ピーク情報
|
イネ 玄米 コシヒカリ
pos
|
| Peak #3643 MN MID: SE199_S11_M90 |
| m/z: 771.21490, RT: 49.40, 強度: 9139, ログ強度: 0.53, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 8 |
| 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: 0.188 |
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 | 2.355 | Petunidin 3-(4'''-p-coumarylrutinoside) | FlavonoidViewer: [1]FL7AAHGL0012 HMDB: [1]HMDB0301902 KNApSAcK: [1]C00006897 LipidMAPS: [1]LMPK12010359 |
| C37H38O18 | 770.20581 | 2.355 | Isovitexin 2''-O-(6'''-feruloyl)glucoside | FlavonoidViewer: FL3FAACS0082 HMDB: HMDB0038042 KNApSAcK: C00014082 LipidMAPS: LMPK12110272 |
| C37H38O18 | 770.20581 | 2.355 | Isorhamnetin 3-(6'''-p-coumaroylglucosyl)-(1->2)-rhamnoside | FlavonoidViewer: FL5FADGS0028 HMDB: HMDB0038252 KNApSAcK: C00013920 LipidMAPS: LMPK12112385 |
| C37H38O18 | 770.20581 | 2.355 | Isoscoparin 2''-(6-(E)-p-coumaroylglucoside) | FlavonoidViewer: FL3FADCS0015 HMDB: HMDB0037423 KNApSAcK: C00006334 LipidMAPS: LMPK12110752 |
| C37H38O18 | 770.20581 | 2.355 | Isovitexin 4'-O-glucoside 2''-O-(E)-ferulate | FlavonoidViewer: FL3FAADS0019 KNApSAcK: C00006332 LipidMAPS: LMPK12110304 |
| C37H38O18 | 770.20581 | 2.355 | Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside | FlavonoidViewer: FL3FAADS0045 HMDB: HMDB0301976 KNApSAcK: C00014078 LipidMAPS: LMPK12110328 |
| C37H38O18 | 770.20581 | 2.355 | Isorhamnetin 3-(4'''-p-coumarylrobinobioside) | FlavonoidViewer: FL5FADGA0024 KNApSAcK: C00006015 LipidMAPS: LMPK12112338 |
| C37H38O18 | 770.20581 | 2.355 | Pelargonidin 3-(6''-ferulylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AAAGL0030 KNApSAcK: [1]C00006769 LipidMAPS: [1]LMPK12010044 |
| C37H38O18 | 770.20581 | 2.355 | Peonidin 3-(6''-p-coumarylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AADGL0019 KNApSAcK: [1]C00006867 LipidMAPS: [1]LMPK12010250 |
| C37H38O18 | 770.20581 | 2.355 | Rhamnocitrin 3-(5'''-ferulylapiosyl)-(1->2)-glucoside | FlavonoidViewer: FL5FCAGL0009 KNApSAcK: C00005929 LipidMAPS: LMPK12112570 |
| C35H42O6N6S4 | 770.20487 | 3.585 | Dethio-tetra(methylthio)chetomin | KNApSAcK: C00024016 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 771.21368 |
| Splash: splash10-00di-0090300000-92cf4fe56d8f341ebfd8 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.05 | 2790 | 500 | 1000 |
| 433.16 | 988 | 338 | 354 |
| 609.06 | 221 | 162 | 79 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 433.15472 |
| Splash: splash10-00di-0090000000-50e1de009c371ff0a724 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.08 | 1093 | 162 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(3OMe)-B(4OMe) | Flavone | Agehoustin B |
| 0.000 | [Flavone]-A(4OMe)-B(3OMe) | Flavone | 5,6,7,8,3',4',5'-Heptamethoxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(3OMe) | Flavone | Agecorynin C |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Neovitexin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Vitexin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Isovitexin |
| 0.000 | [Flavonol]-A(1OH, 1(C-Glu))-B(1OH) | Flavonol | 8-C-Glucosylresokaempferol |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Glu))-B(2OH) | Isoflavone | 8-Glucosyl 3'-hydroxydaidzein |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Glu))-B(1OH) | Isoflavone | Genistein 8-C-glucoside |
| 0.000 | [Chalcone]-A(2OMe, 1([@@]-Methylenedioxy))-B(4OMe) | Chalcone | 2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(1OMe) | Flavanone | Calomelanol G |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(1OH) | Flavone | 8-C-beta-D-Galactopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(1OH) | Flavone | 6-C-beta-D-Galactosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Chinovosyl))-B(2OH) | Flavone | 6-C-Chinovopyranosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Fucosyl))-B(2OH) | Flavone | 6-C-Fucopyranosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Rhamnosyl))-B(2OH) | Flavone | 8-C-Rhamnopyranosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH, 1OMe) | Flavone | 5,7,4'-Trihydroxy-3'-methoxyflavone-8-C-beta-D-xylopyranoside |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Artocommunol CA |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(3OMe) | Flavonol | 3,5,6,7,3',4',5'-Heptamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(3OMe) | Flavonol | Benthamitin |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(3OMe) | Flavonol | Hibiscetin heptamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(2OMe) | Flavonol | 3,5,6,7,8,3',4'-Heptamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OH, 2OMe) | Flavonol | 3'-Hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone |
| Level: 3, プリカーサーm/z: 271.15012 |
| Splash: splash10-0fmi-0590000000-2e912b30c4ffe2ef7161 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.24 | 43 | -0 | 1000 |
| 153.07 | 32 | 118 | 744 |
| 225.16 | 14 | 46 | 317 |
| 229.18 | 12 | 42 | 280 |
| 203.06 | 10 | 68 | 233 |
| 145.22 | 6 | 126 | 148 |
| 161.07 | 5 | 110 | 117 |
| 119.01 | 5 | 152 | 106 |
| 211.09 | 4 | 60 | 103 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.188 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,8,2'-Trihydroxyflavone |
| 0.188 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,7,2'-Trihydroxyflavone |
| 0.188 | [Flavone]-A(2OH)-B(1OH) | Flavone | Apigenin |
| 0.176 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Demethyltexasin |
| 0.176 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 8-Hydroxydaidzein |
| 0.176 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,2'-Trihydroxyisoflavone |
| 0.176 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,3'-Trihydroxyisoflavone |
| 0.176 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Genistein |
| 0.136 | [Flavonol]-A(2OH)-B(none) | Flavonol | Galangin |
| 0.133 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4-methyl ether |
| 0.133 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | 2',5'-Dihydroxy-4-methoxychalcone |
| 0.118 | [Flavone]-A(3OH)-B(none) | Flavone | Baicalein |
| 0.118 | [Flavone]-A(3OH)-B(none) | Flavone | Norwogonin |
| 0.118 | [Flavone]-A(1OH)-B(2OH) | Flavone | 7,3',4'-Trihydroxyflavone |
| 0.118 | [Flavone]-A(1OH)-B(2OH) | Flavone | 5,2',5'-Trihydroxyflavone |
| 0.118 | [Flavanone]-A(1OH)-B(1OMe) | Flavanone | 4'-Methylliquiritigenin |
| 0.118 | [Flavanone]-A(1OMe)-B(1OH) | Flavanone | Methyl-liquiritigenin |
| 0.111 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 3'-Hydroxydaidzein |
| 0.111 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 2'-Hydroxydaidzein |
| 0.083 | [Flavonol]-A(1OH)-B(1OH) | Flavonol | Resokaempferol |
| 0.077 | [Pterocarpan]-A(1OH)-B(1OMe) | Pterocarpan | Medicarpin |
| 0.077 | [Pterocarpan]-A(1OMe)-B(1OH) | Pterocarpan | Isomedicarpin |
| 0.063 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Isoliquiritigenin 4'-methyl ether |
| 0.063 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Flemichapparin |
| 0.063 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Larrein |
| 0.063 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Cardamonin |
| 0.063 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',6'-Dihydroxy-4'-methoxychalcone |
| 0.063 | [Isoflavanone]-A(1OH)-B(1OMe) | Isoflavanone | Dihydroformononetin |
| 0.056 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | 7-Hydroxy-8-methoxyflavanone |
| 0.056 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Alpinetin |
| 0.056 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Pinostrobin |
| 0.056 | [Chalcone]-A(1OH)-B(1OH, 1OMe) | Chalcone | Echinatin |
| 0.056 | [Chalcone]-A(1OH, 1OMe)-B(1OH) | Chalcone | Isoliquiritigenin 2'-methy ether |
| 0.056 | [Anthocyanidin]-A(2OH)-B(1OH) | Anthocyanidin | Pelargonidin |
| 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 |