ピーク情報
ミヤコグサ
pos
|
Peak #2782 MN MID: SE205_S07_M90 |
m/z: 741.22614, RT: 38.96, 強度: 58081, ログ強度: 1.27, アダクト: [M+IsoProp+H]+, 共有数(同様のピークを含むサンプル数): 3 |
DB検索結果: (8 names) Luteolin 7-(6''-malonylneohesperidoside);Kaempferol 3-(6G-malonylneohesperidoside);3-[[6-O-(Carboxyacetyl)-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphe... |
DBごとのヒット数: ALL 7 KN 6 HM 1 |
FlavonoidSearch最大スコア MS2: -, MS3: 0.444 |
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 |
---|---|---|---|---|
C30H32O18 | 680.15886 | 3.646 | Luteolin 7-(6''-malonylneohesperidoside) | FlavonoidViewer: FL3FACGS0053 KNApSAcK: C00004313 LipidMAPS: LMPK12110688 |
C30H32O18 | 680.15886 | 3.646 | Kaempferol 3-(6G-malonylneohesperidoside) | FlavonoidViewer: FL5FAAGS0113 KNApSAcK: C00013780 LipidMAPS: LMPK12111948 |
C30H32O18 | 680.15886 | 3.646 | Pelargonidin 3-(6''-malonylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AAAGL0024 KNApSAcK: [1]C00006763 LipidMAPS: [1]LMPK12010038 |
C30H32O18 | 680.15886 | 3.646 | Chrysoeriol 7-O-(6''-malonyl-apiosyl-glucoside) | HMDB: HMDB0301684 |
C30H32O18 | 680.15886 | 3.646 | Pelargonidin 3-(6-malonylglucoside)-7-glucoside | FlavonoidViewer: [1]FL7AAAGL0070 KNApSAcK: [1]C00014849 LipidMAPS: [1]LMPK12010084 |
C30H32O18 | 680.15886 | 3.646 | Pelargonidin 3-glucoside-5-(6'''-malonylglucoside) | FlavonoidViewer: [1]FL7AAAGL0025 KNApSAcK: [1]C00006764 LipidMAPS: [1]LMPK12010039 |
C30H32O18 | 680.15886 | 3.646 | Palargonidin 3-(6''-malonylsophoroside) | FlavonoidViewer: [1]FL7AAAGL0020 KNApSAcK: [1]C00006759 LipidMAPS: [1]LMPK12010034 |
MSnスペクトル情報
Level: 2, プリカーサーm/z: 741.22266 |
Splash: splash10-0002-0010290000-e9e4e3dfd0719f238bc4 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
595.02 | 9607 | 146 | 1000 |
287.09 | 1829 | 454 | 190 |
433.14 | 1416 | 308 | 147 |
449.08 | 909 | 292 | 94 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.000 | [Flavone]-A(2OH, 1(1(O-Feruloyl)-C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | Isoschaftoside 2'''-ferulate |
Level: 3, プリカーサーm/z: 595.02179 |
Splash: splash10-0002-0030900000-033fbaba0451d4a977f6 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
449.18 | 5312 | 146 | 1000 |
287.09 | 1919 | 308 | 361 |
433.13 | 287 | 162 | 53 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.000 | [Flavone]-A(2OH, 2(C-Glu))-B(1OH) | Flavone | Vicenin 2 |
0.000 | [Isoflavone]-A(2OH, 2(C-Glu))-B(1OH) | Isoflavone | Paniculatin |
0.000 | [UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone]-A(2OH, 1(C-Glu), 1([3,2:m,n]-(Epoxy-C-glucosyl)))-B(1OH) | UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone | Safflor yellow A |
0.000 | [3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH) | 3-substituted Flavone | 3,6-Di-C-glucosylapigenin |
0.000 | [3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH) | 3-substituted Flavone | 3,8-Di-C-glucopyranosylapigenin |
0.000 | [Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Galactosyl))-B(1OH) | Flavone | 6,8-Di-C-galactopyranosylapigenin |
0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Galactosyl))-B(1OH) | Flavone | 6-C-Glucopyranosyl-8-C-galactopyranosylapigenin |
0.000 | [Flavone]-A(2OH, 1(1(O-(E)-p-Coumaroyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2''-O-(E)-p-coumarate |
0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe) | Flavone | 6-C-Xylopyranosyl-8-C-glucopyranosylchrysoeriol |
0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe) | Flavone | 6-C-Glucopyranosyl-8-C-xylopyranosylchrysoeriol |
0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe) | Flavone | Chrysoeriol 6-C-glucoside-8-C-arabinopyranoside |
0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe) | Flavone | Chrysoeriol 6-C-arabinopyranoside-8-C-glucoside |
0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(2OH) | Flavone | Elatin |
0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe) | Flavone | 6,8-Di-C-arabinopyranosyltricin |
0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe) | Flavone | 6,8-Di-C-arabinopyranosylapometzgerin |
Level: 3, プリカーサーm/z: 287.09302 |
Splash: splash10-0ly9-0980000000-c6c477a6044a6d98c89e |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
287.01 | 73 | 0 | 1000 |
164.96 | 42 | 122 | 569 |
269.10 | 32 | 18 | 436 |
241.10 | 25 | 46 | 341 |
146.91 | 24 | 140 | 333 |
153.03 | 24 | 134 | 325 |
258.91 | 24 | 28 | 325 |
120.88 | 20 | 166 | 269 |
202.90 | 19 | 84 | 256 |
159.17 | 17 | 128 | 231 |
161.08 | 14 | 126 | 191 |
144.94 | 12 | 142 | 159 |
132.89 | 12 | 154 | 158 |
213.24 | 11 | 74 | 145 |
137.18 | 11 | 150 | 145 |
111.04 | 10 | 176 | 130 |
231.00 | 8 | 56 | 106 |
134.66 | 7 | 152 | 100 |
185.17 | 7 | 102 | 98 |
196.83 | 7 | 90 | 94 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.542 | [Flavonol]-A(2OH)-B(1OH) | Flavonol | 3,7,8,4'-Tetrahydroxyflavone |
0.542 | [Flavonol]-A(2OH)-B(1OH) | Flavonol | Kaempferol |
0.440 | [Flavonol]-A(2OH)-B(1OH) | Flavonol | Datiscetin |
0.423 | [Flavonol]-A(1OH)-B(2OH) | Flavonol | Fisetin |
0.292 | [Isoflavone]-A(2OH)-B(2OH) | Isoflavone | 7,8,2',4'-Tetrahydroxyisoflavone |
0.292 | [Isoflavone]-A(2OH)-B(2OH) | Isoflavone | Orobol |
0.292 | [Isoflavone]-A(2OH)-B(2OH) | Isoflavone | 2'-Hydroxygenistein |
0.286 | [Flavonol]-A(3OH)-B(none) | Flavonol | 6-Hydroxygalangin |
0.286 | [Flavonol]-A(3OH)-B(none) | Flavonol | 8-Hydroxygalangin |
0.240 | [Isoflavone]-A(3OH)-B(1OH) | Isoflavone | 6-Hydroxygenistein |
0.217 | [Isoflavanone]-A(2OH)-B(1OMe) | Isoflavanone | Dihydrobiochanin A |
0.200 | [Flavanone]-A(2OH)-B(1OMe) | Flavanone | 5,6-Dihydroxy-4'-methoxyflavanone |
0.200 | [Flavanone]-A(2OH)-B(1OMe) | Flavanone | Isosakuranetin |
0.192 | [Isoflavone]-A(1OH)-B(3OH) | Isoflavone | Baptigenin |
0.190 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Nissolin |
0.190 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Vesticarpan |
0.190 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Kushenin |
0.190 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | 3,8-Dihydroxy-9-methoxypterocarpan |
0.190 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Nissicarpin |
0.167 | [Isoflavanone]-A(1OH)-B(1OH, 1OMe) | Isoflavanone | 3'-Hydroxydihydroformononetin |
0.167 | [Isoflavanone]-A(1OH)-B(1OH, 1OMe) | Isoflavanone | Vestitone |
0.167 | [2'-Hydroxychalcone]-A(3OH)-B(1OMe) | 2'-Hydroxychalcone | 2',4',6'-Trihydroxy-4-methoxychalcone |
0.154 | [Chalcone]-A(1OH)-B(2OH, 1OMe) | Chalcone | Licochalcone B |
0.154 | [Flavone]-A(1OH)-B(3OH) | Flavone | 7,3',4',5'-Tetrahydroxyflavone |
0.154 | [Flavone]-A(2OH)-B(2OH) | Flavone | 5,7,2',5'-Tetrahydroxyflavone |
0.154 | [Flavone]-A(2OH)-B(2OH) | Flavone | 5,7,2',6'-Tetrahydroxyflavone |
0.154 | [Flavone]-A(2OH)-B(2OH) | Flavone | 5,7,2',3'-Tetrahydroxyflavone |
0.154 | [Flavone]-A(2OH)-B(2OH) | Flavone | Luteolin |
0.154 | [Flavone]-A(2OH)-B(2OH) | Flavone | Norartocarpetin |
0.154 | [Flavone]-A(3OH)-B(1OH) | Flavone | 5,6,7,2'-Tetrahydroxyflavone |
0.154 | [Flavone]-A(3OH)-B(1OH) | Flavone | Scutellarein |
0.154 | [Flavone]-A(3OH)-B(1OH) | Flavone | 5,7,8,2'-Tetrahydroxyflavone |
0.154 | [Flavone]-A(3OH)-B(1OH) | Flavone | Isoscutellarein |
0.154 | [Anthocyanidin]-A(2OH)-B(2OH) | Anthocyanidin | Cyanidin |
0.154 | [Anthocyanidin]-A(3OH)-B(1OH) | Anthocyanidin | Aurantinidin |
0.154 | [Flavanone]-A(1OH, 1OMe)-B(1OH) | Flavanone | Dihydroechioidinin |
0.154 | [Flavanone]-A(1OH, 1OMe)-B(1OH) | Flavanone | Naringenin 5-methyl ether |
0.154 | [Flavanone]-A(1OH, 1OMe)-B(1OH) | Flavanone | Sakuranetin |
0.136 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH) | Pterocarpan | Melilotocarpan B |
0.136 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH) | Pterocarpan | Desmocarpin |
0.130 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none) | Dihydroflavonol | Pinobanksin 5-methyl ether |
0.130 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none) | Dihydroflavonol | Alpinone |
0.120 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Kukulkanin B |
0.120 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | 2,2',6'-Trihydroxy-4'-methoxychalcone |
0.120 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | 2,2',4'-Trihydroxy-6'-methoxychalcone |
0.120 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Neosakuranetin |
0.120 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Helichrysetin |
0.095 | [Dihydroflavonol]-A(1OH)-B(1OMe) | Dihydroflavonol | Garbanzol 4'-methyl ether |
0.095 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none) | Dihydroflavonol | 3,7-Dihydroxy-6-methoxyflavanone |
0.087 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin 3-methyl ether |
0.077 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(2OH) | 2'-Hydroxychalcone | Calythropsin |
0.077 | [2'-Hydroxychalcone]-A(3OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',3',4'-dihydroxy-6'-methoxychalcone |
0.077 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Homobutein |
0.077 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 3,2',4'-Trihydroxy-4-methoxychalcone |
0.071 | [Chalcone]-A(1OH, 1OMe)-B(2OH) | Chalcone | Sappanchalcone |
0.071 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | 5-Methoxydihydrobaicalein |
0.071 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | Dihydrooroxylin A |
0.071 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | 5,8-Dihydroxy-7-methoxyflavanone |
0.071 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | Dihydrowogonin |
0.043 | [Isoflavan]-A(1OH)-B(2OMe) | Isoflavan | Sativan |
0.042 | [Pterocarpan]-A(2OH)-B(1OMe) | Pterocarpan | 4-Hydroxymedicarpin |
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 | [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 |