ピーク情報
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ミヤコグサ
pos
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| Peak #3028 MN MID: SE205_S07_M90 |
| m/z: 697.19902, RT: 40.57, 強度: 25146, ログ強度: 0.90, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (6 names) Malvidin 3-(6''-acetylglucoside)-5-glucoside;Isovitexin 7-O-xyloside 2''-O-arabinoside;Kaempferol 3-apiosyl-(1->2)-alpha-L-arabinofuranoside-7-rhamnoside;Apigenin 6-C-arabinosyl-8-C-glucoside;Isomollu... |
| DBごとのヒット数: ALL 6 KN 5 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: - |
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 |
|---|---|---|---|---|
| C31H36O18 | 696.19016 | 2.269 | Malvidin 3-(6''-acetylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AAIGL0016 KNApSAcK: [1]C00006907 LipidMAPS: [1]LMPK12010387 |
| C31H36O18 | 696.19016 | 2.269 | Isovitexin 7-O-xyloside 2''-O-arabinoside | FlavonoidViewer: FL3FAADS0035 KNApSAcK: C00014035 LipidMAPS: LMPK12110319 |
| C31H36O18 | 696.19016 | 2.269 | Kaempferol 3-apiosyl-(1->2)-alpha-L-arabinofuranoside-7-rhamnoside | FlavonoidViewer: FL5FAAGS0039 KNApSAcK: C00005220 LipidMAPS: LMPK12111875 |
| C31H36O18 | 696.19016 | 2.269 | Apigenin 6-C-arabinosyl-8-C-glucoside | HMDB: HMDB0302629 |
| C31H36O18 | 696.19016 | 2.269 | Haploside C | FlavonoidViewer: FL5FFCGS0023 KNApSAcK: C00006037 LipidMAPS: LMPK12113216 |
| C31H36O18 | 696.19016 | 2.269 | Isomollupentin 7-O-glucoside-2''-O-xyloside | FlavonoidViewer: FL3FAADS0009, FL3FAADS0010 KNApSAcK: C00006305, C00006306 LipidMAPS: LMPK12110294, LMPK12110295 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 697.19873 |
| Splash: splash10-0gb9-0013950000-7fca860526f3473c309b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 419.06 | 3537 | 278 | 1000 |
| 551.05 | 2538 | 146 | 717 |
| 449.04 | 2481 | 248 | 701 |
| 303.07 | 2272 | 394 | 642 |
| 565.04 | 2205 | 132 | 623 |
| 433.01 | 1635 | 264 | 462 |
| 287.13 | 915 | 410 | 258 |
| 383.03 | 351 | 314 | 99 |
| 401.16 | 339 | 296 | 95 |
| 547.20 | 315 | 150 | 88 |
| 353.19 | 243 | 344 | 68 |
| 533.16 | 209 | 164 | 59 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(2-Hydroxybenzyl), 1(3x2-hydroxybenzyl))-B(none) | Dihydrochalcone | 2',4'-Dihydroxy-6'-methoxy-3'-(2-hydroxybenzyl)-5'-(3 x 2-hydroxybenzyl)dihydrochalcone |
| Level: 3, プリカーサーm/z: 551.15497 |
| Splash: splash10-014i-0000900000-06d65834690c3deb5957 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 419.07 | 1290 | 132 | 1000 |
| 401.03 | 164 | 150 | 127 |
| 533.20 | 97 | 18 | 74 |
| 303.20 | 83 | 248 | 64 |
| 383.19 | 69 | 168 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(2OH) | Flavone | 6,8-Di-C-Arabinosylluteolin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe) | Dihydroflavonol | Rel-5-hydroxy-7,4'-dimethoxy-2''S-(2,4,5-trimethoxy-E-styryl)-tetrahydrofuro[4''R,5''R:2,3]flavanonol |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe) | Dihydroflavonol | Rel-5-Hydroxy-7,4'-dimethoxy-3''S-(2,4,5-trimethoxy-E-styryl)tetrahydrofuro[4''R,5''R:2,3]flavanonol |
| Level: 3, プリカーサーm/z: 419.05298 |
| Splash: splash10-0ue9-0009700000-772849f2835c5fc6b75a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 401.15 | 1183 | 18 | 1000 |
| 383.08 | 959 | 36 | 810 |
| 353.07 | 397 | 66 | 335 |
| 329.11 | 133 | 90 | 112 |
| 299.01 | 63 | 120 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Gangetinin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(4OMe) | Flavone | Agecorynin F |
| 0.000 | [Flavone]-A(3OMe)-B(1OH, 3OMe) | Flavone | Agecorynin G |
| 0.000 | [Flavone]-A(4OMe)-B(1OH, 2OMe) | Flavone | 4'-Hydroxy-5,6,7,8,3',5'-hexamethoxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(1OH, 2OMe) | Flavone | 3'-Hydroxy-5,6,7,8,4',5'-hexamethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(3OMe) | Flavone | 8-Hydroxy-5,6,7,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(3OMe) | Flavone | Gardenin A |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(3OMe) | Flavone | Agehoustin E |
| 0.000 | [Flavonol]-A(4OMe)-B(2OMe) | Flavonol | Natsudaidain |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Glu))-B(1OH) | 2'-Hydroxychalcone | 3'-C-Glucosylisoliquiritigenin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(2OH) | 2'-Hydroxychalcone | 8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(4OMe) | 2'-Hydroxychalcone | 6'-Hydroxy-2,3,4,5,2'-pentamethoxy-3',4'-methylenedioxychalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OMe) | Dihydrochalcone | Calomelanol A |
| 0.000 | [Flavanone]-A(1OH, 1(C-Galactosyl))-B(1OH) | Flavanone | 8-C-beta-D-Galactosylliquiritigenin |
| 0.000 | [Flavanone]-A(4OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavanone | Agecorynin B |
| 0.000 | [Flavone]-A(2OH, 1(C-Xylosyl))-B(2OH) | Flavone | 6-C-Xylosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(2OH) | Flavone | 8-C-alpha-L-Arabinosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(2OH) | Flavone | 6-C-alpha-L-Arabinosylluteolin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cyclomorusin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Isocyclomorusin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(4OMe) | Flavonol | 5-Hydroxy-3,7,2',3',4',6'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1OH, 2OMe) | Flavonol | 4'-Hydroxy-3,5,6,7,3',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,6,7,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,6,7,2',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe) | Flavonol | 8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe) | Flavonol | Grantioidinin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe) | Flavonol | 7-Hydroxy-3,5,6,8,3',4'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe) | Flavonol | 5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 2OMe) | Flavonol | 5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe) | Flavonol | 5-Hydroxy-3,6,7,8,2',4'-hexamethoxyflavone |
| 0.000 | [CCS-type derivative / [2,3a,4:5,4,3]-(8,9-Dihydroxy-1,5-dioxa-6-oxophenaleno)anthocyanidin]-A(1OH)-B(2OH) | CCS-type derivative / [2,3a,4:5,4,3]-(8,9-Dihydroxy-1,5-dioxa-6-oxophenaleno)anthocyanidin | Rosacyanin B |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6-Hydroxymethyl-6-methylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexone D |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexin C |
| 0.000 | [Isoflavone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Scandinone |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Nitiducarpin |
| 0.000 | [Coumaranochromon]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Coumaranochromon | Millettin |