ピーク情報
|
イチョウ 葉
pos
|
| Peak #4609 MN MID: SE205_S01_M90 |
| m/z: 773.19492, RT: 46.27, 強度: 103689, ログ強度: 1.47, 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: (14 names) Kaempferol 3-(6'''-caffeylglucosyl)-(1->2)-galactoside;Isoorientin 4'-O-glucoside-2''-O-(E)-caffeate;Cyanidin 3-glucoside 5-caffeoylglucoside;Luteolin 7-glucosyl-(1->6)-(4'''-caffeoylglucoside);Awoban... |
| DBごとのヒット数: ALL 13 KG 2 KN 11 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.182 |
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 |
|---|---|---|---|---|
| C36H36O19 | 772.18508 | 3.322 | Kaempferol 3-(6'''-caffeylglucosyl)-(1->2)-galactoside | FlavonoidViewer: FL5FAAGA0032 KNApSAcK: C00005875 LipidMAPS: LMPK12111693 |
| C36H36O19 | 772.18508 | 3.322 | Isoorientin 4'-O-glucoside-2''-O-(E)-caffeate | FlavonoidViewer: FL3FACDS0017 KNApSAcK: C00006330 LipidMAPS: LMPK12110550 |
| C36H36O19 | 772.18508 | 3.322 | Gentiocyanin A | FlavonoidViewer: [1]FL7AACGL0051 KEGG: [1]C16372 KNApSAcK: [1]C00006822 LipidMAPS: [1]LMPK12010160 |
| C36H36O19 | 772.18508 | 3.322 | Awobanin | FlavonoidViewer: [1]FL7AAGGL0021 HMDB: [1]HMDB0038000 KNApSAcK: [1]C00006884 LipidMAPS: [1]LMPK12010297 |
| C36H36O19 | 772.18508 | 3.322 | Luteolin 7-glucosyl-(1->6)-(4'''-caffeoylglucoside) | FlavonoidViewer: FL3FACGS0082 KNApSAcK: C00013667 LipidMAPS: LMPK12110716 |
| C36H36O19 | 772.18508 | 3.322 | Cyanidin 3-(2-glucosyl-6-caffeoylglucoside) | FlavonoidViewer: [1]FL7AACGL0104 KNApSAcK: [1]C00014760 LipidMAPS: [1]LMPK12010213 |
| C36H36O19 | 772.18508 | 3.322 | Implexaflavone | KNApSAcK: C00050122 |
| C36H36O19 | 772.18508 | 3.322 | 6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside) | FlavonoidViewer: FL3FECGS0021 KNApSAcK: C00004396 LipidMAPS: LMPK12111194 |
| C36H36O19 | 772.18508 | 3.322 | Kaempferol 3-caffeylsophoroside | FlavonoidViewer: FL5FAAGL0080 KNApSAcK: C00005881 LipidMAPS: LMPK12111802 |
| C36H36O19 | 772.18508 | 3.322 | Cyanidin 3-glucoside-3'-(6''-caffeylglucoside) | FlavonoidViewer: [1]FL7AACGL0058 KNApSAcK: [1]C00006829 LipidMAPS: [1]LMPK12010167 |
| C36H36O19 | 772.18508 | 3.322 | Cyanidin 3-(6''-caffeylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AACGL0050 HMDB: [1]HMDB0037983 KNApSAcK: [1]C00006821 LipidMAPS: [1]LMPK12010159 |
| C36H36O19 | 772.18508 | 3.322 | Delphinidin 3-glucoside-5-(6-(E)-p-coumaroylglucoside) | FlavonoidViewer: [1]FL7AAGGA0007, [1]FL7AAGGL0069 KEGG: [1]C16351 KNApSAcK: [1]C00006881, [1]C00014820 LipidMAPS: [1]LMPK12010266, [1]LMPK12010345 |
| C36H36O19 | 772.18508 | 3.322 | Quercetin 3-O-beta-(6''-O-E-p-coumaroylglucoside)-7-O-beta-glucoside | FlavonoidViewer: FL5FACGL0078 KNApSAcK: C00011129 LipidMAPS: LMPK12112163 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 773.19592 |
| Splash: splash10-066r-0003901200-161bab0334f78e68644e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 465.16 | 9766 | 308 | 1000 |
| 361.22 | 2829 | 412 | 289 |
| 755.18 | 2343 | 18 | 239 |
| 447.16 | 1844 | 326 | 188 |
| 429.12 | 1756 | 344 | 179 |
| 611.18 | 1489 | 162 | 152 |
| 457.30 | 1385 | 316 | 141 |
| 309.11 | 1272 | 464 | 130 |
| 507.08 | 1025 | 266 | 104 |
| 456.26 | 889 | 317 | 91 |
| 737.17 | 872 | 36 | 89 |
| 668.97 | 826 | 104 | 84 |
| 593.28 | 718 | 180 | 73 |
| 754.34 | 682 | 19 | 69 |
| 489.23 | 657 | 284 | 67 |
| 651.08 | 615 | 122 | 63 |
| 427.42 | 577 | 346 | 59 |
| 385.27 | 547 | 388 | 56 |
| 331.11 | 544 | 442 | 55 |
| 319.20 | 544 | 454 | 55 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 465.23132 |
| Splash: splash10-01ot-0008900000-d214749e4ee4b0529ecc |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 447.24 | 1710 | 18 | 1000 |
| 361.19 | 1299 | 104 | 759 |
| 429.29 | 822 | 36 | 480 |
| 385.10 | 351 | 80 | 205 |
| 343.17 | 261 | 122 | 152 |
| 319.12 | 215 | 146 | 125 |
| 331.19 | 207 | 134 | 121 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.182 | [Flavone]-A(2OH, 1(C-Glu))-B(3OH) | Flavone | Isoaffinetin |
| 0.182 | [Flavone]-A(2OH, 1(C-Glu))-B(3OH) | Flavone | Tricetin 8-C-glucopyranoside |
| 0.182 | [Flavone]-A(2OH, 1(C-Glu))-B(3OH) | Flavone | 6-C-beta-D-Glucopyranosylisoetin |
| 0.182 | [Flavonol]-A(2OH, 1(C-Glu))-B(2OH) | Flavonol | 6-C-Glucosylquercetin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavanone | Dihydroscoparin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Glu))-B(1OH) | Dihydroflavonol | Keyakinol |
| 0.000 | [Flavonol]-A(2OH, 1(C-Glu))-B(2OH) | Flavonol | 8-C-Glucosylquercetin |
| 0.000 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Euchrenone b4 |
| Level: 3, プリカーサーm/z: 361.14508 |
| Splash: splash10-00ko-0269000000-f0273dc2beb648cb3515 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 343.15 | 180 | 18 | 1000 |
| 287.06 | 158 | 74 | 878 |
| 315.23 | 146 | 46 | 815 |
| 195.11 | 55 | 166 | 307 |
| 296.98 | 41 | 64 | 226 |
| 240.93 | 28 | 120 | 154 |
| 331.98 | 18 | 29 | 99 |
| 161.10 | 16 | 200 | 89 |
| 269.17 | 12 | 92 | 69 |
| 178.80 | 11 | 182 | 63 |
| 204.99 | 11 | 156 | 61 |
| 152.77 | 11 | 208 | 60 |
| 305.16 | 10 | 56 | 57 |
| 281.20 | 9 | 80 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.304 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Myricetin 7,3',4'-trimethyl ether |
| 0.250 | [Flavonol]-A(2OH)-B(3OMe) | Flavonol | 3,5,7-Trihydroxy-2',4',5'-trimethoxyflavone |
| 0.200 | [Flavonol]-A(2OH, 1OMe)-B(2OMe) | Flavonol | Quercetagetin 6,3',4'-trimethyl ether |
| 0.200 | [Flavonol]-A(2OH, 1OMe)-B(2OMe) | Flavonol | Quercetagetin 7,3',4'-trimethyl ether |
| 0.200 | [Flavonol]-A(2OH, 1OMe)-B(2OMe) | Flavonol | 3,5,8-Trihydroxy-7,2',3'-trimethoxyflavone |
| 0.200 | [Flavonol]-A(2OH, 1OMe)-B(2OMe) | Flavonol | Gossypetin 8,3',4'-trimethyl ether |
| 0.172 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 2OMe) | Isoflavone | 5,7,4'-Trihydroxy-6,3',5'-trimethoxyisoflavone |
| 0.172 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 2OMe) | Isoflavone | Irigenin |
| 0.154 | [Flavonol]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavonol | Veronicafolin |
| 0.154 | [Flavonol]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavonol | Eupatin |
| 0.154 | [Flavonol]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 3,5,2'-Trihydroxy-7,8,4'-trimethoxyflavone |
| 0.154 | [Flavonol]-A(1OH, 3OMe)-B(1OH) | Flavonol | 3,5,4'-Trihydroxy-6,7,8-trimethoxyflavone |
| 0.136 | [Chalcone]-A(1OH, 4OMe)-B(1OH) | Chalcone | 4,3'-Hydroxy-2',4',5',6'-methoxychalcone |
| 0.095 | [2'-Hydroxychalcone]-A(2OH, 3OMe)-B(1OMe) | 2'-Hydroxychalcone | 2',5'-Dihydroxy-4,3',4',6'-tetramethoxychalcone |
| 0.087 | [Flavanone]-A(1OH, 3OMe)-B(1OMe) | Flavanone | 5-Hydroxy-6,7,8,4'-tetramethoxyflavanone |
| 0.087 | [Flavanone]-A(1OH, 1OMe)-B(3OMe) | Flavanone | 5-Hydroxy-7,3',4',5'-tetramethoxyflavanone |
| 0.087 | [Flavanone]-A(1OH, 1OMe)-B(3OMe) | Flavanone | Heteroflavanone A |
| 0.053 | [Pterocarpan]-A(2OMe)-B(1OH, 2OMe) | Pterocarpan | 8-Hydroxy-3,4,9,10-tetramethoxypterocarpan |
| 0.042 | [Flavanone]-A(1OH, 2OMe)-B(2OMe) | Flavanone | Agestricin C |
| 0.042 | [Flavanone]-A(1OH, 2OMe)-B(2OMe) | Flavanone | 5-Hydroxy-6,7,3',4'-tetramethoxyflavanone |
| 0.042 | [Flavanone]-A(3OMe)-B(1OH, 1OMe) | Flavanone | Agecorynin E |
| 0.000 | [Flavone]-A(2OH)-B(1OH, 3OMe) | Flavone | 5,7,3'-Trihydroxy-2',4',5'-trimethoxyflavone |
| 0.000 | [Flavone]-A(2OH)-B(1OH, 3OMe) | Flavone | 5,7,4'-Trihydroxy-2',3',5'-trimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavone | 5,7,4'-Trihydroxy-6,3',5'-trimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavone | 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,3',4'-Trihydroxy-6,7,5'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavone | Arcapillin |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavone | 5,7,3'-Trihydroxy-8,4',5'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(2OH) | Flavone | 5,2',5'-Trihydroxy-6,7,8-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(2OH) | Flavone | 5,2',6'-Trihydroxy-6,7,8-trimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavone | 5,6,2'-Trihydroxy-7,8,6'-trimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavone | Sudachitin |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavone | Acerosin |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavone | Isothymonin |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(2OH) | Flavone | Sideritiflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavone | 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavone | 5,7,3'-Trihydroxy-6,8,4'-trimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavone | Thymonin |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(2OH) | Flavone | Tamadone |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 1(2,3-Dihydroxy-3-methylbutyl)) | Dihydrochalcone | Brosimacutin H |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(2OH, 1(2,3-Dihydroxy-3-methylbutyl)) | Dihydrochalcone | Brosimacutin I |
| 0.000 | [Flavanone]-A(2OH, 2Methyl)-B(1OH, 2OMe) | Flavanone | 5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavanone | Agamanone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe)-C(1(O-Acetyl)) | Dihydroflavonol | Dihydroisorhamnetin 3-O-acetate |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH)-C(1(O-Acetyl)) | Dihydroflavonol | Padmatin 3-O-acetate |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)-C(1(O-Acetyl)) | Dihydroflavonol | 6-Methoxyaromadendrin 3-O-acetate |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)-C(1(O-Acetyl)) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-O-acetate |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH, 2OMe) | Flavonol | Myricetin 3,3',4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH, 2OMe) | Flavonol | Myricetin 3,3',5'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 7,4',5'-Trihydroxy-3,5,3'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Myricetin 3,7,3'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Myricetin 3,7,4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH, 1OMe) | Flavonol | 6-C-Methylmyricetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol]-A(2OH, 2Methyl)-B(2OH, 1OMe) | Flavonol | 6,8-Di-C-methylmyricetin 4'-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(3OH) | Flavonol | 6,8-Di-C-methylmyricetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Oxyayanin A |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Chrysosplenol F |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Apuleidin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH) | Flavonol | 5,2',3'-Trihydroxy-3,6,7-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Jaceidin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Chrysosplenol C |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Centaureidin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH) | Flavonol | Quercetagetin 3,5,7-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,6,3'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,6,4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH) | Flavonol | Chrysosplenol D |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,7,3'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Oxyayanin-B |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH) | Flavonol | 5,2',3'-Trihydroxy-3,7,8-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | 5,7,2'-Trihydroxy-3,6,4'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH) | Flavonol | 5,2',5'-Trihydroxy-3,7,8-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,7,3'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH) | Flavonol | Gossypetin 3,7,8-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,8,3'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH, 1OMe)-B(1OMe) | Flavonol | 5,7,8-Trihydroxy-3,6,4'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH) | Flavonol | 5,8,4'-Trihydroxy-3,6,7-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH) | Flavonol | Sarothrin |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(6-Hydroxy-4-methyldihydropyrano)))-B(2OH) | Flavan 3-ol | Pyranochromene |
| 0.000 | [CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan]-A(2OH)-B(2OH, 1OMe) | CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan | Elaeocyanidin |
| 0.000 | [Flavan 3,4-diol (3,4-OMe)]-A(1OMe)-B(2OMe) | Flavan 3,4-diol | Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(2OMe)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Abruquinone A |