ピーク情報
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ミヤコグサ
pos
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| Peak #2823 MN MID: SE205_S07_M90 |
| m/z: 727.20997, RT: 39.34, 強度: 11121, ログ強度: 0.55, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 9 |
| DB検索結果: (28 names) Sachaloside III;(-)-Sachaloside III;Isovitexin 7-O-xyloside-2''-O-glucoside;Pelargonidin 3-sambubioside-5-glucoside;Vaccarin;Cyanidin 3-(2G-xylosylrutinoside);Schaftoside 6''-O-glucoside;Apigenin 6-C-... |
| DBごとのヒット数: ALL 22 KG 1 KN 19 HM 2 |
| 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 |
|---|---|---|---|---|
| C32H38O19 | 726.20073 | 2.705 | Sachaloside III | FlavonoidViewer: FL5FAAGA0019 KNApSAcK: C00005221, C00031262 LipidMAPS: LMPK12111680 |
| C32H38O19 | 726.20073 | 2.705 | Isovitexin 7-O-xyloside-2''-O-glucoside | FlavonoidViewer: FL3FAADS0011, FL3FAADS0036 KNApSAcK: C00006308, C00014036 LipidMAPS: LMPK12110296, LMPK12110320 |
| C32H38O19 | 726.20073 | 2.705 | Isovitexin 4'-O-glucoside 2''-O-arabinoside | FlavonoidViewer: FL3FAADS0037 HMDB: HMDB0259735 KNApSAcK: C00014037 LipidMAPS: LMPK12110321 |
| C32H38O19 | 726.20073 | 2.705 | Pelargonidin 3-sambubioside-5-glucoside | FlavonoidViewer: [1]FL7AAAGL0011 KEGG: [1]C20492 KNApSAcK: [1]C00006646 LipidMAPS: [1]LMPK12010025 |
| C32H38O19 | 726.20073 | 2.705 | Cyanidin 3-(2G-xylosylrutinoside) | FlavonoidViewer: [1]FL7AACGL0015 HMDB: [1]HMDB0037994 KNApSAcK: [1]C00006671 LipidMAPS: [1]LMPK12010124 |
| C32H38O19 | 726.20073 | 2.705 | Schaftoside 6''-O-glucoside | FlavonoidViewer: FL3FAACS0036 KNApSAcK: C00006310 LipidMAPS: LMPK12110229 |
| C32H38O19 | 726.20073 | 2.705 | Apigenin 6-C-glucosyl-8-C-arabinoside | HMDB: HMDB0302630 |
| C32H38O19 | 726.20073 | 2.705 | Kaempferol 3-apioside-7-rhamnosyl-(1->6)-galactoside | FlavonoidViewer: FL5FAAGS0092 KNApSAcK: C00013759 LipidMAPS: LMPK12111927 |
| C32H38O19 | 726.20073 | 2.705 | Camelliaside B | FlavonoidViewer: FL5FAAGL0027 HMDB: HMDB0038767 KNApSAcK: C00005214 LipidMAPS: LMPK12111750 |
| C32H38O19 | 726.20073 | 2.705 | Frachinoside | KNApSAcK: C00019873 |
| C32H38O19 | 726.20073 | 2.705 | Kaempferol 3-xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside | FlavonoidViewer: FL5FAAGS0078 KNApSAcK: C00013745 LipidMAPS: LMPK12111913 |
| C32H38O19 | 726.20073 | 2.705 | Schaftoside 4'-O-glucoside | FlavonoidViewer: FL3FAADS0021 HMDB: HMDB0040878 KNApSAcK: C00006343 LipidMAPS: LMPK12110306 |
| C32H38O19 | 726.20073 | 2.705 | Kaempferol 7-methyl ether 3-apiosyl-(1->5)-apioside-4'-glucoside | FlavonoidViewer: FL5FCAGS0010 KNApSAcK: C00013813 LipidMAPS: LMPK12112582 |
| C32H38O19 | 726.20073 | 2.705 | Kaempferol 3-robinobioside-7-alpha-L-arabinofuranoside | FlavonoidViewer: FL5FAAGS0087 KNApSAcK: C00013754 LipidMAPS: LMPK12111922 |
| C32H38O19 | 726.20073 | 2.705 | Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside | FlavonoidViewer: FL5FAAGS0077 KNApSAcK: C00013744 LipidMAPS: LMPK12111912 |
| C32H38O19 | 726.20073 | 2.705 | Cyanidin 3-xylosyl-rutinoside | HMDB: [1]HMDB0302920 |
| C32H38O19 | 726.20073 | 2.705 | 1,2'-Bis(3,4-dihydroxy-5-methoxycinnamoyl)gentiobiose | KNApSAcK: C00054565 |
| C32H38O19 | 726.20073 | 2.705 | Isoschaftoside 4'-O-glucoside | FlavonoidViewer: FL3FAADS0020 HMDB: HMDB0040875 KNApSAcK: C00006342 LipidMAPS: LMPK12110305 |
| C32H38O19 | 726.20073 | 2.705 | Quercetin 3-xylosyl-(1->2)-rhamnoside-4'-rhamnoside | FlavonoidViewer: FL5FACGS0044 KNApSAcK: C00005478 LipidMAPS: LMPK12112209 |
| C32H38O19 | 726.20073 | 2.705 | Isovitexin 7-O-glucoside 2''-O-arabinoside | FlavonoidViewer: FL3FAADS0033, FL3FAADS0034 KNApSAcK: C00014033, C00014034 LipidMAPS: LMPK12110318 |
| C32H38O19 | 726.20073 | 2.705 | Isomollupentin 7,2''-di-O-glucoside | FlavonoidViewer: FL3FAADS0013 KNApSAcK: C00006311 LipidMAPS: LMPK12110298 |
| C32H38O19 | 726.20073 | 2.705 | Kaempferol 3-(2Gal-apiosylrobinobioside) | FlavonoidViewer: FL5FAAGA0016 HMDB: HMDB0039759 KNApSAcK: C00005204 LipidMAPS: LMPK12111677 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 727.20801 |
| Splash: splash10-0159-0011890000-3cfff9aa92b1104b7c32 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 419.13 | 2524 | 308 | 1000 |
| 581.12 | 1833 | 146 | 726 |
| 565.04 | 1424 | 162 | 564 |
| 433.05 | 1401 | 294 | 554 |
| 287.11 | 948 | 440 | 375 |
| 547.17 | 674 | 180 | 266 |
| 529.08 | 662 | 198 | 262 |
| 709.02 | 406 | 18 | 160 |
| 383.16 | 364 | 344 | 144 |
| 401.14 | 364 | 326 | 144 |
| 353.17 | 278 | 374 | 109 |
| 511.18 | 273 | 216 | 107 |
| 461.14 | 269 | 266 | 106 |
| 443.28 | 202 | 284 | 80 |
| 329.04 | 159 | 398 | 62 |
| 623.02 | 139 | 104 | 55 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 581.12018 |
| Splash: splash10-014i-0000900000-654507dbb30243ab8bfe |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 419.17 | 1462 | 162 | 1000 |
| 401.13 | 205 | 180 | 140 |
| 383.18 | 137 | 198 | 93 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(2OH) | Flavone | Lucenin 1 |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(2OH) | Flavone | Lucenin 3 |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH) | Flavone | Carlinoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH) | Flavone | Isocarlinoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH) | Flavone | Neocarlinoside |
| Level: 3, プリカーサーm/z: 419.13110 |
| Splash: splash10-0ue9-0009400000-08a011324d9650bcc785 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 383.17 | 1101 | 36 | 1000 |
| 401.13 | 769 | 18 | 698 |
| 353.15 | 430 | 66 | 390 |
| 329.16 | 168 | 90 | 152 |
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 |