ピーク情報
|
きく 花びら 生 黄色
pos
|
| Peak #4617 MN MID: SE123_S060581_M90 |
| m/z: 565.24316, RT: 68.87, 強度: 13075, ログ強度: 0.68, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (15 names) Xylocarpin H;(+)-Xylocarpin H;Malleastrone A;(-)-Malleastrone A;Phenylpyropene A;Xylogranatin O;(-)-Xylogranatin O;Quivisianolide B;(-)-Quivisianolide B;Azelnidipine;Biliverdin-IX-beta;Biliverdin;21H-... |
| DBごとのヒット数: ALL 11 KG 3 KN 5 HM 3 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.118 |
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 |
|---|---|---|---|---|
| C32H38O10 | 582.24650 | -0.089 | Xylocarpin H | KNApSAcK: C00039288, C00040716 |
| C32H38O10 | 582.24650 | -0.089 | Malleastrone A | KNApSAcK: C00039717 |
| C32H38O10 | 582.24650 | -0.089 | Phenylpyropene A | KNApSAcK: C00015121 |
| C32H38O10 | 582.24650 | -0.089 | Xylogranatin O | KNApSAcK: C00048921 |
| C32H38O10 | 582.24650 | -0.089 | Quivisianolide B | KNApSAcK: C00035732 |
| C33H34O6N4 | 582.24783 | -2.386 | Azelnidipine | HMDB: HMDB0248792 |
| C33H34O6N4 | 582.24783 | -2.386 | Biliverdin-IX-beta | KEGG: C21724 |
| C33H34O6N4 | 582.24783 | -2.386 | Biliverdin | HMDB: HMDB0001008, [-2]HMDB0304275 |
| C33H34O6N4 | 582.24783 | -2.386 | Biliverdin | HMDB: HMDB0245624 KEGG: C00500 |
| C33H34O6N4 | 582.24783 | -2.386 | 3-O-(1-Benzhydrylazetidin-3-yl) 5-O-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate | HMDB: HMDB0260251 |
| C33H34O6N4 | 582.24783 | -2.386 | Biliverdin-IX-delta | KEGG: C21723 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 565.24164 |
| Splash: splash10-014i-0019320000-620aa17d7155db6c661d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 319.15 | 1397 | 246 | 1000 |
| 487.25 | 339 | 78 | 242 |
| 547.19 | 257 | 18 | 184 |
| 505.29 | 180 | 60 | 128 |
| 461.19 | 110 | 104 | 78 |
| 459.20 | 109 | 106 | 78 |
| 259.09 | 106 | 306 | 75 |
| 229.11 | 70 | 336 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH) | Flavone | Vicenin 1 |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | Schaftoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH) | Flavone | Isocorymboside |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl), 1(C-Galactosyl))-B(1OH) | Flavone | Neocorymboside |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH) | Flavone | 6-C-Xylopyranosyl-8-C-galactopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH) | Flavone | 6-C-Galactopyranosyl-8-C-xylopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH) | Flavone | Vicenin 3 |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | Isoschaftoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | Neoschaftoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | Neoisoschaftoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Apiofuranosyl))-B(1OH) | Flavone | 6-C-beta-D-Glucopyranosyl-8-C-beta-D-apiofuranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl), 1(C-Galactosyl))-B(1OH) | Flavone | Corymboside |
| Level: 3, プリカーサーm/z: 319.14594 |
| Splash: splash10-0a59-0090000000-91868b8079a8a0651a9f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 259.15 | 351 | 60 | 1000 |
| 231.05 | 231 | 88 | 656 |
| 213.14 | 77 | 106 | 217 |
| 241.02 | 71 | 78 | 201 |
| 199.08 | 32 | 120 | 89 |
| 215.22 | 26 | 104 | 75 |
| 171.06 | 24 | 148 | 69 |
| 217.11 | 18 | 102 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.118 | [Anthocyanidin]-A(3OH)-B(3OH) | Anthocyanidin | 6-Hydroxydelphinidin |
| 0.071 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-6-methoxyflavanone |
| 0.071 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | Dihydroisorhamnetin |
| 0.056 | [Flavone]-A(3OH)-B(3OH) | Flavone | 5,6,7,3',4',5'-Hexahydroxyflavone |
| 0.056 | [Flavone]-A(3OH)-B(3OH) | Flavone | 5,7,8,3',4',5'-Hexahydroxyflavone |
| 0.056 | [Flavone]-A(4OH)-B(2OH) | Flavone | Bitalgenin |
| 0.056 | [Flavanone]-A(3OH)-B(1OH, 1OMe) | Flavanone | 8-Hydroxyhesperetin |
| 0.056 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxy-6-methoxyflavanone |
| 0.056 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 6-Methoxyeriodictyol |
| 0.056 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxyeriodictyol |
| 0.040 | [Flavonol]-A(4OH)-B(1OH) | Flavonol | 3,5,6,7,8,4'-Hexahydroxyflavone |
| 0.040 | [Flavonol]-A(3OH)-B(2OH) | Flavonol | Quercetagetin |
| 0.040 | [Flavonol]-A(3OH)-B(2OH) | Flavonol | Gossypetin |
| 0.040 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 3,5,8,3',4',5'-Hexahydroxyflavone |
| 0.040 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | Myricetin |
| 0.040 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 5'-Hydroxymorin |
| 0.040 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 3,5,7,2',3',4'-Hexahydroxyflavone |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(2OH) | Dihydroflavonol | Taxifolin 3-methyl ether |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | 8-Methoxyfustin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | 3,5,2',3'-Tetrahydroxy-7-methoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | Taxifolin 5-methyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | Padmatin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 4'-methyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH)-B(2OH, 1OMe) | Dihydroflavonol | Sepinol |
| 0.000 | [Isoflavan]-A(2OH)-B(1OH, 2OMe) | Isoflavan | Bryaflavan |
| 0.000 | [Isoflavan]-A(2OH)-B(1OH, 2OMe) | Isoflavan | 8-Demethylduartin |
| 0.000 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,3'-dimethyl ether |
| 0.000 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 7,4'-dimethyl ether |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OMe) | Flavan 3-ol | Catechin 3',4'-dimethyl ether |
| 0.000 | [UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone]-A(2OH, 2Methyl)-B(1OH) | UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone | Protofarrerol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH) | Dihydroflavonol | 6-Methyltaxifolin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH) | Dihydroflavonol | Deodarin |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OH) | Flavan 4-ol | 4,5,7,4'-Tetrahydroxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [Isoflavanone-3-ol]-A(2OH)-B(1OH, 1OMe) | Isoflavanone-3-ol | Bolusanthin |
| 0.000 | [3-substituted 2-Phenylbenzofuran (3-COOH)]-A(2OH)-B(3OH) | 3-substituted 2-Phenylbenzofuran | Norwedelic acid |