ピーク情報
|
イネ 葉 ニッポンバレ
pos
|
| Peak #3120 MN MID: SE199_S41_M90 |
| m/z: 787.21001, RT: 42.49, 強度: 98397, ログ強度: 1.40, 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: (13 names) Petunoside;Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside;5,7-Dihydroxy-3-[[2-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-galactopyranosyl]ox... |
| DBごとのヒット数: ALL 11 KN 10 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 |
|---|---|---|---|---|
| C37H38O19 | 786.20073 | 2.549 | Petunoside | FlavonoidViewer: FL5FAAGL0081 KNApSAcK: C00005882 LipidMAPS: LMPK12111803 |
| C37H38O19 | 786.20073 | 2.549 | Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside | FlavonoidViewer: FL5FAAGS0117 KNApSAcK: C00013784 LipidMAPS: LMPK12111952 |
| C37H38O19 | 786.20073 | 2.549 | Isoorientin 4'-O-glucoside 2''-O-(E)-ferulate | FlavonoidViewer: FL3FACDS0018 KNApSAcK: C00006331 LipidMAPS: LMPK12110626 |
| C37H38O19 | 786.20073 | 2.549 | Cyanidin 3-(6''-ferulylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AACGL0052 HMDB: [1]HMDB0037987 KNApSAcK: [1]C00006823 LipidMAPS: [1]LMPK12010161 |
| C37H38O19 | 786.20073 | 2.549 | Peonidin 3-[6-(3-glucosylcaffeyl)glucoside] | FlavonoidViewer: [1]FL7AADGL0015 KNApSAcK: [1]C00006863 LipidMAPS: [1]LMPK12010246 |
| C37H38O19 | 786.20073 | 2.549 | Petunidin 3-(6''-p-coumarylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AAHGL0013 HMDB: [1]HMDB0038100 KNApSAcK: [1]C00006898 LipidMAPS: [1]LMPK12010360 |
| C37H38O19 | 786.20073 | 2.549 | Isorhamnetin 3-O-beta-(6''-O-E-p-coumaroylglucoside)-7-O-beta-glucoside | FlavonoidViewer: FL5FADGL0040 KNApSAcK: C00011130 LipidMAPS: LMPK12110594 |
| C37H38O19 | 786.20073 | 2.549 | Isoorientin 7-O-(6'''-O-(E)-feruloyl)glucoside | FlavonoidViewer: FL3FACDS0026 KNApSAcK: C00014097 LipidMAPS: LMPK12110634 |
| C37H38O19 | 786.20073 | 2.549 | Isoorientin 2''-[feruloyl-(->6)-glucoside] | HMDB: HMDB0032911 |
| C37H38O19 | 786.20073 | 2.549 | Kaempferol 3-(2''-(E)-feruloylgalactosyl-(1->4)-glucoside) | FlavonoidViewer: FL5FAAGS0114 HMDB: HMDB0301960 KNApSAcK: C00013781 LipidMAPS: LMPK12111949 |
| C37H38O19 | 786.20073 | 2.549 | Ozturkoside B | KNApSAcK: C00035719 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 787.20618 |
| Splash: splash10-0002-0017901000-e1dd83eb6790a0a0b546 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 449.10 | 226316 | 338 | 1000 |
| 431.18 | 109459 | 356 | 483 |
| 329.09 | 102527 | 458 | 453 |
| 299.09 | 56803 | 488 | 250 |
| 353.18 | 56685 | 434 | 250 |
| 383.12 | 55761 | 404 | 246 |
| 395.25 | 50458 | 392 | 222 |
| 625.14 | 40653 | 162 | 179 |
| 413.10 | 38641 | 374 | 170 |
| 769.12 | 32825 | 18 | 145 |
| 607.13 | 15143 | 180 | 66 |
| 339.20 | 15004 | 448 | 66 |
| 377.27 | 13906 | 410 | 61 |
| 287.14 | 11408 | 500 | 50 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 449.08105 |
| Splash: splash10-001i-0007900000-13104538ceeb1cc0a7de |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 431.13 | 43023 | 18 | 1000 |
| 383.14 | 17838 | 66 | 414 |
| 353.19 | 10112 | 96 | 235 |
| 329.14 | 8333 | 120 | 193 |
| 413.19 | 7086 | 36 | 164 |
| 395.23 | 6218 | 54 | 144 |
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: 431.09387 |
| Splash: splash10-0w30-0009200000-caf5de562d934bd3ea45 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 353.20 | 14457 | 78 | 1000 |
| 383.07 | 11994 | 48 | 829 |
| 413.18 | 7544 | 18 | 521 |
| 395.19 | 3589 | 36 | 248 |
| 299.14 | 1657 | 132 | 114 |
| 311.23 | 1067 | 120 | 73 |
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) |