ピーク情報
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ミヤコグサ
pos
|
| Peak #2221 MN MID: SE205_S07_M90 |
| m/z: 405.02283, RT: 34.29, 強度: 5039, ログ強度: 0.21, 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: Sulfoxone |
| DBごとのヒット数: ALL 1 HM 1 |
| FlavonoidSearch最大スコア MS2: -, 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 |
|---|---|---|---|---|
| C14H16O6N2S3 | 404.01705 | -3.694 | Sulfoxone | HMDB: HMDB0015276 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 405.02203 |
| Splash: splash10-001i-0039000000-980c5d60ed339717b947 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 332.90 | 15754 | 72 | 1000 |
| 229.98 | 4181 | 175 | 265 |
| 320.07 | 3753 | 85 | 238 |
| 260.96 | 2218 | 144 | 140 |
| 302.07 | 1630 | 103 | 103 |
| 248.00 | 1490 | 157 | 94 |
| 270.89 | 853 | 134 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Glyinflanin G |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Euchrenone a1 |
| 0.000 | [Dihydroflavonol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Dihydroflavonol | MS II |
| 0.000 | [Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Chalcone | Laxichalcone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OH, 3OMe) | Flavone | Psiadiarabicin |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavone | Gardenin C |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavone | 5,4'-Dihydroxy-6,7,8,3',5'-pentamethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavone | Agehoustin F |
| 0.000 | [Flavanone]-A(3OMe)-B(3OMe) | Flavanone | 5,6,7,3',4',5'-Hexamethoxyflavanone |
| 0.000 | [Flavonol]-A(1OH, 3OMe)-B(2OMe) | Flavonol | 3,5-Dihydroxy-6,7,8,3',4'-pentamethoxyflavone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6-Methyl-6-(4-Hydroxy-4-methyl-2-pentenyl)pyrano)))-B(none) | 2'-Hydroxychalcone | Boesenbergin A |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6-Methyl-6-(4-Hydroxy-4-methyl-2-pentenyl)pyrano)))-B(none) | 2'-Hydroxychalcone | Boesenbergin B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 3OMe) | 2'-Hydroxychalcone | 2,2'-Dihydroxy-3,4,5,6'-tetramethoxy-3',4'-methylenedioxychalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin D |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(none) | Dihydrochalcone | Calomelanol C |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH) | Dihydrochalcone | Calomelanol B |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavone | Fulvinervin C |
| 0.000 | [Flavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavone | Laxifolin |
| 0.000 | [Flavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavone | Isolaxifolin |
| 0.000 | [Flavonol]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavonol | Sericetin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | Apuleirin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | Murrayanol |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 5,3'-Dihydroxy-3,6,7,4',5'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(2OH, 1OMe) | Flavonol | Apulein |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 6,5'-Dihydroxy-3,5,7,2',4'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 6,2'-Dihydroxy-3,5,7,4',5'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 5,5'-Dihidroxy-3,6,7,2',4'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | Brickellin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OMe) | Flavonol | Distemonatin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OMe) | Flavonol | Conyzatin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OMe) | Flavonol | 5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 5,4'-Dihydroxy-3,6,7,8,3'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OMe) | Flavonol | 5,7-Dihydroxy-3,6,8,3',4'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 5,4'-Dihydroxy-3,6,7,8,2'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 5,2'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone |
| 0.000 | [4-substituted Flavan (4-(4-Hydroxystyryl))]-A(2OMe)-B(1OH) | 4-substituted Flavan | 4'-Hydroxy-4-(4-hydroxystyryl)-5,7-dimethoxyflavan |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Osajin |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | Isoflavone | Chandalone |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Warangalone |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Isochandalone |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexone A |
| 0.000 | [Coumestan]-A(1OH, 1Geranyl)-B(1OH) | Coumestan | Puerarol |
| 0.000 | [4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-hydroxydihydropyrano)))-B(none) | 4-phenylcoumarin | Inophyllolide chromanol |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | 4-phenylcoumarin | 5-Hydroxy-10-prenyl-7,8-dihydro-7,8-trans-dimethyl-4-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Isovaleryl)-B(none) | 4-phenylcoumarin | Mammeigin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-Methylbutyroyl))-B(none) | 4-phenylcoumarin | 5-Hydroxy-6'',6''-dimethyl-6-(2-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin |
| Level: 3, プリカーサーm/z: 332.89502 |
| Splash: splash10-03di-0090000000-e4640e533f530902340e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 260.92 | 7685 | 72 | 1000 |
| 229.91 | 2818 | 103 | 366 |
| 247.94 | 410 | 85 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(3OH) | Flavone | 3',4',5'-Trihydroxywogonin |
| 0.000 | [Flavone]-A(3OH, 1OMe)-B(2OH) | Flavone | 5,7,8,3',4'-Pentahydroxy-6-methoxyflavone |
| 0.000 | [Flavone]-A(3OH, 1OMe)-B(2OH) | Flavone | 5,6,7,3',4'-Pentahydroxy-8-methoxyflavone |
| 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 | [Flavanone]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavanone | Dihydrotricetin 7,3'-dimethyl ether |
| 0.000 | [Flavanone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 2OMe)-B(2OH) | Flavanone | Dioclein |
| 0.000 | [Flavanone]-A(1OH, 2OMe)-B(2OH) | Flavanone | 5,2',5'-Trihydroxy-7,8-dimethoxyflavanone |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 2OMe) | Flavanone | 7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 2OMe) | Flavanone | 5,7,4'-Trihydroxy-3',5'-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 | [Flavonol]-A(1OH, 1OMe)-B(3OH) | Flavonol | Myricetin 5-methyl ether |
| 0.000 | [Flavonol]-A(1OH, 1OMe)-B(3OH) | Flavonol | Europetin |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Allopatuletin |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Patuletin |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Quercetagetin 7-methyl ether |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Ranupetin |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Corniculatusin |
| 0.000 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3'-methyl ether |
| 0.000 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 4'-methyl ether |
| 0.000 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Haplogenin |
| 0.000 | [Flavonol]-A(2OH)-B(2OH, 1OMe) | Flavonol | Laricitrin |
| 0.000 | [Flavonol]-A(2OH)-B(2OH, 1OMe) | Flavonol | Mearnsetin |
| 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 |
| Level: 3, プリカーサーm/z: 229.98022 |
| Splash: splash10-029i-0900000000-36ad320984de90105b64 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 185.93 | 620 | 44 | 1000 |
| 113.89 | 536 | 116 | 864 |
| 169.01 | 272 | 61 | 439 |
| 168.21 | 221 | 62 | 357 |
| 211.76 | 211 | 18 | 340 |
| 175.88 | 193 | 54 | 311 |
| 185.10 | 143 | 45 | 230 |
| 123.90 | 97 | 106 | 157 |
| 157.89 | 76 | 72 | 122 |
| 97.85 | 51 | 132 | 82 |
| 100.83 | 50 | 129 | 79 |
| 139.97 | 45 | 90 | 72 |
| 144.96 | 31 | 85 | 50 |
FlavonoidSearch結果
ヒットなし