ピーク情報
|
はつか大根 根
pos
|
| Peak #4858 MN MID: SE202_S11_M90 |
| m/z: 771.21374, RT: 43.32, 強度: 497928, ログ強度: 2.25, 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: (11 names) Isovitexin 2''-O-(6'''-feruloyl)glucoside;Petunidin 3-(4'''-p-coumarylrutinoside);Isorhamnetin 3-O-[4-Hydroxy-E-cinnamoyl-(->6)-b-D-glucopyranosyl-(1->2)-a-L-rhamnopyranoside];Isoscoparin 2''-(6-(E)-p... |
| DBごとのヒット数: ALL 11 KN 11 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.538 |
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 |
|---|---|---|---|---|
| C37H38O18 | 770.20581 | 0.838 | Petunidin 3-(4'''-p-coumarylrutinoside) | FlavonoidViewer: [1]FL7AAHGL0012 HMDB: [1]HMDB0301902 KNApSAcK: [1]C00006897 LipidMAPS: [1]LMPK12010359 |
| C37H38O18 | 770.20581 | 0.838 | Isovitexin 2''-O-(6'''-feruloyl)glucoside | FlavonoidViewer: FL3FAACS0082 HMDB: HMDB0038042 KNApSAcK: C00014082 LipidMAPS: LMPK12110272 |
| C37H38O18 | 770.20581 | 0.838 | Isorhamnetin 3-(6'''-p-coumaroylglucosyl)-(1->2)-rhamnoside | FlavonoidViewer: FL5FADGS0028 HMDB: HMDB0038252 KNApSAcK: C00013920 LipidMAPS: LMPK12112385 |
| C37H38O18 | 770.20581 | 0.838 | Isoscoparin 2''-(6-(E)-p-coumaroylglucoside) | FlavonoidViewer: FL3FADCS0015 HMDB: HMDB0037423 KNApSAcK: C00006334 LipidMAPS: LMPK12110752 |
| C37H38O18 | 770.20581 | 0.838 | Isovitexin 4'-O-glucoside 2''-O-(E)-ferulate | FlavonoidViewer: FL3FAADS0019 KNApSAcK: C00006332 LipidMAPS: LMPK12110304 |
| C37H38O18 | 770.20581 | 0.838 | Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside | FlavonoidViewer: FL3FAADS0045 HMDB: HMDB0301976 KNApSAcK: C00014078 LipidMAPS: LMPK12110328 |
| C37H38O18 | 770.20581 | 0.838 | Isorhamnetin 3-(4'''-p-coumarylrobinobioside) | FlavonoidViewer: FL5FADGA0024 KNApSAcK: C00006015 LipidMAPS: LMPK12112338 |
| C37H38O18 | 770.20581 | 0.838 | Pelargonidin 3-(6''-ferulylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AAAGL0030 KNApSAcK: [1]C00006769 LipidMAPS: [1]LMPK12010044 |
| C37H38O18 | 770.20581 | 0.838 | Peonidin 3-(6''-p-coumarylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AADGL0019 KNApSAcK: [1]C00006867 LipidMAPS: [1]LMPK12010250 |
| C37H38O18 | 770.20581 | 0.838 | Rhamnocitrin 3-(5'''-ferulylapiosyl)-(1->2)-glucoside | FlavonoidViewer: FL5FCAGL0009 KNApSAcK: C00005929 LipidMAPS: LMPK12112570 |
| C35H42O6N6S4 | 770.20487 | 2.068 | Dethio-tetra(methylthio)chetomin | KNApSAcK: C00024016 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 771.21045 |
| Splash: splash10-00di-0090000000-42f60f9d23eb2bc15083 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.06 | 243541 | 500 | 1000 |
| 272.07 | 30741 | 499 | 126 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 271.07169 |
| Splash: splash10-00di-0290000000-e3e6fa2aebcaf436dbd2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.15 | 6749 | -0 | 1000 |
| 197.05 | 836 | 74 | 123 |
| 215.12 | 740 | 56 | 109 |
| 120.95 | 609 | 150 | 90 |
| 243.13 | 609 | 28 | 90 |
| 172.91 | 599 | 98 | 88 |
| 225.14 | 576 | 46 | 85 |
| 272.18 | 410 | -1 | 60 |
| 253.08 | 406 | 18 | 60 |
| 187.07 | 393 | 84 | 58 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.538 | [Anthocyanidin]-A(2OH)-B(1OH) | Anthocyanidin | Pelargonidin |
| 0.500 | [Flavonol]-A(1OH)-B(1OH) | Flavonol | Resokaempferol |
| 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 |
| 0.400 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 3'-Hydroxydaidzein |
| 0.400 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 2'-Hydroxydaidzein |
| 0.368 | [Flavonol]-A(2OH)-B(none) | Flavonol | Galangin |
| 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 |
| 0.286 | [Isoflavanone]-A(1OH)-B(1OMe) | Isoflavanone | Dihydroformononetin |
| 0.250 | [Chalcone]-A(1OH)-B(1OH, 1OMe) | Chalcone | Echinatin |
| 0.250 | [Flavanone]-A(1OMe)-B(1OH) | Flavanone | Methyl-liquiritigenin |
| 0.200 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Isoliquiritigenin 4'-methyl ether |
| 0.200 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4-methyl ether |
| 0.200 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | 2',5'-Dihydroxy-4-methoxychalcone |
| 0.200 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Flemichapparin |
| 0.200 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Larrein |
| 0.200 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Cardamonin |
| 0.200 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',6'-Dihydroxy-4'-methoxychalcone |
| 0.176 | [Chalcone]-A(1OH, 1OMe)-B(1OH) | Chalcone | Isoliquiritigenin 2'-methy ether |
| 0.176 | [Flavanone]-A(1OH)-B(1OMe) | Flavanone | 4'-Methylliquiritigenin |
| 0.176 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | 7-Hydroxy-8-methoxyflavanone |
| 0.176 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Alpinetin |
| 0.176 | [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 |