ピーク情報
|
はつか大根 根
pos
|
| Peak #4779 MN MID: SE202_S11_M90 |
| m/z: 801.22559, RT: 42.97, 強度: 60504, ログ強度: 1.34, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4 |
| DB検索結果: (10 names) Malvidin 3-(6-coumaroylglucoside) 5-glucoside;Malvidin 3-O-(6-O-(4-O-caffeoyl-alpha-rhamnopyranosyl)-beta-glucopyranoside);Isoscoparin 2''-(6-(E)-ferulylglucoside);6'''-O-Sinapoylsaponarin;Isorhamneti... |
| DBごとのヒット数: ALL 6 KN 5 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.500 |
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 |
|---|---|---|---|---|
| C38H40O19 | 800.21638 | 2.412 | Tibouchinin | FlavonoidViewer: [1]FL7AAIGL0019, [1]FL7AAIGL0031 HMDB: [1]HMDB0038011 KNApSAcK: [1]C00006910, [1]C00011081 LipidMAPS: [1]LMPK12010390, [1]LMPK12010402 |
| C38H40O19 | 800.21638 | 2.412 | Malvidin 3-O-(6-O-(4-O-caffeoyl-alpha-rhamnopyranosyl)-beta-glucopyranoside) | FlavonoidViewer: [1]FL7AAIGL0037 KNApSAcK: [1]C00014828 LipidMAPS: [1]LMPK12010408 |
| C38H40O19 | 800.21638 | 2.412 | Isoscoparin 2''-(6-(E)-ferulylglucoside) | FlavonoidViewer: FL3FADCS0016 HMDB: HMDB0038454 KNApSAcK: C00006336 LipidMAPS: LMPK12110753 |
| C38H40O19 | 800.21638 | 2.412 | 6'''-O-Sinapoylsaponarin | HMDB: HMDB0035005 |
| C38H40O19 | 800.21638 | 2.412 | Isorhamnetin 3-(3'''-ferulylrobinobioside) | FlavonoidViewer: FL5FADGA0025 KNApSAcK: C00006016 LipidMAPS: LMPK12112339 |
| C38H40O19 | 800.21638 | 2.412 | Germanaism G | KNApSAcK: C00019314 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 801.22412 |
| Splash: splash10-00di-0090000000-aa0ea2c37ff76ab9b56c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.10 | 52201 | 530 | 1000 |
| 272.07 | 5143 | 529 | 98 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 271.04163 |
| Splash: splash10-00di-0390000000-c7bba6e7f6175af4d1f8 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.16 | 1620 | -0 | 1000 |
| 243.00 | 224 | 28 | 138 |
| 197.04 | 213 | 74 | 131 |
| 173.12 | 201 | 98 | 124 |
| 225.00 | 193 | 46 | 119 |
| 145.06 | 183 | 126 | 113 |
| 214.97 | 149 | 56 | 91 |
| 252.98 | 144 | 18 | 89 |
| 120.83 | 106 | 150 | 65 |
| 148.95 | 95 | 122 | 58 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.500 | [Flavonol]-A(1OH)-B(1OH) | Flavonol | Resokaempferol |
| 0.429 | [Anthocyanidin]-A(2OH)-B(1OH) | Anthocyanidin | Pelargonidin |
| 0.429 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,8,2'-Trihydroxyflavone |
| 0.429 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,7,2'-Trihydroxyflavone |
| 0.429 | [Flavone]-A(2OH)-B(1OH) | Flavone | Apigenin |
| 0.400 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Demethyltexasin |
| 0.400 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 8-Hydroxydaidzein |
| 0.400 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,2'-Trihydroxyisoflavone |
| 0.400 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,3'-Trihydroxyisoflavone |
| 0.400 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Genistein |
| 0.333 | [Flavone]-A(3OH)-B(none) | Flavone | Baicalein |
| 0.333 | [Flavone]-A(3OH)-B(none) | Flavone | Norwogonin |
| 0.333 | [Flavone]-A(1OH)-B(2OH) | Flavone | 7,3',4'-Trihydroxyflavone |
| 0.333 | [Flavone]-A(1OH)-B(2OH) | Flavone | 5,2',5'-Trihydroxyflavone |
| 0.313 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 3'-Hydroxydaidzein |
| 0.313 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 2'-Hydroxydaidzein |
| 0.300 | [Flavonol]-A(2OH)-B(none) | Flavonol | Galangin |
| 0.286 | [Isoflavanone]-A(1OH)-B(1OMe) | Isoflavanone | Dihydroformononetin |
| 0.250 | [Chalcone]-A(1OH)-B(1OH, 1OMe) | Chalcone | Echinatin |
| 0.176 | [Chalcone]-A(1OH, 1OMe)-B(1OH) | Chalcone | Isoliquiritigenin 2'-methy ether |
| 0.176 | [Flavanone]-A(1OMe)-B(1OH) | Flavanone | Methyl-liquiritigenin |
| 0.125 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Isoliquiritigenin 4'-methyl ether |
| 0.125 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4-methyl ether |
| 0.125 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | 2',5'-Dihydroxy-4-methoxychalcone |
| 0.125 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Flemichapparin |
| 0.125 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Larrein |
| 0.125 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Cardamonin |
| 0.125 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',6'-Dihydroxy-4'-methoxychalcone |
| 0.111 | [Flavanone]-A(1OH)-B(1OMe) | Flavanone | 4'-Methylliquiritigenin |
| 0.111 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | 7-Hydroxy-8-methoxyflavanone |
| 0.111 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Alpinetin |
| 0.111 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Pinostrobin |
| 0.071 | [Pterocarpan]-A(1OH)-B(1OMe) | Pterocarpan | Medicarpin |
| 0.071 | [Pterocarpan]-A(1OMe)-B(1OH) | Pterocarpan | Isomedicarpin |
| 0.000 | [Aurone]-A(1OH)-B(2OH) | Aurone | Sulfuretin |
| 0.000 | [Aurone]-A(2OH)-B(1OH) | Aurone | 4,6,4'-Trihydroxyaurone |
| 0.000 | [UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone (alpha-OMe)]-A(1OMe)-B(none) | UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone | Methyllucidone |
| 0.000 | [UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone]-A(3Methyl)-B(none) | UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone | 4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(none) | Flavanone | Strobopinin |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(none) | Flavanone | Cryptostrobin |
| 0.000 | [Flavan]-A(1OMe, 1Methyl)-B(1OH) | Flavan | 4'-Hydroxy-7-methoxy-8-methylflavan |
| 0.000 | [Flavan]-A(1OH)-B(1([@@]-Methylenedioxy)) | Flavan | 7-Hydroxy-3',4'-methylenedioxyflavan |
| 0.000 | [Flavan]-A(2OMe)-B(none) | Flavan | Tephrowatsin E |
| 0.000 | [Flavan]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavan | 7-Hydroxy-5-methoxy-6-methylflavan |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH)-B(2OH) | 3-DehydroxyAnthocyanidin | Luteolinidin |
| 0.000 | [isoflavene]-A(1OH)-B(1OH, 1OMe) | isoflavene | Haginin B |
| 0.000 | [2-Phenylbenzofuran]-A(1OMe)-B(1OH, 1OMe) | 2-Phenylbenzofuran | Vignafuran |
| 0.000 | [2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(2OH) | 2-Phenylbenzofuran | 2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran |
| 0.000 | [Dalbergiquinol]-A(1OH, 2OMe)-B(none) | Dalbergiquinol | 5-Hydroxy-2,4-dimethoxydalbergiquinol |
| 0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OH) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 4'-Hydroxy-4-methoxydalbergione |