ピーク情報
|
さくらんぼ 国産 生
pos
|
| Peak #3355 MN MID: SE118_S070701_M90 |
| m/z: 433.13382, RT: 41.79, 強度: 7412, ログ強度: 0.43, 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: (7 names) 5-(1,1-Dihydroxythiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide;Griselinoside;Licoagroside B;6-O-Acetylscandoside;Asperulosidic acid;Apiosylglucosyl 4-hydroxybenzo... |
| DBごとのヒット数: ALL 7 KN 5 HM 2 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.077 |
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 |
|---|---|---|---|---|
| C20H21O4N4SF | 432.12675 | -0.477 | 5-(1,1-Dihydroxythiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide | HMDB: HMDB0257960 |
| C18H24O12 | 432.12678 | -0.528 | Tachiogroside B | HMDB: HMDB0036523 KNApSAcK: C00019031 |
| C18H24O12 | 432.12678 | -0.528 | Griselinoside | KNApSAcK: C00010550 |
| C18H24O12 | 432.12678 | -0.528 | 6-O-Acetylscandoside | KNApSAcK: C00032672, C00036635 |
| C18H24O12 | 432.12678 | -0.528 | Asperulosidic acid | HMDB: HMDB0248668 KNApSAcK: C00029749 |
| C18H24O12 | 432.12678 | -0.528 | Apiosylglucosyl 4-hydroxybenzoate | HMDB: HMDB0035318 |
| C18H24O12 | 432.12678 | -0.528 | Linderofruticoside B | KNApSAcK: C00030675 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 433.13297 |
| Splash: splash10-054t-0596000000-b0719bc9f66424c591cd |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 397.10 | 726 | 36 | 1000 |
| 185.00 | 659 | 248 | 906 |
| 209.15 | 603 | 224 | 830 |
| 251.15 | 215 | 182 | 296 |
| 227.24 | 199 | 206 | 273 |
| 379.10 | 139 | 54 | 191 |
| 293.20 | 134 | 140 | 184 |
| 275.15 | 132 | 158 | 181 |
| 177.99 | 87 | 255 | 119 |
| 391.51 | 86 | 42 | 118 |
| 415.22 | 62 | 18 | 85 |
| 153.07 | 45 | 280 | 62 |
| 267.19 | 37 | 166 | 50 |
| 232.34 | 37 | 201 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.111 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Neovitexin |
| 0.111 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Vitexin |
| 0.111 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Isovitexin |
| 0.111 | [Flavonol]-A(1OH, 1(C-Glu))-B(1OH) | Flavonol | 8-C-Glucosylresokaempferol |
| 0.111 | [Isoflavone]-A(1OH, 1(C-Glu))-B(2OH) | Isoflavone | 8-Glucosyl 3'-hydroxydaidzein |
| 0.111 | [Isoflavone]-A(2OH, 1(C-Glu))-B(1OH) | Isoflavone | Genistein 8-C-glucoside |
| 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 | [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: 397.09637 |
| Splash: splash10-0006-0091000000-359973e300f92b643d8e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 293.17 | 239 | 104 | 1000 |
| 379.14 | 50 | 18 | 208 |
| 275.04 | 39 | 122 | 163 |
| 251.11 | 36 | 146 | 152 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.077 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe) | 2'-Hydroxychalcone | Glabrachalcone |
| 0.077 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | Ponganone VI |
| 0.077 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | Glychalcone B |
| 0.077 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-3,4,4'-trimethoxychalcone |
| 0.071 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Ponganone IV |
| 0.071 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Glyflavanone B |
| 0.043 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Isoflavone | Elongatin |
| 0.042 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Isoflavone | Pumilaisoflavone D |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Flavone | 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | 2'-Hydroxychalcone | Ovalichalcone A |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Pongagallone B |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 2Methyl) | Flavone | Muxiangrin III |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1OMe) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artoindonesianin S |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artonin L |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | Velloquercetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Flavonol | 8-C-Methylvelloquercetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavonol | 3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 2OMe) | Isoflavone | 5,4'-Dihydroxy-3',5'-dimethoxy-(5''-Isopropenyldihydrofurano)[2'',3'':7,6]isoflavone |
| 0.000 | [Pterocarpan]-A(2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neoraucarpan |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(1OH, 1OMe) | Rotenone | 3-O-Demethylamorphigenin |
| 0.000 | [Rotenone]-A(1OH, 1(C-Prenyl))-B(2OMe) | Rotenone | Rotenonic acid |
| 0.000 | [4-Benzoylchroman]-A(2OMe)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | 4-Benzoylchroman | Rotenol |