-Pentahydroxy-6-methoxyflavone;Vaccaxanthone;... |
| DBごとのヒット数: ALL 33 KG 8 KN 24 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.250, 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 |
|---|---|---|---|---|
| C16H12O8 | 332.05322 | 0.428 | 3',4',5'-Trihydroxywogonin | FlavonoidViewer: FL3FFGNS0001 KNApSAcK: C00003957 LipidMAPS: LMPK12111411 |
| C16H12O8 | 332.05322 | 0.428 | Mearnsetin | FlavonoidViewer: FL5FAJNS0001 KNApSAcK: C00004762 LipidMAPS: LMPK12112506 |
| C16H12O8 | 332.05322 | 0.428 | Gossypetin 3-methyl ether | FlavonoidViewer: FL5FFCNS0002 KNApSAcK: C00004722 LipidMAPS: LMPK12113232 |
| C16H12O8 | 332.05322 | 0.428 | Haplogenin | FlavonoidViewer: FL5FFCNS0005 KNApSAcK: C00004725 LipidMAPS: LMPK12113235 |
| C16H12O8 | 332.05322 | 0.428 | Quercetagetin 3-methyl ether | FlavonoidViewer: FL5FECNS0003 KNApSAcK: C00004678 LipidMAPS: LMPK12112984 |
| C16H12O8 | 332.05322 | 0.428 | Corynesidone B | KNApSAcK: C00048363 |
| C16H12O8 | 332.05322 | 0.428 | Corniculatusin | FlavonoidViewer: FL5FFCNS0004 KEGG: C04527 KNApSAcK: C00004724 LipidMAPS: LMPK12113234 |
| C16H12O8 | 332.05322 | 0.428 | Annulatin | FlavonoidViewer: FL5FDGNS0001 KNApSAcK: C00004759 LipidMAPS: LMPK12112779 |
| C16H12O8 | 332.05322 | 0.428 | 5,7,8,3',4'-Pentahydroxy-6-methoxyflavone | FlavonoidViewer: FL3FGCNS0002 KNApSAcK: C00003925 LipidMAPS: LMPK12111469 |
| C16H12O8 | 332.05322 | 0.428 | Vaccaxanthone | KNApSAcK: C00037979 |
| C16H12O8 | 332.05322 | 0.428 | Europetin | FlavonoidViewer: FL5FCGNS0001 KNApSAcK: C00004761 LipidMAPS: LMPK12112664 |
| C16H12O8 | 332.05322 | 0.428 | Laricitrin | FlavonoidViewer: FL5FAHNS0001 HMDB: HMDB0126497 KEGG: C12633 KNApSAcK: C00004763 LipidMAPS: LMPK12112482 |
| C16H12O8 | 332.05322 | 0.428 | Quercetagetin 4'-methyl ether | FlavonoidViewer: FL5FECNS0008 KNApSAcK: C00004683 LipidMAPS: LMPK12112989 |
| C16H12O8 | 332.05322 | 0.428 | Wedelic acid | KNApSAcK: C00019207 |
| C16H12O8 | 332.05322 | 0.428 | Pinomyricetin | FlavonoidViewer: FL5FAGNM0001 KNApSAcK: C00004907 LipidMAPS: LMPK12112469 |
| C16H12O8 | 332.05322 | 0.428 | Annagenin | HMDB: HMDB0033648 KNApSAcK: C00055208 |
| C16H12O8 | 332.05322 | 0.428 | Patuletin | FlavonoidViewer: FL5FECNS0005 HMDB: HMDB0030802 KEGG: C10118 KNApSAcK: C00004680 LipidMAPS: LMPK12112986 |
| C16H12O8 | 332.05322 | 0.428 | Quercetagetin 3'-methyl ether | FlavonoidViewer: FL5FECNS0007 KNApSAcK: C00004682 LipidMAPS: LMPK12112988 |
| C16H12O8 | 332.05322 | 0.428 | Quercetagetin 7-methyl ether | FlavonoidViewer: FL5FECNS0006 KNApSAcK: C00004681 LipidMAPS: LMPK12112987 |
| C16H12O8 | 332.05322 | 0.428 | Ranupetin | FlavonoidViewer: FL5FFCNS0003 KNApSAcK: C00004723 LipidMAPS: LMPK12113233 |
| C16H12O8 | 332.05322 | 0.428 | Crombenin | FlavonoidViewer: FL1BUNNS0001 KNApSAcK: C00008076 LipidMAPS: LMPK12130077 |
| C16H12O8 | 332.05322 | 0.428 | Allopatuletin | FlavonoidViewer: FL5FECNS0004 KNApSAcK: C00004679 LipidMAPS: LMPK12112985 |
| C16H12O8 | 332.05322 | 0.428 | Myricetin 5-methyl ether | FlavonoidViewer: FL5FBGNS0001 KNApSAcK: C00004760 LipidMAPS: LMPK12112555 |
| C15H22OBrCl | 332.05425 | -2.695 | Rhodolaureol | KNApSAcK: C00021996 |
| C15H22OBrCl | 332.05425 | -2.695 | Laurencenone D | KNApSAcK: C00021602 |
| C15H22OBrCl | 332.05425 | -2.695 | Rhodolaureol | KEGG: C17184 KNApSAcK: C00021981 |
| C15H22OBrCl | 332.05425 | -2.695 | Elatol | KEGG: C17118 KNApSAcK: C00021598 |
| C15H22OBrCl | 332.05425 | -2.695 | Nidifidienol | KEGG: C17117 KNApSAcK: C00021597 |
| C15H22OBrCl | 332.05425 | -2.695 | Nidifocene | KNApSAcK: C00021604 |
| C15H22OBrCl | 332.05425 | -2.695 | Laurencenone A | KNApSAcK: C00021603 LipidMAPS: LMPR0103670002 |
| C10H13O7N4P | 332.05219 | 3.531 | 2'-Deoxyinosine 5'-phosphate | HMDB: HMDB0006555 KEGG: C06196 |
| C10H13O7N4P | 332.05219 | 3.531 | Purine mononucleotide | KEGG: C05325 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 333.06067 |
| Splash: splash10-014i-0009000000-38f2d98b9a91b6e13d85 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 318.04 | 107799 | 15 | 1000 |
| 319.06 | 9607 | 14 | 89 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.250 | [Flavone]-A(2OH, 1OMe)-B(3OH) | Flavone | 3',4',5'-Trihydroxywogonin |
| 0.250 | [Flavone]-A(3OH, 1OMe)-B(2OH) | Flavone | 5,7,8,3',4'-Pentahydroxy-6-methoxyflavone |
| 0.250 | [Flavone]-A(3OH, 1OMe)-B(2OH) | Flavone | 5,6,7,3',4'-Pentahydroxy-8-methoxyflavone |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavanone | Dihydrotricetin 7,3'-dimethyl ether |
| 0.083 | [Flavanone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone |
| 0.083 | [Flavanone]-A(1OH, 2OMe)-B(2OH) | Flavanone | Dioclein |
| 0.083 | [Flavanone]-A(1OH, 2OMe)-B(2OH) | Flavanone | 5,2',5'-Trihydroxy-7,8-dimethoxyflavanone |
| 0.083 | [Flavanone]-A(2OH)-B(1OH, 2OMe) | Flavanone | 7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone |
| 0.083 | [Flavanone]-A(2OH)-B(1OH, 2OMe) | Flavanone | 5,7,4'-Trihydroxy-3',5'-dimethoxyflavanone |
| 0.067 | [Flavonol]-A(1OH, 1OMe)-B(3OH) | Flavonol | Myricetin 5-methyl ether |
| 0.067 | [Flavonol]-A(1OH, 1OMe)-B(3OH) | Flavonol | Europetin |
| 0.067 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Allopatuletin |
| 0.067 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Patuletin |
| 0.067 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Quercetagetin 7-methyl ether |
| 0.067 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Ranupetin |
| 0.067 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Corniculatusin |
| 0.067 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3'-methyl ether |
| 0.067 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 4'-methyl ether |
| 0.067 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Haplogenin |
| 0.067 | [Flavonol]-A(2OH)-B(2OH, 1OMe) | Flavonol | Laricitrin |
| 0.067 | [Flavonol]-A(2OH)-B(2OH, 1OMe) | Flavonol | Mearnsetin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 7,3'-dimethyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 7,4'-dimethyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe) | Dihydroflavonol | 3,5,7-Trihydroxy-6,4'-dimethoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe) | Dihydroflavonol | 3,5,7-Trihydroxy-8,4'-dimethoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,3'-Trihydroxy-7,2'-dimethoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 2OMe)-B(1OH) | Dihydroflavonol | 3,5,4'-Trihydroxy-6,7-dimethoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 2OMe)-B(1OH) | Dihydroflavonol | 3,5,2'-Trihydroxy-7,8-dimethoxyflavanone |
| 0.000 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Isoflavan | Duartin |
| 0.000 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Isoflavan | Isoduartin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 3OMe) | Isoflavan | Lonchocarpan |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe) | Dihydrochalcone | 2',4'-Dihydroxy-3,4,6'-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe) | Dihydrochalcone | 2',6'-Dihydroxy-3,4,4'-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 3OMe)-B(none) | Dihydrochalcone | Dihydropedicin |
| 0.000 | [Dihydrochalcone]-A(2OH, 3OMe)-B(none) | Dihydrochalcone | 3',5'-Dihydroxy-2',4',6'-trimethoxydihydrochalcone |
| 0.000 | [Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,7,3'-trimethyl ether |
| 0.000 | [Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,7,4'-trimethyl ether |
| 0.000 | [Isoflavanone]-A(2OH)-B(1OH, 2OMe) | Isoflavanone | Parvisoflavanone |
| 0.000 | [CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone]-A(2OH)-B(2OH) | CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone | Crombenin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(3OH) | Flavonol | Annulatin |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(3OH) | Flavonol | Pinomyricetin |
| 0.000 | [Flavonol]-A(2OH)-B(3OH, 1Methyl) | Flavonol | 2'-C-Methylmyricetin |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(2OH) | Flavonol | Quercetagetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(2OH) | Flavonol | Gossypetin 3-methyl ether |
| 0.000 | [4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(none) | 4-substituted Flavan 3-ol | 3'-Deoxydryopteric acid |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OMe) | Flavan 4-ol | 4,5,7-Trihydroxy-4'-methoxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [Flavan 3,4-diol]-A(1OMe)-B(2OMe) | Flavan 3,4-diol | Fisetinidol-4beta-ol 7,3',4'-trimethyl ether |