ピーク情報
|
イネ 葉 コシヒカリ
pos
|
| Peak #3146 MN MID: SE199_S31_M90 |
| m/z: 757.19954, RT: 42.01, 強度: 35288, ログ強度: 0.99, 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: (21 names) Variabiloside E;Kaempferol 3-(6''-p-coumarylglucoside)-7-glucoside;3-O-[2-O-(E)-p-coumaroyl-beta-D-galactopyranosyl]-7-O-beta-D-glucopyranosylkaempferol;Pelargonidin 3-glucoside 5-caffeoylglucoside;Bi... |
| DBごとのヒット数: ALL 20 KG 4 KN 15 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 1.000 |
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 |
|---|---|---|---|---|
| C36H36O18 | 756.19016 | 2.771 | Variabiloside E | FlavonoidViewer: FL5FACGA0038, FL5FACGA0039 KNApSAcK: C00005973, C00005974 LipidMAPS: LMPK12112078, LMPK12112079 |
| C36H36O18 | 756.19016 | 2.771 | Kaempferol 3-(6''-p-coumarylglucoside)-7-glucoside | FlavonoidViewer: FL5FAAGL0086 KNApSAcK: C00005892 LipidMAPS: LMPK12111808 |
| C36H36O18 | 756.19016 | 2.771 | 3-O-[2-O-(E)-p-coumaroyl-beta-D-galactopyranosyl]-7-O-beta-D-glucopyranosylkaempferol | KNApSAcK: C00019440 |
| C36H36O18 | 756.19016 | 2.771 | Pelargonidin 3-glucoside 5-caffeoylglucoside | HMDB: HMDB0304453 KEGG: [1]C16371 |
| C36H36O18 | 756.19016 | 2.771 | Bisdemalonylsalvianin | FlavonoidViewer: [1]FL7AAAGL0028 KEGG: [1]C12640 KNApSAcK: [1]C00006767 LipidMAPS: [1]LMPK12010042 |
| C36H36O18 | 756.19016 | 2.771 | Perillanin | FlavonoidViewer: [1]FL7AACGL0048 HMDB: [1]HMDB0030581 KEGG: [1]C12096 KNApSAcK: [1]C00006819 LipidMAPS: [1]LMPK12010157 |
| C36H36O18 | 756.19016 | 2.771 | Isovitexin 7-O-(6'''-caffeoyl)-beta-D-glucopyranoside | FlavonoidViewer: FL3FAADS0043 KNApSAcK: C00014076 LipidMAPS: LMPK12110326 |
| C36H36O18 | 756.19016 | 2.771 | Pelargonidin 3-[2''-(2'''-trans-caffeoyl-beta-D-glucopyranosyl)-beta-D-galactopyranoside] | FlavonoidViewer: [1]FL7AAAGA0006 KNApSAcK: [1]C00011076 LipidMAPS: [1]LMPK12010012 |
| C36H36O18 | 756.19016 | 2.771 | Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside | FlavonoidViewer: FL5FAAGS0116 KNApSAcK: C00013783 LipidMAPS: LMPK12111951 |
| C36H36O18 | 756.19016 | 2.771 | Kaempferol 3-(6''-p-coumarylglucoside)-4'-glucoside | FlavonoidViewer: FL5FAAGL0091 HMDB: HMDB0037437 KNApSAcK: C00005899 LipidMAPS: LMPK12111813 |
| C36H36O18 | 756.19016 | 2.771 | Cyanidin 3-(4'''-caffeylrutinoside) | FlavonoidViewer: [1]FL7AACGL0042 KNApSAcK: [1]C00006812 LipidMAPS: [1]LMPK12010151 |
| C36H36O18 | 756.19016 | 2.771 | Kaempferol 3-glucoside-7-p-coumarylglucoside | FlavonoidViewer: FL5FAAGL0087 KNApSAcK: C00005893 LipidMAPS: LMPK12111809 |
| C36H36O18 | 756.19016 | 2.771 | Pelargonidin 3-[6-(3-glucosylcaffeyl) glucoside] | FlavonoidViewer: [1]FL7AAAGL0019 KNApSAcK: [1]C00006758 LipidMAPS: [1]LMPK12010033 |
| C36H36O18 | 756.19016 | 2.771 | Isoorientin 2''-[p-coumaroyl-(->6)-glucoside] | HMDB: HMDB0032910 |
| C36H36O18 | 756.19016 | 2.771 | Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside | FlavonoidViewer: FL5FACGS0054 HMDB: HMDB0039332 KNApSAcK: C00005978 LipidMAPS: LMPK12112219 |
| C36H36O18 | 756.19016 | 2.771 | Quercetin 3-(2G-(E)-p-coumaroylrutinoside) | FlavonoidViewer: FL5FACGS0102 KNApSAcK: C00013874 LipidMAPS: LMPK12110572 |
| C36H36O18 | 756.19016 | 2.771 | Cyanidin 3-(6''-p-coumarylsophoroside) | FlavonoidViewer: [1]FL7AACGL0035, [1]FL7AACGL0107 KNApSAcK: [1]C00006805, [1]C00014763 LipidMAPS: [1]LMPK12010144, [1]LMPK12010216 |
| C36H36O18 | 756.19016 | 2.771 | Cyanidin 3-galactoside-5-(6-p-coumarylglucoside) | FlavonoidViewer: [1]FL7AACGA0007, [1]FL7AACGL0049 KEGG: [1]C16350 KNApSAcK: [1]C00006813, [1]C00006820 LipidMAPS: [1]LMPK12010101, [1]LMPK12010158 |
| C36H36O18 | 756.19016 | 2.771 | Orientin 2''-O-xyloside-6''-ferulate | FlavonoidViewer: FL3FACCS0045 KNApSAcK: C00006412 LipidMAPS: LMPK12110513 |
| C36H36O18 | 756.19016 | 2.771 | Kaempferol 3-(2''-caffeylglucoside)-7-rhamnoside | FlavonoidViewer: FL5FAAGL0089 KNApSAcK: C00005895 LipidMAPS: LMPK12111811 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 757.19720 |
| Splash: splash10-0002-0016900000-54dbc69e3f9f15bce5c7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 449.09 | 202701 | 308 | 1000 |
| 431.17 | 88639 | 326 | 437 |
| 329.11 | 77652 | 428 | 383 |
| 353.18 | 49554 | 404 | 244 |
| 383.08 | 46451 | 374 | 229 |
| 299.04 | 34928 | 458 | 172 |
| 395.22 | 33533 | 362 | 165 |
| 413.12 | 31119 | 344 | 153 |
| 739.12 | 22704 | 18 | 112 |
| 595.13 | 20434 | 162 | 100 |
| 611.22 | 15940 | 146 | 78 |
| 287.04 | 12146 | 470 | 59 |
| 377.22 | 11224 | 380 | 55 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 449.12415 |
| Splash: splash10-001i-0007900000-763f1411f18dee6fc166 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 431.22 | 25521 | 18 | 1000 |
| 383.10 | 10664 | 66 | 417 |
| 329.12 | 6215 | 120 | 243 |
| 413.21 | 5463 | 36 | 214 |
| 353.16 | 4965 | 96 | 194 |
| 395.09 | 3852 | 54 | 150 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 1.000 | [Flavone]-A(2OH, 1(C-Glu))-B(2OH) | Flavone | Isoorientin |
| 1.000 | [Flavone]-A(2OH, 1(C-Glu))-B(2OH) | Flavone | Orientin |
| 1.000 | [Flavonol]-A(1OH, 1(C-Glu))-B(2OH) | Flavonol | Fisetin 8-C-glucoside |
| 1.000 | [Flavonol]-A(2OH, 1(C-Glu))-B(1OH) | Flavonol | 6-C-Glucopyranosylkaempferol |
| 1.000 | [Flavonol]-A(2OH, 1(C-Glu))-B(1OH) | Flavonol | 8-C-beta-D-Glucopyranosylkaempferol |
| 1.000 | [Isoflavone]-A(2OH, 1(C-Glu))-B(2OH) | Isoflavone | 6-C-Glucosylorobol |
| 1.000 | [Isoflavone]-A(2OH, 1(C-Glu))-B(2OH) | Isoflavone | 8-C-Glucosylorobol |
| 1.000 | [Anthocyanidin]-A(2OH, 1(C-Glu))-B(2OH) | Anthocyanidin | 8-C-Glucosylcyanidin |
| 0.063 | [Chalcone]-A(4OMe)-B(4OMe) | Chalcone | 2,3,4,5,2',3',4',6'-Octamethoxychalcone |
| 0.000 | [Flavone]-A(4OMe)-B(1OH, 3OMe) | Flavone | Agehoustin C |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH) | Flavone | 6-C-Galactosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH) | Flavone | 8-C-Galactosylluteolin |
| 0.000 | [Flavone]-A(3OH, 1(C-Galactosyl))-B(1OH) | Flavone | 6-C-Galactosylisoscutellarein |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartomunin |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artomunoxanthone |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artonol E |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Cycloartomunoxanthone |
| 0.000 | [UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone | Artonin P |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(1OH, 2OMe) | Flavonol | 3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 4-Hydroxy-3-phenylcoumarin | Lonchocarpenin |
| Level: 3, プリカーサーm/z: 431.14966 |
| Splash: splash10-0w30-0009100000-c998e5a21399d6b9341d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 353.16 | 8664 | 78 | 1000 |
| 383.15 | 6962 | 48 | 803 |
| 413.18 | 3539 | 18 | 408 |
| 395.25 | 1548 | 36 | 178 |
| 299.09 | 1297 | 132 | 149 |
| 311.16 | 1211 | 120 | 139 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.333 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none) | Flavone | Kaplanin |
| 0.333 | [Isoflavone]-A(1OH, 1(C-Glu))-B(1OMe) | Isoflavone | Puerarin 4'-methyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | Isomollupentin 7,4'-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | 7,4'-Di-O-Methylisomollupentin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OH) | Flavone | 8-C-Rhamnosylgenkwanin |
| 0.000 | [Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(2OH) | Flavone | Derhamnosylmaysin |
| 0.000 | [Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(2OH) | Flavone | 6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)luteolin |
| 0.000 | [Flavone]-A(2OH, 1(2,6-Dideoxy-beta-L-xylo-hexopyranosyl))-B(1OH, 1OMe) | Flavone | Alternanthin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(3-hydroxy-3-methylbutyl)) | Flavonol | Aliarin 4'-methyl ether |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OMe, 1(4-hydroxy-3-methylbutyl)) | Flavonol | 3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | 3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<1,6-Dihydroxy-2-cyclohexene-1-carbonyl>)) | Flavan 3-ol | Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate) |