ピーク情報
|
イチョウ 葉
pos
|
| Peak #4331 MN MID: SE205_S01_M90 |
| m/z: 495.11385, RT: 44.33, 強度: 50899, ログ強度: 1.16, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (30 names) Quercetagetin 7-methyl ether 6-glucoside;2-(3,4-Dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one;Annulatin 3'-glucoside;Quercetagetin 3'-methyl ether 3-gluco... |
| DBごとのヒット数: ALL 25 KN 25 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.524 |
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 |
|---|---|---|---|---|
| C22H22O13 | 494.10604 | 1.082 | Quercetagetin 7-methyl ether 6-glucoside | FlavonoidViewer: FL5FECGS0060 KNApSAcK: C00013949 LipidMAPS: LMPK12112964 |
| C22H22O13 | 494.10604 | 1.082 | Annulatin 3'-glucoside | FlavonoidViewer: FL5FDGGS0003 KNApSAcK: C00005752 LipidMAPS: LMPK12112775 |
| C22H22O13 | 494.10604 | 1.082 | Patuletin 3-galactoside | FlavonoidViewer: FL5FECGA0001, FL5FECGL0003 KNApSAcK: C00005638, C00005639 LipidMAPS: LMPK12112886, LMPK12112892 |
| C22H22O13 | 494.10604 | 1.082 | Quercetagetin 3'-methyl ether 3-glucoside | FlavonoidViewer: FL5FECGA0003, FL5FECGL0009 KNApSAcK: C00005652, C00005653 LipidMAPS: LMPK12112888, LMPK12112898 |
| C22H22O13 | 494.10604 | 1.082 | Patuletin 7-glucoside | FlavonoidViewer: FL5FECGS0009, FL5FECGS0010 HMDB: HMDB0303788 KNApSAcK: C00005643, C00005644 LipidMAPS: LMPK12112913, LMPK12112914 |
| C22H22O13 | 494.10604 | 1.082 | Ranupenin 8-glucoside | FlavonoidViewer: FL5FFCGL0004 KNApSAcK: C00005700 LipidMAPS: LMPK12113183 |
| C22H22O13 | 494.10604 | 1.082 | Myricetin 4'-methyl ether 3-O-beta-D-galactopyranoside | FlavonoidViewer: FL5FAJGA0002 KNApSAcK: C00011180 LipidMAPS: LMPK12112500 |
| C22H22O13 | 494.10604 | 1.082 | Quercetagetin 7-methyl ether 4'-glucoside | FlavonoidViewer: FL5FECGS0061 KNApSAcK: C00013950 LipidMAPS: LMPK12112965 |
| C22H22O13 | 494.10604 | 1.082 | 3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone 3-alpha-L-arabinopyranoside | FlavonoidViewer: FL5FGCGS0001 KNApSAcK: C00005782 LipidMAPS: LMPK12113323 |
| C22H22O13 | 494.10604 | 1.082 | Pleurostimin 7-glucoside | FlavonoidViewer: FL3FGCGS0010 KNApSAcK: C00004522 LipidMAPS: LMPK12111465 |
| C22H22O13 | 494.10604 | 1.082 | Quercetagetin 7-methyl ether 3-glucoside | FlavonoidViewer: FL5FECGL0008 KNApSAcK: C00005651 LipidMAPS: LMPK12112897 |
| C22H22O13 | 494.10604 | 1.082 | Patuletin 5-glucoside | FlavonoidViewer: FL5FECGS0008 KNApSAcK: C00005642 LipidMAPS: LMPK12112912 |
| C22H22O13 | 494.10604 | 1.082 | Corniculatusin 3-glucoside | FlavonoidViewer: FL5FFCGA0004, FL5FFCGL0006 KNApSAcK: C00005704, C00005705 LipidMAPS: LMPK12113177, LMPK12113185 |
| C22H22O13 | 494.10604 | 1.082 | Hibiscetin 8-methyl ether 3-rhamnoside | FlavonoidViewer: FL5FFGGS0001 KNApSAcK: C00005794 LipidMAPS: LMPK12113269 |
| C22H22O13 | 494.10604 | 1.082 | Laricitrin 7-glucoside | FlavonoidViewer: FL5FAHGS0002 KNApSAcK: C00005763 LipidMAPS: LMPK12112478 |
| C22H22O13 | 494.10604 | 1.082 | Myricetin 5-methyl ether 7-glucoside | FlavonoidViewer: FL5FBGGS0002 KNApSAcK: C00005757 LipidMAPS: LMPK12112554 |
| C22H22O13 | 494.10604 | 1.082 | Myricetin 5-methyl ether 3-glucoside | FlavonoidViewer: FL5FBGGA0001, FL5FBGGL0001 KNApSAcK: C00005754, C00005755 LipidMAPS: LMPK12112551, LMPK12112552 |
| C22H22O13 | 494.10604 | 1.082 | Europetin 3-galactoside | FlavonoidViewer: FL5FCGGA0001 KNApSAcK: C00005758 LipidMAPS: LMPK12112660 |
| C22H22O13 | 494.10604 | 1.082 | Quercetagetin 3-methyl ether 6-glucoside | FlavonoidViewer: FL5FECGS0003 KNApSAcK: C00005635 LipidMAPS: LMPK12112907 |
| C22H22O13 | 494.10604 | 1.082 | Laricitrin 5'-glucoside | FlavonoidViewer: FL5FAHGS0003 KNApSAcK: C00005764 LipidMAPS: LMPK12112479 |
| C22H22O13 | 494.10604 | 1.082 | Haploside B | FlavonoidViewer: FL5FFCGS0012 KNApSAcK: C00005708 LipidMAPS: LMPK12113205 |
| C22H22O13 | 494.10604 | 1.082 | Ranupenin 3-galactoside | FlavonoidViewer: FL5FFCGA0002 KNApSAcK: C00005698 LipidMAPS: LMPK12113175 |
| C22H22O13 | 494.10604 | 1.082 | Laricitrin 3-glucoside | FlavonoidViewer: FL5FAHGA0001, FL5FAHGL0001 KNApSAcK: C00005760, C00005761 LipidMAPS: LMPK12112470, LMPK12112471 |
| C22H22O13 | 494.10604 | 1.082 | Quercetagetin 3'-methyl ether 7-glucoside | FlavonoidViewer: FL5FECGS0012 HMDB: HMDB0038866 KNApSAcK: C00005654 LipidMAPS: LMPK12112916 |
| C22H22O13 | 494.10604 | 1.082 | Quercetagetin 3-methyl ether 7-glucoside | FlavonoidViewer: FL5FECGS0004 KNApSAcK: C00005636 LipidMAPS: LMPK12112908 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 495.11374 |
| Splash: splash10-001i-0009000000-9547f664571aa1c45af3 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 333.11 | 31599 | 162 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Dihydrochalcone]-A(3OH, 1Geranyl)-B(2OH, 1(C-Prenyl)) | Dihydrochalcone | 2',4',6',3,4-Pentahydroxy-3'-geranyl-5-prenyldihydrochalcone |
| Level: 3, プリカーサーm/z: 333.11450 |
| Splash: splash10-0gb9-0589000000-5883eb5afcadb4670852 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 318.15 | 3471 | 15 | 1000 |
| 301.06 | 2128 | 32 | 613 |
| 277.09 | 2028 | 56 | 584 |
| 273.10 | 1404 | 60 | 404 |
| 287.16 | 1234 | 46 | 355 |
| 164.92 | 1195 | 168 | 344 |
| 138.97 | 1077 | 194 | 310 |
| 315.12 | 828 | 18 | 238 |
| 167.00 | 582 | 166 | 167 |
| 152.94 | 581 | 180 | 167 |
| 304.15 | 555 | 29 | 159 |
| 241.11 | 433 | 92 | 124 |
| 178.98 | 406 | 154 | 116 |
| 259.12 | 389 | 74 | 112 |
| 245.05 | 362 | 88 | 104 |
| 193.01 | 301 | 140 | 86 |
| 255.14 | 229 | 78 | 65 |
| 249.11 | 181 | 84 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.684 | [Flavonol]-A(2OH)-B(2OH, 1OMe) | Flavonol | Laricitrin |
| 0.684 | [Flavonol]-A(2OH)-B(2OH, 1OMe) | Flavonol | Mearnsetin |
| 0.600 | [Flavonol]-A(1OH, 1OMe)-B(3OH) | Flavonol | Myricetin 5-methyl ether |
| 0.600 | [Flavonol]-A(1OH, 1OMe)-B(3OH) | Flavonol | Europetin |
| 0.333 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Allopatuletin |
| 0.333 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Patuletin |
| 0.333 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Quercetagetin 7-methyl ether |
| 0.333 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Ranupetin |
| 0.333 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Corniculatusin |
| 0.333 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3'-methyl ether |
| 0.333 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 4'-methyl ether |
| 0.333 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Haplogenin |
| 0.208 | [Flavanone]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavanone | Dihydrotricetin 7,3'-dimethyl ether |
| 0.174 | [Isoflavanone]-A(2OH)-B(1OH, 2OMe) | Isoflavanone | Parvisoflavanone |
| 0.115 | [Flavanone]-A(2OH)-B(1OH, 2OMe) | Flavanone | 7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone |
| 0.115 | [Flavanone]-A(2OH)-B(1OH, 2OMe) | Flavanone | 5,7,4'-Trihydroxy-3',5'-dimethoxyflavanone |
| 0.087 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 7,3'-dimethyl ether |
| 0.087 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 7,4'-dimethyl ether |
| 0.087 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone |
| 0.074 | [Flavanone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone |
| 0.074 | [Flavanone]-A(1OH, 2OMe)-B(2OH) | Flavanone | Dioclein |
| 0.074 | [Flavanone]-A(1OH, 2OMe)-B(2OH) | Flavanone | 5,2',5'-Trihydroxy-7,8-dimethoxyflavanone |
| 0.050 | [Flavone]-A(2OH, 1OMe)-B(3OH) | Flavone | 3',4',5'-Trihydroxywogonin |
| 0.050 | [Flavone]-A(3OH, 1OMe)-B(2OH) | Flavone | 5,7,8,3',4'-Pentahydroxy-6-methoxyflavone |
| 0.050 | [Flavone]-A(3OH, 1OMe)-B(2OH) | Flavone | 5,6,7,3',4'-Pentahydroxy-8-methoxyflavone |
| 0.048 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe) | Dihydroflavonol | 3,5,7-Trihydroxy-6,4'-dimethoxyflavanone |
| 0.048 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe) | Dihydroflavonol | 3,5,7-Trihydroxy-8,4'-dimethoxyflavanone |
| 0.048 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone |
| 0.048 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,3'-Trihydroxy-7,2'-dimethoxyflavanone |
| 0.048 | [Dihydroflavonol]-A(1OH, 2OMe)-B(1OH) | Dihydroflavonol | 3,5,4'-Trihydroxy-6,7-dimethoxyflavanone |
| 0.048 | [Dihydroflavonol]-A(1OH, 2OMe)-B(1OH) | Dihydroflavonol | 3,5,2'-Trihydroxy-7,8-dimethoxyflavanone |
| 0.000 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Isoflavan | Duartin |
| 0.000 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Isoflavan | Isoduartin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 3OMe) | Isoflavan | Lonchocarpan |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe) | Dihydrochalcone | 2',4'-Dihydroxy-3,4,6'-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe) | Dihydrochalcone | 2',6'-Dihydroxy-3,4,4'-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 3OMe)-B(none) | Dihydrochalcone | Dihydropedicin |
| 0.000 | [Dihydrochalcone]-A(2OH, 3OMe)-B(none) | Dihydrochalcone | 3',5'-Dihydroxy-2',4',6'-trimethoxydihydrochalcone |
| 0.000 | [Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,7,3'-trimethyl ether |
| 0.000 | [Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,7,4'-trimethyl ether |
| 0.000 | [CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone]-A(2OH)-B(2OH) | CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone | Crombenin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(3OH) | Flavonol | Annulatin |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(3OH) | Flavonol | Pinomyricetin |
| 0.000 | [Flavonol]-A(2OH)-B(3OH, 1Methyl) | Flavonol | 2'-C-Methylmyricetin |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(2OH) | Flavonol | Quercetagetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(2OH) | Flavonol | Gossypetin 3-methyl ether |
| 0.000 | [4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(none) | 4-substituted Flavan 3-ol | 3'-Deoxydryopteric acid |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OMe) | Flavan 4-ol | 4,5,7-Trihydroxy-4'-methoxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [Flavan 3,4-diol]-A(1OMe)-B(2OMe) | Flavan 3,4-diol | Fisetinidol-4beta-ol 7,3',4'-trimethyl ether |