ピーク情報
|
（らっきょう類） らっきょう りん茎 生
pos
|
| Peak #3961 MN MID: SE118_S063051_M90 |
| m/z: 595.38618, RT: 45.45, 強度: 41655, ログ強度: 1.15, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 6 |
| DB検索結果: (5 names) Capsicoside A1;Aldecalmycin;Dioseptemloside B;(-)-Dioseptemloside B;6-O-(Glcb)-(25R)-5alpha-spirostan-3beta,6alpha-diol |
| DBごとのヒット数: ALL 4 KN 2 HM 1 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.286 |
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 |
|---|---|---|---|---|
| C33H54O9 | 594.37678 | 3.571 | Capsicoside A1 | HMDB: HMDB0303762 |
| C33H54O9 | 594.37678 | 3.571 | Aldecalmycin | KNApSAcK: C00017220 |
| C33H54O9 | 594.37678 | 3.571 | Dioseptemloside B | KNApSAcK: C00033779 |
| C33H54O9 | 594.37678 | 3.571 | 6-O-(Glcb)-(25R)-5alpha-spirostan-3beta,6alpha-diol | LipidMAPS: LMST01080087 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 595.38544 |
| Splash: splash10-001i-0030900000-88b03d0995550c25dde5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 433.41 | 25279 | 162 | 1000 |
| 289.38 | 9271 | 306 | 366 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 2(C-Glu))-B(1OH) | Flavone | Vicenin 2 |
| 0.000 | [Isoflavone]-A(2OH, 2(C-Glu))-B(1OH) | Isoflavone | Paniculatin |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone]-A(2OH, 1(C-Glu), 1([3,2:m,n]-(Epoxy-C-glucosyl)))-B(1OH) | UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone | Safflor yellow A |
| 0.000 | [3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH) | 3-substituted Flavone | 3,6-Di-C-glucosylapigenin |
| 0.000 | [3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH) | 3-substituted Flavone | 3,8-Di-C-glucopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Galactosyl))-B(1OH) | Flavone | 6,8-Di-C-galactopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Galactosyl))-B(1OH) | Flavone | 6-C-Glucopyranosyl-8-C-galactopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(1(O-(E)-p-Coumaroyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2''-O-(E)-p-coumarate |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe) | Flavone | 6-C-Xylopyranosyl-8-C-glucopyranosylchrysoeriol |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe) | Flavone | 6-C-Glucopyranosyl-8-C-xylopyranosylchrysoeriol |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe) | Flavone | Chrysoeriol 6-C-glucoside-8-C-arabinopyranoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe) | Flavone | Chrysoeriol 6-C-arabinopyranoside-8-C-glucoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(2OH) | Flavone | Elatin |
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe) | Flavone | 6,8-Di-C-arabinopyranosyltricin |
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe) | Flavone | 6,8-Di-C-arabinopyranosylapometzgerin |
| Level: 3, プリカーサーm/z: 289.21918 |
| Splash: splash10-0fk9-0190000000-441ccf45e1684f0312e1 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.24 | 2266 | 18 | 1000 |
| 253.30 | 1740 | 36 | 767 |
| 161.08 | 357 | 128 | 157 |
| 179.12 | 270 | 110 | 118 |
| 201.03 | 177 | 88 | 78 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.286 | [Dihydroflavonol]-A(1OH)-B(2OH) | Dihydroflavonol | Fustin |
| 0.167 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | 3,4,2',4',6'-Pentahydroxychalcone |
| 0.167 | [Isoflavanone]-A(2OH)-B(2OH) | Isoflavanone | Dalbergioidin |
| 0.154 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',6'-Tetrahydroxyflavanone |
| 0.154 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxyflavanone |
| 0.154 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Eriodictyol |
| 0.154 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Steppogenin |
| 0.143 | [Dihydrochalcone]-A(2OH)-B(1OH, 1OMe) | Dihydrochalcone | 4,2',4'-Trihydroxy-3-methoxydihydrochalcone |
| 0.133 | [2'-Hydroxychalcone]-A(2OH)-B(3OH) | 2'-Hydroxychalcone | Robtein |
| 0.133 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Neoplathymenin |
| 0.133 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Okanin |
| 0.125 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Plathymenin |
| 0.125 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Isookanin |
| 0.125 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxyflavanone |
| 0.083 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin |
| 0.071 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Carthamidin |
| 0.071 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Isocarthamidin |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(2OH, 1OMe) | Dihydrochalcone | Loureirin D |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OH) | Dihydrochalcone | Asebogenin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OH) | Dihydrochalcone | 4,2',4'-Trihydroxy-6'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(2OH) | Dihydrochalcone | Dihydrocalythropsin |
| 0.000 | [Dihydrochalcone]-A(3OH)-B(1OMe) | Dihydrochalcone | 2',4',6'-Trihydroxy-4-methoxydihydrochalcone |
| 0.000 | [Auronol]-A(1OH)-B(2OH) | Auronol | 2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone |
| 0.000 | [Auronol]-A(2OH)-B(1OH) | Auronol | Maesopsin |
| 0.000 | [alpha-Hydroxychalcone]-A(2OH)-B(2OH) | alpha-Hydroxychalcone | 3,4,2',4',alpha-Pentahydroxychalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone alpha-ol | 4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(1OMe) | Dihydrochalcone alpha-ol | 2',4',alpha-Trihydroxy-4-methoxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(1OH) | 2-Hydroxyflavanone | 2,5,7,4'-Tetrahydroxyflavanone |
| 0.000 | [CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(2OH)-B(1OH) | CCS-type derivative / [4,2']-Epoxyflavan 3-ol | Cyanomaclurin |
| 0.000 | [CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(1OH)-B(2OH) | CCS-type derivative / [4,2']-Epoxyflavan 3-ol | 6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol |
| 0.000 | [Flavan]-A(1OH)-B(2OH, 1OMe) | Flavan | 7,3',5'-Trihydroxy-4'-methoxyflavan |