ピーク情報
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ミヤコグサ
pos
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| Peak #4359 MN MID: SE205_S07_M90 |
| m/z: 547.14510, RT: 49.41, 強度: 8448, ログ強度: 0.43, 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: (13 names) Judaicin 7-O-(6''-O-malonylglucoside);7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflav-3-ene 7-O-(6''-malonylglucoside);Dehydrogaertneroside;(-)-Dehydrogaertneroside;Glycitein 7-O-(6''-succinylglucosi... |
| DBごとのヒット数: ALL 9 KN 7 HM 2 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.111 |
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 |
|---|---|---|---|---|
| C26H26O13 | 546.13734 | 0.889 | Judaicin 7-O-(6''-O-malonylglucoside) | KNApSAcK: C00019472 |
| C26H26O13 | 546.13734 | 0.889 | Dehydrogaertneroside | KNApSAcK: C00044697 |
| C26H26O13 | 546.13734 | 0.889 | Glycitein 7-O-(6''-succinylglucoside) | KNApSAcK: C00019758 |
| C26H26O13 | 546.13734 | 0.889 | Scutellarein 4'-methyl ether 7-(2'',6''-diacetylalloside) | FlavonoidViewer: FL3FEAGS0032 KNApSAcK: C00004490 LipidMAPS: LMPK12111136 |
| C26H26O13 | 546.13734 | 0.889 | Afrormosin 7-O-(6''-malonylglucoside) | FlavonoidViewer: FLIA2AGS0006 HMDB: HMDB0039083 KNApSAcK: C00010169 LipidMAPS: LMPK12050099 |
| C26H26O13 | 546.13734 | 0.889 | Quercetin 7-(6''-tiglylglucoside) | FlavonoidViewer: FL5FACGI0001 KNApSAcK: C00005969 LipidMAPS: LMPK12112085 |
| C26H26O13 | 546.13734 | 0.889 | Biochanin A 7-(6-methylmalonylglucoside) | HMDB: HMDB0030641 |
| C26H26O13 | 546.13734 | 0.889 | Isorhamnetin 3-[6''-(2-(E)-butenoyl)-glucoside] | FlavonoidViewer: FL5FADGL0036 KNApSAcK: C00006007 LipidMAPS: LMPK12110590 |
| C25H22O3N6ClF3 | 546.13940 | -2.884 | Telotristat | HMDB: HMDB0258794 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 547.14502 |
| Splash: splash10-0002-0095240000-c2fd86c7a84336b95e9e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 299.09 | 3054 | 248 | 1000 |
| 341.17 | 1276 | 206 | 417 |
| 297.05 | 1122 | 250 | 367 |
| 511.01 | 935 | 36 | 305 |
| 529.20 | 917 | 18 | 300 |
| 407.08 | 701 | 140 | 229 |
| 365.09 | 592 | 182 | 193 |
| 503.16 | 339 | 44 | 111 |
| 493.02 | 267 | 54 | 87 |
| 371.11 | 230 | 176 | 75 |
| 309.13 | 164 | 238 | 53 |
| 311.23 | 155 | 236 | 50 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 299.07416 |
| Splash: splash10-001i-0090000000-182266e7c75e790ab04b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 284.03 | 1009 | 15 | 1000 |
| 267.10 | 396 | 32 | 392 |
| 271.11 | 315 | 28 | 312 |
| 239.08 | 123 | 60 | 121 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.235 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | 8-O-Methylretusin |
| 0.200 | [Isoflavone]-A(1OH)-B(2OMe) | Isoflavone | Cladrin |
| 0.200 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe) | Isoflavone | Afrormosin |
| 0.200 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe) | Isoflavone | Alfalone |
| 0.200 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe) | Isoflavone | 5-O-Methylbiochanin A |
| 0.200 | [Isoflavone]-A(1OMe)-B(1OH, 1OMe) | Isoflavone | Sayanedine |
| 0.176 | [Flavonol]-A(2OMe)-B(none) | Flavonol | Galangin 5,7-dimethyl ether |
| 0.125 | [Flavone]-A(1OH)-B(2OMe) | Flavone | 7-Hydroxy-3',4'-dimethoxyflavone |
| 0.125 | [Flavone]-A(1OMe)-B(1OH, 1OMe) | Flavone | Tithonine |
| 0.125 | [Flavone]-A(1OH, 1OMe)-B(1OMe) | Flavone | 5-Hydroxy-6,2'-dimethoxyflavone |
| 0.125 | [Flavone]-A(1OH, 1OMe)-B(1OMe) | Flavone | 5-Hydroxy-7,2'-dimethoxyflavone |
| 0.125 | [Flavone]-A(1OH, 1OMe)-B(1OMe) | Flavone | Apigenin 5,4'-dimethyl ether |
| 0.125 | [Flavone]-A(2OMe)-B(1OH) | Flavone | Apigenin 5,7-dimethyl ether |
| 0.125 | [Flavone]-A(1OH, 1OMe)-B(1OMe) | Flavone | Apigenin 7,4'-dimethyl ether |
| 0.125 | [Flavone]-A(1OH, 2OMe)-B(none) | Flavone | Baicalein 5,6-dimethyl ether |
| 0.125 | [Flavone]-A(1OH, 2OMe)-B(none) | Flavone | Mosloflavone |
| 0.125 | [Flavone]-A(1OH, 2OMe)-B(none) | Flavone | Norwogonin 5,8-dimethyl ether |
| 0.125 | [Flavone]-A(1OH, 2OMe)-B(none) | Flavone | Moslosooflavone |
| 0.125 | [Coumestan]-A(1OH)-B(1OH, 1OMe) | Coumestan | 8-Methoxycoumestrol |
| 0.125 | [Coumestan]-A(1OH)-B(1OH, 1OMe) | Coumestan | Trifoliol |
| 0.125 | [Coumestan]-A(1OH, 1OMe)-B(1OH) | Coumestan | Sativol |
| 0.000 | [Chalcone]-A(1OH, 1OMe, 1Formyl)-B(1OH) | Chalcone | Isoneobavachalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1Formyl)-B(1OH) | 2'-Hydroxychalcone | Neobavachalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1Methyl)-B(none) | 2'-Hydroxychalcone | Aurentiacin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 2Methyl)-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone]-A(1OH, 1OMe, 2Methyl)-B(none) | UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone | Ceroptene |
| 0.000 | [UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone]-A(1Methoxycarbonylmethyl)-B(none) | UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone | Infectocaryone |
| 0.000 | [Flavanone]-A(1OMe, 1Methyl)-B(1OMe) | Flavanone | 7,4'-Dimethoxy-6-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OMe, 1Methyl)-B(none) | Flavanone | 5,7-Dimethoxy-6-C-methylflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 2Methyl)-B(none) | Flavanone | 5-Hydroxy-7-methoxy-6,8-di-C-methylflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 2Methyl)-B(none) | Flavanone | 6,8-Di-C-methylpinocembrin 5-methyl ether |
| 0.000 | [Flavanone]-A(2OH, 1Formyl, 1Methyl)-B(none) | Flavanone | Lawinal |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Flavone | 8-Demethylsideroxylin |
| 0.000 | [Flavone]-A(2OH, 2Methyl)-B(1OH) | Flavone | Syzalterin |
| 0.000 | [Flavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Flavone | Kanzakiflavone 2 |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(none) | Flavonol | Galangin 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(none) | Flavonol | 5,7-Dihydroxy-3-methoxy-8-methylflavone |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavonol | 3,5-Dihydroxy-7-methoxy-8-methylflavone |
| 0.000 | [Flavonol]-A(2OH, 2Methyl)-B(none) | Flavonol | 6,8-Dimethylgalangin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavone | Peltogynin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavone | Mopanin |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH, 1OMe)-B(1OMe) | 3-DehydroxyAnthocyanidin | Carajurin |
| 0.000 | [Isoflavone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy)) | Isoflavone | 2-Hydroxypseudobaptigenin |
| 0.000 | [Isoflavone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy)) | Isoflavone | Glyzaglabrin |
| 0.000 | [Isoflavone]-A(2OH)-B(1([@@]-Methylenedioxy)) | Isoflavone | 5-Hydroxypseudobaptigenin |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Isoflavone | Irisone B |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Isoflavone | Irilone |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavone]-A(1OH)-B(1OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavone | Bowdichione |
| 0.000 | [Pterocarpan]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan | Pterocarpin |
| 0.000 | [3-Phenylcoumarin]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy)) | 3-Phenylcoumarin | 7,2'-Dihydroxy-4',5'-methylenedioxy-3-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 2OMe)-B(none) | 4-phenylcoumarin | Kuhlmannin |
| 0.000 | [4-phenylcoumarin]-A(2OMe)-B(1OH) | 4-phenylcoumarin | 4'-Hydroxy-5,7-dimethoxy-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(1OMe) | 4-phenylcoumarin | 5-Hydroxy-7,4'-dimethoxy-4-phenylcoumarin |
| 0.000 | [CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OMe)-B(2OH) | CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin | 4',5'-Dihydroxy-7-methoxy-5,2'-oxido-4-phenylcoumarin |
| Level: 3, プリカーサーm/z: 341.09265 |
| Splash: splash10-0a4i-0019000000-c90d7479f4e0818e0190 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 309.11 | 546 | 32 | 1000 |
| 313.07 | 93 | 28 | 170 |
| 281.18 | 68 | 60 | 125 |
| 216.96 | 68 | 124 | 124 |
| 322.99 | 50 | 18 | 91 |
| 310.28 | 37 | 31 | 67 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.111 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavanone | Dihydrowighteone |
| 0.111 | [Isoflavanone]-A(1OH, 1(C-Prenyl))-B(2OH) | Isoflavanone | 7,2',4'-Trihydroxy-8-prenylisoflavanone |
| 0.095 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(2OH) | Flavanone | Euchrenone a7 |
| 0.095 | [2'-Hydroxychalcone]-A(2OH)-B(2OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Broussochalcone A |
| 0.095 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(2OH) | 2'-Hydroxychalcone | Morachalcone A |
| 0.059 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none) | Dihydroflavonol | 8-Prenylpinobanksin |
| 0.059 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none) | Dihydroflavonol | 6-Prenylpinobanksin |
| 0.053 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | Kushenol S |
| 0.053 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | 6-Prenylnaringenin |
| 0.053 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | Sophoraflavanone B |
| 0.053 | [Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Licoflavanone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | 2'-Hydroxychalcone | Psorachalcone A |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | 2'-Hydroxychalcone | Bakuchalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Bavachromanol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | 5-Prenyl-6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Helikrausichalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | 5'-Prenyllicodione |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Kanzonol A |
| 0.000 | [Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Dihydrochalcone | Crotin (chalcone) |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxy-3'-prenyldihydrochalcone |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | Flavanone | Brosimacutin D |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Flavanone | Brosimacutin E |
| 0.000 | [Flavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(none) | Flavanone | 5,7-Dihydroxy-8-C-(4-hydroxy-3-methyl-2-butenyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-(1,1-dimethylallyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Flavanone | Ugonin E |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH) | Flavanone | 5,4'-Dihydroxy-4'',4''-Dimethyl-5''-[2'',3'':7,6]methyldihydrofuranoflavanone |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Flavone | 7-Methoxy-5,6:3',4'-bis(methylenedioxy)flavone |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | CCS-type derivative / [3,2']-Epoxymethanoflavone | Pulcherrimin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavan | 2'-O-Methylphaseollidinisoflavan |
| 0.000 | [Isoflavan]-A(1OH, 1(1,1-Dimethylallyl))-B(1OH, 1OMe) | Isoflavan | Millinol B |
| 0.000 | [Isoflavan]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavan | 4'-O-Methylpreglabridin |
| 0.000 | [isoflavan-4-ol]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | isoflavan-4-ol | Ambanol |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | Pterocarpan | 10-(2-Hydroxy-3-methyl-3-butenyl)demethylmedicarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan-6a-ol | Sandwicarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan-6a-ol | Glyceocarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan-6a-ol | Glyceollidin I |
| 0.000 | [2-Phenylbenzofuran]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | 2-Phenylbenzofuran | Licocoumarone |