ピーク情報
|
ゼニゴケ Takaragaike-1
pos
|
| Peak #1751 MN MID: SE205_S05_M90 |
| m/z: 639.11882, RT: 40.34, 強度: 298482, ログ強度: 2.07, 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: (9 names) Scutellarein 7-glucuronosyl-(1->2)-glucuronide;Luteolin 7,4'-diglucuronide;Chesnatin;Luteolin 7-glucuronosyl-(1->2)-glucuronide;Luteolin 7-O-diglucuronide;Luteolin 3',4'-diglucuronide;Isochesnatin;Iso... |
| DBごとのヒット数: ALL 9 KG 1 KN 6 HM 2 |
| FlavonoidSearch最大スコア MS2: -, 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 |
|---|---|---|---|---|
| C27H26O18 | 638.11191 | -0.580 | 6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide | FlavonoidViewer: FL3FEAGS0030 HMDB: HMDB0040827 KNApSAcK: C00004488 LipidMAPS: LMPK12111134 |
| C27H26O18 | 638.11191 | -0.580 | Luteolin 7,4'-diglucuronide | FlavonoidViewer: FL3FACGS0038 KNApSAcK: C00004298 LipidMAPS: LMPK12110673 |
| C27H26O18 | 638.11191 | -0.580 | Chesnatin | HMDB: HMDB0039267 KNApSAcK: C00055087 |
| C27H26O18 | 638.11191 | -0.580 | Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] | FlavonoidViewer: FL3FACGS0028 HMDB: HMDB0060297 KEGG: C12632 KNApSAcK: C00004288 LipidMAPS: LMPK12110663 |
| C27H26O18 | 638.11191 | -0.580 | Luteolin 7-O-diglucuronide | HMDB: HMDB0301678 |
| C27H26O18 | 638.11191 | -0.580 | Luteolin 3',4'-diglucuronide | FlavonoidViewer: FL3FACGS0041, FL3FACGS0042 KNApSAcK: C00004301, C00004302 LipidMAPS: LMPK12110676, LMPK12110677 |
| C27H26O18 | 638.11191 | -0.580 | Isochesnatin | HMDB: HMDB0039266 |
| C27H26O18 | 638.11191 | -0.580 | Isochesnatin | KNApSAcK: C00050887 |
| C27H26O18 | 638.11191 | -0.580 | Luteolin 7,3'-diglucuronide | FlavonoidViewer: FL3FACGS0032, FL3FACGS0033 KNApSAcK: C00004292, C00004293 LipidMAPS: LMPK12110667, LMPK12110668 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 639.11639 |
| Splash: splash10-03di-0010900000-336139bea1a7dc87993f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 463.15 | 354017 | 176 | 1000 |
| 287.17 | 53183 | 352 | 150 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(1(O-Feruloyl)-C-Glu))-B(1OH, 1OMe) | Flavone | Isoscoparin 2''-O-ferulate |
| Level: 3, プリカーサーm/z: 463.14972 |
| Splash: splash10-000i-0090000000-103b2879c480766f8beb |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 287.06 | 356706 | 176 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(4OMe)-B(4OMe) | Flavone | Agehoustin A |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | Isoscoparin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | 6-C-beta-D-Glucopyranosyldiosmetin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Swertiajaponin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | Scoparin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | 8-C-beta-D-Glucopyranosyldiosmetin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Parkinsonin A |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Isoswertiajaponin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(C-Glu))-B(1OH) | Flavonol | Keyakinin |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Isoflavone | Dalpanitin |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(2OH, 3(C-Prenyl))-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | Helilupolone |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(2OH) | Flavonol | 6-C-Rhamnopyranosylrhamnetin |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(3OMe) | Flavonol | Exoticin |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(3OMe) | Flavonol | Purpurascenin |
| 0.000 | [Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl)) | Flavan | Kazinol E |
| 0.000 | [Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl)) | Flavan | Kazinol Q |
| 0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin (3',4'-Dihydroxy)]-A(1OH)-B(1OH, 2OMe) | CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin | Malvidin 4-vinylcatechol |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Euchrenone b3 |
| Level: 3, プリカーサーm/z: 287.17285 |
| Splash: splash10-000i-0190000000-4c0e99604603b0762e18 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 287.09 | 7600 | 0 | 1000 |
| 152.90 | 1145 | 134 | 150 |
| 244.97 | 440 | 42 | 57 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.333 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin 3-methyl ether |
| 0.222 | [2'-Hydroxychalcone]-A(3OH)-B(1OMe) | 2'-Hydroxychalcone | 2',4',6'-Trihydroxy-4-methoxychalcone |
| 0.182 | [Flavone]-A(1OH)-B(3OH) | Flavone | 7,3',4',5'-Tetrahydroxyflavone |
| 0.182 | [Flavone]-A(2OH)-B(2OH) | Flavone | 5,7,2',5'-Tetrahydroxyflavone |
| 0.182 | [Flavone]-A(2OH)-B(2OH) | Flavone | 5,7,2',6'-Tetrahydroxyflavone |
| 0.182 | [Flavone]-A(2OH)-B(2OH) | Flavone | 5,7,2',3'-Tetrahydroxyflavone |
| 0.182 | [Flavone]-A(2OH)-B(2OH) | Flavone | Luteolin |
| 0.182 | [Flavone]-A(2OH)-B(2OH) | Flavone | Norartocarpetin |
| 0.182 | [Flavanone]-A(2OH)-B(1OMe) | Flavanone | 5,6-Dihydroxy-4'-methoxyflavanone |
| 0.182 | [Flavanone]-A(2OH)-B(1OMe) | Flavanone | Isosakuranetin |
| 0.143 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH) | Pterocarpan | Melilotocarpan B |
| 0.143 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH) | Pterocarpan | Desmocarpin |
| 0.143 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Nissolin |
| 0.143 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Vesticarpan |
| 0.143 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Kushenin |
| 0.143 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | 3,8-Dihydroxy-9-methoxypterocarpan |
| 0.143 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Nissicarpin |
| 0.125 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none) | Dihydroflavonol | Pinobanksin 5-methyl ether |
| 0.125 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none) | Dihydroflavonol | Alpinone |
| 0.118 | [Flavonol]-A(2OH)-B(1OH) | Flavonol | Datiscetin |
| 0.118 | [Flavonol]-A(3OH)-B(none) | Flavonol | 6-Hydroxygalangin |
| 0.118 | [Flavonol]-A(3OH)-B(none) | Flavonol | 8-Hydroxygalangin |
| 0.111 | [Flavonol]-A(2OH)-B(1OH) | Flavonol | 3,7,8,4'-Tetrahydroxyflavone |
| 0.111 | [Flavonol]-A(2OH)-B(1OH) | Flavonol | Kaempferol |
| 0.100 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Kukulkanin B |
| 0.100 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | 2,2',6'-Trihydroxy-4'-methoxychalcone |
| 0.100 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | 2,2',4'-Trihydroxy-6'-methoxychalcone |
| 0.100 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Neosakuranetin |
| 0.100 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Helichrysetin |
| 0.100 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(2OH) | 2'-Hydroxychalcone | Calythropsin |
| 0.100 | [2'-Hydroxychalcone]-A(3OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',3',4'-dihydroxy-6'-methoxychalcone |
| 0.100 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Homobutein |
| 0.100 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 3,2',4'-Trihydroxy-4-methoxychalcone |
| 0.100 | [Isoflavanone]-A(1OH)-B(1OH, 1OMe) | Isoflavanone | 3'-Hydroxydihydroformononetin |
| 0.100 | [Isoflavanone]-A(1OH)-B(1OH, 1OMe) | Isoflavanone | Vestitone |
| 0.100 | [Isoflavanone]-A(2OH)-B(1OMe) | Isoflavanone | Dihydrobiochanin A |
| 0.083 | [Flavone]-A(3OH)-B(1OH) | Flavone | 5,6,7,2'-Tetrahydroxyflavone |
| 0.083 | [Flavone]-A(3OH)-B(1OH) | Flavone | Scutellarein |
| 0.083 | [Flavone]-A(3OH)-B(1OH) | Flavone | 5,7,8,2'-Tetrahydroxyflavone |
| 0.083 | [Flavone]-A(3OH)-B(1OH) | Flavone | Isoscutellarein |
| 0.083 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | 5-Methoxydihydrobaicalein |
| 0.083 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | Dihydrooroxylin A |
| 0.083 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | 5,8-Dihydroxy-7-methoxyflavanone |
| 0.083 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | Dihydrowogonin |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(1OH) | Flavanone | Dihydroechioidinin |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(1OH) | Flavanone | Naringenin 5-methyl ether |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(1OH) | Flavanone | Sakuranetin |
| 0.083 | [Chalcone]-A(1OH)-B(2OH, 1OMe) | Chalcone | Licochalcone B |
| 0.083 | [Chalcone]-A(1OH, 1OMe)-B(2OH) | Chalcone | Sappanchalcone |
| 0.077 | [Isoflavone]-A(2OH)-B(2OH) | Isoflavone | 7,8,2',4'-Tetrahydroxyisoflavone |
| 0.077 | [Isoflavone]-A(2OH)-B(2OH) | Isoflavone | Orobol |
| 0.077 | [Isoflavone]-A(2OH)-B(2OH) | Isoflavone | 2'-Hydroxygenistein |
| 0.053 | [Flavonol]-A(1OH)-B(2OH) | Flavonol | Fisetin |
| 0.000 | [Anthocyanidin]-A(2OH)-B(2OH) | Anthocyanidin | Cyanidin |
| 0.000 | [Anthocyanidin]-A(3OH)-B(1OH) | Anthocyanidin | Aurantinidin |
| 0.000 | [Dihydroflavonol]-A(1OH)-B(1OMe) | Dihydroflavonol | Garbanzol 4'-methyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none) | Dihydroflavonol | 3,7-Dihydroxy-6-methoxyflavanone |
| 0.000 | [Isoflavan]-A(1OH)-B(2OMe) | Isoflavan | Sativan |
| 0.000 | [Isoflavan]-A(1OMe)-B(1OH, 1OMe) | Isoflavan | Isosativan |
| 0.000 | [Isoflavan]-A(1OMe)-B(1OH, 1OMe) | Isoflavan | Arvensan |
| 0.000 | [Dihydrochalcone]-A(1OH, 2OMe)-B(none) | Dihydrochalcone | Dihydroflavokawin B |
| 0.000 | [Dihydrochalcone]-A(2OMe)-B(1OH) | Dihydrochalcone | 4-Hydroxy-2',4'-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(2OMe) | Dihydrochalcone | 4'-Hydroxy-2,6-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(2OMe) | Dihydrochalcone | Loureirin A |
| 0.000 | [Isoflavone]-A(1OH)-B(3OH) | Isoflavone | Baptigenin |
| 0.000 | [Isoflavone]-A(3OH)-B(1OH) | Isoflavone | 6-Hydroxygenistein |
| 0.000 | [Pterocarpan]-A(2OH)-B(1OMe) | Pterocarpan | 4-Hydroxymedicarpin |
| 0.000 | [Aurone]-A(2OH)-B(2OH) | Aurone | Maritimetin |
| 0.000 | [Aurone]-A(2OH)-B(2OH) | Aurone | Aureusidin |
| 0.000 | [Aurone]-A(3OH)-B(1OH) | Aurone | Helmon |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1OMe)-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Licodione 2'-methyl ether |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',6',beta-Trihydroxy-4'-methoxychalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',4',beta-Trihydroxy-6'-methoxychalcone |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone]-A(2OH)-B(1OH) | UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone | 4,4',6'-Trihydroxy-[2',5']-benzoquinonechalcone |
| 0.000 | [UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone]-A(2OMe)-B(none) | UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone | Linderone |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1([@@]-Methylenedioxy)) | Dihydrochalcone | 2',4'-Dihydroxy-3,4-methylenedioxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(none) | Dihydrochalcone | Myrigalone H |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1Formyl)-B(none) | Dihydrochalcone | 3'-Formyl-2',4',6'-trihydroxydihydrochalcone |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(1OH) | Flavanone | Poriol |
| 0.000 | [3-substituted Flavanone (3-Methyl)]-A(2OH)-B(1OH) | 3-substituted Flavanone | 3-Methylnaringenin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(none) | Dihydroflavonol | 6-Methypinobanksin |
| 0.000 | [Flavan 3-ol]-A(1OMe, 1Methyl)-B(1OH) | Flavan 3-ol | Tupichinol A |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavan | Peltogynan |
| 0.000 | [Flavan]-A(1OMe)-B(1OH, 1OMe) | Flavan | 4'-Hydroxy-7,3'-dimethoxyflavan |
| 0.000 | [Flavan]-A(1OH, 1Methyl)-B(1OH, 1OMe) | Flavan | 7,3'-Dihydroxy-4'-methoxy-8-methylflavan |
| 0.000 | [Flavan]-A(1OH, 1Methyl)-B(1OH, 1OMe) | Flavan | 7,4'-Dihydroxy-3'-methoxy-8-methylflavan |
| 0.000 | [Flavan]-A(1OH, 1OMe)-B(1OMe) | Flavan | 7-Hydroxy-5,4'-dimethoxyflavan |
| 0.000 | [Flavan]-A(1OH, 1OMe)-B(1OMe) | Flavan | 5-Hydroxy-7,4'-dimethoxyflavan |
| 0.000 | [Flavan]-A(2OMe)-B(1OH) | Flavan | 4'-Hydroxy-5,7-dimethoxyflavan |
| 0.000 | [Flavan]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Flavan | 5,4'-Dihydroxy-7'-methoxy-8-methylflavan |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH)-B(3OH) | 3-DehydroxyAnthocyanidin | Tricetinidin |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH)-B(1OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Claussequinone |
| 0.000 | [isoflavene]-A(1OH)-B(2OH, 1OMe) | isoflavene | Sepiol |
| 0.000 | [isoflavene]-A(1OH)-B(2OH, 1OMe) | isoflavene | Haginin C |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OMe) | Pterocarpan-6a-ol | 6a-Hydroxymedicarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OMe)-B(1OH) | Pterocarpan-6a-ol | 6a-Hydroxyisomedicarpin |
| 0.000 | [2-Phenylbenzofuran]-A(1OH, 1OMe)-B(1OH, 1OMe) | 2-Phenylbenzofuran | Sainfuran |
| 0.000 | [2-Phenylbenzofuran]-A(2OMe)-B(2OH) | 2-Phenylbenzofuran | 2',4'-Dihydroxy-5,6-dimethoxy-2-phenylbenzofuran |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(1OH, 2OMe) | 2-Phenylbenzofuran | Pterofuran |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(1OH, 2OMe) | 2-Phenylbenzofuran | Isopterofuran |
| 0.000 | [alpha-Methyldeoxybenzoin]-A(1OH, 1OMe)-B(1OMe) | alpha-Methyldeoxybenzoin | 2-O-Methylangolensin |
| 0.000 | [alpha-Methyldeoxybenzoin]-A(1OH, 1OMe)-B(1OMe) | alpha-Methyldeoxybenzoin | 4-O-Methylangolensin |
| 0.000 | [4-phenylcoumarin]-A(2OH)-B(2OH) | 4-phenylcoumarin | 5,7,3',4'-Tetrahydroxy-4-phenylcoumarin |
| 0.000 | [[3,2']-Methano-4-phenylchroman (3-OH)]-A(1OH)-B(2OH) | [3,2']-Methano-4-phenylchroman | Brazilin |
| 0.000 | [Dalbergiquinol]-A(1OH, 2OMe)-B(1OH) | Dalbergiquinol | Latifolin |
| 0.000 | [Dalbergiquinol]-A(1OH, 2OMe)-B(1OH) | Dalbergiquinol | 5,3'-Dihydroxy-2,4-dimethoxydalbergiquinol |
| 0.000 | [Dalbergiquinol]-A(2OH, 2OMe)-B(none) | Dalbergiquinol | 2,5-Dihydroxy-3,4-dimethoxydalbergiquinol |