ピーク情報
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ミヤコグサ
pos
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| Peak #6810 MN MID: SE205_S07_M90 |
| m/z: 353.10185, RT: 83.35, 強度: 26923, ログ強度: 0.93, 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: (47 names) Salviandulin E;Sophoraisoflavone A;Allolicoisoflavone B;Lespecyrtin G1;Subelliptenone C;Rubiginone D2;Licoisoflavone B;Detetrahydroconidendrin;Citrusinol;Psoralidin oxide;Parvisoflavone B;Candidusin A... |
| DBごとのヒット数: ALL 41 KG 1 KN 39 HM 1 |
| FlavonoidSearch最大スコア MS2: 0.125, MS3: 0.333 |
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 |
|---|---|---|---|---|
| C20H16O6 | 352.09469 | -0.319 | Salviandulin E | KNApSAcK: C00031277 |
| C20H16O6 | 352.09469 | -0.319 | Sophoraisoflavone A | FlavonoidViewer: FLIAALNP0012 KNApSAcK: C00009874 LipidMAPS: LMPK12050319 |
| C20H16O6 | 352.09469 | -0.319 | Lespecyrtin G1 | KNApSAcK: C00047282 |
| C20H16O6 | 352.09469 | -0.319 | Rubiginone D2 | KNApSAcK: C00015511 LipidMAPS: LMPK08000002 |
| C20H16O6 | 352.09469 | -0.319 | Subelliptenone C | KNApSAcK: C00037858 |
| C20H16O6 | 352.09469 | -0.319 | Licoisoflavone B | FlavonoidViewer: FLIAALNP0002 KNApSAcK: C00009497 LipidMAPS: LMPK12050309 |
| C20H16O6 | 352.09469 | -0.319 | Detetrahydroconidendrin | KNApSAcK: C00030122 |
| C20H16O6 | 352.09469 | -0.319 | Citrusinol | FlavonoidViewer: FL5FAANP0002 HMDB: HMDB0037424 KNApSAcK: C00005077 LipidMAPS: LMPK12111994 |
| C20H16O6 | 352.09469 | -0.319 | Psoralidin oxide | FlavonoidViewer: FLIE1ANI0002 KNApSAcK: C00009776 LipidMAPS: LMPK12090008 |
| C20H16O6 | 352.09469 | -0.319 | Parvisoflavone B | FlavonoidViewer: FLIAALNP0003 KNApSAcK: C00009498 LipidMAPS: LMPK12050310 |
| C20H16O6 | 352.09469 | -0.319 | Candidusin A | KNApSAcK: C00023722 |
| C20H16O6 | 352.09469 | -0.319 | 3,5,6-Trimethoxyfurano[2,3:7,8]flavone | FlavonoidViewer: FL5FE9NF0001 KNApSAcK: C00005091 LipidMAPS: LMPK12112800 |
| C20H16O6 | 352.09469 | -0.319 | Parvisoflavone A | FlavonoidViewer: FLIAALNP0004 HMDB: HMDB0034019 KNApSAcK: C00009499 LipidMAPS: LMPK12050311 |
| C20H16O6 | 352.09469 | -0.319 | Bavacoumestan A | FlavonoidViewer: FLIE1ANP0006 KNApSAcK: C00010053 LipidMAPS: LMPK12090017 |
| C20H16O6 | 352.09469 | -0.319 | Negundin A | KNApSAcK: C00032060 |
| C20H16O6 | 352.09469 | -0.319 | Yinyanghuo E | FlavonoidViewer: FL3FACNP0002 KNApSAcK: C00013436 LipidMAPS: LMPK12110731 |
| C20H16O6 | 352.09469 | -0.319 | Artochamin C | KNApSAcK: C00043286 |
| C20H16O6 | 352.09469 | -0.319 | 3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one | HMDB: HMDB0038904 |
| C20H16O6 | 352.09469 | -0.319 | Erysubin A | KNApSAcK: C00019707 |
| C20H16O6 | 352.09469 | -0.319 | Lupinisoflavone A | FlavonoidViewer: FLIAALNF0002 HMDB: HMDB0038127 KNApSAcK: C00009837 LipidMAPS: LMPK12050278 |
| C20H16O6 | 352.09469 | -0.319 | Picropolygamain | KNApSAcK: C00031027 |
| C20H16O6 | 352.09469 | -0.319 | Elliptone | FlavonoidViewer: FLIF1LNF0003 KNApSAcK: C00009569 LipidMAPS: LMPK12060009 |
| C20H16O6 | 352.09469 | -0.319 | 3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone | FlavonoidViewer: FL5FAANP0001 KNApSAcK: C00005076 LipidMAPS: LMPK12111993 |
| C20H16O6 | 352.09469 | -0.319 | Penangianaxanthone | KNApSAcK: C00056072 |
| C20H16O6 | 352.09469 | -0.319 | Pongapinnol B | KNApSAcK: C00019194 |
| C20H16O6 | 352.09469 | -0.319 | 6-(2,4,5-Trimethoxyphenyl)-7H-furo[3,2-g][1]benzopyran-7-one | KNApSAcK: C00019422 |
| C20H16O6 | 352.09469 | -0.319 | Crotarin | FlavonoidViewer: FLIAALNF0004 KNApSAcK: C00009875 LipidMAPS: LMPK12050280 |
| C20H16O6 | 352.09469 | -0.319 | Anagyroidisoflavone B | KNApSAcK: C00019518 |
| C20H16O6 | 352.09469 | -0.319 | Erosone | FlavonoidViewer: FLIF1LNF0004 KNApSAcK: C00009570 LipidMAPS: LMPK12060010 |
| C20H16O6 | 352.09469 | -0.319 | Lupinalbin B | FlavonoidViewer: FLIG1LNI0003 KNApSAcK: C00010066 LipidMAPS: LMPK12160005 |
| C20H16O6 | 352.09469 | -0.319 | Erysubin B | KNApSAcK: C00019254, C00019708 |
| C20H16O6 | 352.09469 | -0.319 | Viridin | HMDB: HMDB0259837 KNApSAcK: C00023669 |
| C20H16O6 | 352.09469 | -0.319 | Musaxanthone | KNApSAcK: C00055994 |
| C20H16O6 | 352.09469 | -0.319 | Lupinalbin D | FlavonoidViewer: FLIG1LNI0002 KNApSAcK: C00010064 LipidMAPS: LMPK12160004 |
| C20H16O6 | 352.09469 | -0.319 | Savinin | KEGG: C10880 KNApSAcK: C00002624, C00040740, C00050316 |
| C20H16O6 | 352.09469 | -0.319 | Semilicoisoflavone B | FlavonoidViewer: FLIAACNP0005 HMDB: HMDB0035184 KNApSAcK: C00009880 LipidMAPS: LMPK12050248 |
| C20H16O6 | 352.09469 | -0.319 | Bavacoumestan B | FlavonoidViewer: FLIE1ANF0001 KNApSAcK: C00010054 LipidMAPS: LMPK12090006 |
| C20H16O6 | 352.09469 | -0.319 | Cycloartocarpesin | FlavonoidViewer: FL3FALNP0004 HMDB: HMDB0037425 KNApSAcK: C00004053 LipidMAPS: LMPK12110915 |
| C20H16O6 | 352.09469 | -0.319 | Altertoxin I | KNApSAcK: C00038417 |
| C20H16O6 | 352.09469 | -0.319 | Subelliptenone D | KNApSAcK: C00053802 |
| C20H16O6 | 352.09469 | -0.319 | Cyclocommunol | FlavonoidViewer: FL3FALNR0007 HMDB: HMDB0040304 KNApSAcK: C00004102 LipidMAPS: LMPK12110937 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 353.10178 |
| Splash: splash10-0002-0090000000-512c07a8c713856e4415 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 297.03 | 178744 | 56 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.125 | [Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavone | Artonin U |
| 0.095 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Isoflavone | Gancaonin G |
| 0.095 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Isoflavone | 5-O-Methyllupiwighteone |
| 0.095 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe) | Isoflavone | Gancaonin A |
| 0.095 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe) | Isoflavone | Gancanin M |
| 0.083 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavone | Cycloartocarpesin |
| 0.083 | [Flavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Yinyanghuo E |
| 0.077 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Semilicoisoflavone B |
| 0.077 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Licoisoflavone B |
| 0.077 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Sophoraisoflavone A |
| 0.077 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | 5,3',4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavone |
| 0.077 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Parvisoflavone A |
| 0.077 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Parvisoflavone B |
| 0.071 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Ovalichalcone |
| 0.071 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe) | 2'-Hydroxychalcone | 4'-O-Methylbavachalcone |
| 0.067 | [Flavanone]-A(2OMe, 1(C-Prenyl))-B(none) | Flavanone | Candidone |
| 0.053 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | 3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone |
| 0.053 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | Citrusinol |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | 5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Xanthohumol C |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Citrunobin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | 2'-Hydroxychalcone | Pongachalcone II |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan | Edulenanol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | 2'-Hydroxychalcone | Tephrosone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(4,5-Epoxy-6,6-dimethyl-4,5-dihydropyrano)))-B(none) | 2'-Hydroxychalcone | Epoxyobovatachalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | Demethylpraecanson B |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1(C-Prenyl))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | Pongagallone A |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Flavanone | Ovaliflavanone C |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH)-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cyclocommunol |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavonol | 3,5,6-Trimethoxyfurano[2,3:7,8]flavone |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flavan 4-ol | Methylhildgardtol A |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 4-ol | Methylhildgardtol B |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 4-ol | Xuulanin |
| 0.000 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | Isoflavone | Crotarin |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Isoflavone | Lupinisoflavone A |
| 0.000 | [Isoflavan]-A(1([@@]-Methylenedioxy))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Leiocin |
| 0.000 | [isoflavene]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | isoflavene | Neorauflavene |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Edunol |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautane |
| 0.000 | [Coumestan]-A(1OH, 1(3-Methyl-2,3-epoxybutyl))-B(1OH) | Coumestan | Psoralidin oxide |
| 0.000 | [Coumestan]-A(1OH)-B(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Coumestan | Bavacoumestan B |
| 0.000 | [Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Coumestan | Bavacoumestan A |
| 0.000 | [Rotenone]-A(1([2,3:@@]-Furano))-B(2OMe) | Rotenone | Elliptone |
| 0.000 | [Rotenone]-A(1([2,3:@@]-Furano))-B(2OMe) | Rotenone | Erosone |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | 12a-Hydroxydolineone |
| 0.000 | [Coumaranochromon]-A(2OH)-B(1OH, 1(C-Prenyl)) | Coumaranochromon | Lupinalbin D |
| 0.000 | [Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(1OH) | Coumaranochromon | Lupinalbin B |
| Level: 3, プリカーサーm/z: 297.02527 |
| Splash: splash10-0002-0090000000-b8b877d619510239f840 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 297.14 | 10809 | -0 | 1000 |
| 269.07 | 4476 | 28 | 414 |
| 240.97 | 2421 | 56 | 223 |
| 213.03 | 1065 | 84 | 98 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.333 | [Coumestan]-A(1OMe)-B(1OMe) | Coumestan | Coumestrol dimethyl ether |
| 0.000 | [Flavone]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Flavone | Milleyanaflavone |
| 0.000 | [Flavone]-A(2OMe, 1Methyl)-B(none) | Flavone | 5,7-Dimethoxy-6-C-methylflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(none) | Flavone | Desmosflavone |
| 0.000 | [Flavone]-A(2OH, 1Formyl, 1Methyl)-B(none) | Flavone | Unonal |
| 0.000 | [Flavone]-A(2OH, 1Formyl, 1Methyl)-B(none) | Flavone | Isounonal |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(none) | Flavone | 5-Methoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(none) | Flavone | 5-Methoxy-7,8-methylenedioxyflavone |
| 0.000 | [UBR-type derivative / 7-Oxocyclohexa-4a,5-dienyl-type Flavone]-A(1OH, 3Methyl)-B(none) | UBR-type derivative / 7-Oxocyclohexa-4a,5-dienyl-type Flavone | Dasytrichone |
| 0.000 | [Isoflavone]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Pseudobaptigenin methyl ether |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(1OMe) | Isoflavone | Maximaisoflavone H |
| 0.000 | [Pterocarpene]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpene | Anhydropisatin |
| 0.000 | [Coumestan]-A(1OH)-B(1([@@]-Methylenedioxy)) | Coumestan | Medicagol |