ピーク情報
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タバコBY-2細胞 培地 0日目
pos
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| Peak #757 MN MID: SE204_S10_M90 |
| m/z: 543.13253, RT: 11.75, 強度: 17954, ログ強度: 0.74, アダクト: [M+K]+, 共有数（同様のピークを含むサンプル数）: 27 |
| DB検索結果: (33 names) Galactotriose;;1-Kestose;Panose;4-alpha-Isomaltosylglucose;Maltotriose;alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose;3-beta-Gentiobiosylglucose;O-alpha-D-Mannopyranosyl-(1-4)-O... |
| DBごとのヒット数: ALL 32 KG 15 KN 3 HM 14 |
| 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 |
|---|---|---|---|---|
| C18H32O16 | 504.16903 | 0.668 | 1,3-beta-D-Oligoglucan | HMDB: HMDB0029922 KEGG: C03200, C00771, C07283 |
| C18H32O16 | 504.16903 | 0.668 | Galactogen | KEGG: C01698 |
| C18H32O16 | 504.16903 | 0.668 | 1-Kestose | HMDB: HMDB0011729 KEGG: C03661 KNApSAcK: C00048937 |
| C18H32O16 | 504.16903 | 0.668 | Panose | KNApSAcK: C00050489 |
| C18H32O16 | 504.16903 | 0.668 | Maltotriose | HMDB: HMDB0246628 KNApSAcK: C00055979 |
| C18H32O16 | 504.16903 | 0.668 | alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose | HMDB: HMDB0039704 |
| C18H32O16 | 504.16903 | 0.668 | 3-beta-Gentiobiosylglucose | HMDB: HMDB0039703 |
| C18H32O16 | 504.16903 | 0.668 | O-alpha-D-Mannopyranosyl-(1-4)-O-alpha-D-mannopyranosyl-(1-4)-alpha-D-mannopyranose | HMDB: HMDB0247818 |
| C18H32O16 | 504.16903 | 0.668 | beta-D-Galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->6)-D-galactose | HMDB: HMDB0038853 |
| C18H32O16 | 504.16903 | 0.668 | Umbelliferose | HMDB: HMDB0033748 KEGG: C08251 KNApSAcK: C00001153 |
| C18H32O16 | 504.16903 | 0.668 | Planteose | HMDB: HMDB0302793 KEGG: C03848 KNApSAcK: C00001144 |
| C18H32O16 | 504.16903 | 0.668 | 1,2-beta-Oligomannan | HMDB: HMDB0040984 KEGG: C21335, C21454 |
| C18H32O16 | 504.16903 | 0.668 | Levan | HMDB: HMDB0003539 |
| C18H32O16 | 504.16903 | 0.668 | Melezitose | HMDB: HMDB0011730 KEGG: C08243 KNApSAcK: C00001141 |
| C18H32O16 | 504.16903 | 0.668 | beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside | HMDB: HMDB0029930 |
| C18H32O16 | 504.16903 | 0.668 | beta-D-Galactopyranosyl-(1->2)-[beta-D-galactopyranosyl-(1->4)]-D-galactose | HMDB: HMDB0038851 |
| C18H32O16 | 504.16903 | 0.668 | 3-Galactosyllactose | HMDB: HMDB0006599, HMDB0039706, HMDB0246251 |
| C18H32O16 | 504.16903 | 0.668 | Raffinose | HMDB: HMDB0003213, HMDB0034072 KEGG: C08239, C00492 KNApSAcK: C00001135, C00001145 |
| C18H32O16 | 504.16903 | 0.668 | 3-beta-Cellobiosylglucose | HMDB: HMDB0039708 |
| C18H32O16 | 504.16903 | 0.668 | 6-Kestose | HMDB: HMDB0033673 |
| C18H32O16 | 504.16903 | 0.668 | 6-alpha-Maltosylglucose | HMDB: HMDB0039707 KEGG: C03367, C04417 |
| C18H32O16 | 504.16903 | 0.668 | Neokestose | HMDB: HMDB0029921 |
| C18H32O16 | 504.16903 | 0.668 | 1-alpha-D-[(1->4)-alpha-D-Glucosyl](n-1)-alpha-D-glucopyranoside | KEGG: C06400 |
| C18H32O16 | 504.16903 | 0.668 | Manninotriose | HMDB: HMDB0041948, HMDB0247628 KNApSAcK: C00050475, C00051462 |
| C18H32O16 | 504.16903 | 0.668 | Galactomannan | HMDB: HMDB0029929 KEGG: C00883 |
| C18H32O16 | 504.16903 | 0.668 | Levan | HMDB: HMDB0254045 KEGG: C06215 |
| C18H32O16 | 504.16903 | 0.668 | Polysaccharide | HMDB: HMDB0001262, HMDB0006857, HMDB0038852 KEGG: C00420, C01835, C01935, C01898, C06219, C17207 |
| C18H32O16 | 504.16903 | 0.668 | Panose | HMDB: HMDB0029937 KEGG: C00713 |
| C18H32O16 | 504.16903 | 0.668 | P(k) Trisaccharide | HMDB: HMDB0242554 |
| C18H32O16 | 504.16903 | 0.668 | Isomaltotriose | HMDB: HMDB0029910, HMDB0060468 KEGG: C02160, C02493, C05404 |
| C18H32O16 | 504.16903 | 0.668 | Fagopyritol B2 | HMDB: HMDB0035322, HMDB0040181 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 543.13251 |
| Splash: splash10-001i-0009000000-d00e2ba85572f16e75b6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 381.02 | 6648 | 162 | 1000 |
| 363.12 | 1385 | 180 | 208 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 381.03638 |
| Splash: splash10-0udi-0090000000-4c001d338a9f6d75793c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 200.91 | 43 | 180 | 1000 |
| 218.87 | 10 | 162 | 240 |
| 291.04 | 5 | 90 | 119 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Coumestan]-A(2OMe, 1(C-Prenyl))-B(1OH) | Coumestan | 1-O-Methylglycyrol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | 2'-Hydroxychalcone | Glabrachromene I |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 7-Methoxypraecansone B |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone (2-OMe)]-A(none)-B(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | beta-Hydroxy(or Oxodihydro)chalcone | Praecanson A |
| 0.000 | [Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Ovalichromene A |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-Furano)) | Flavanone | Abyssinoflavanone IV |
| 0.000 | [Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Isoglabrachromene |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | Flavone | Multijuginol |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Muxiangrin II |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | 4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Flavonol | Vellokaempferol 3,5-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OMe) | Flavonol | Vellokaempferol 3,4'-dimethyl ether |
| 0.000 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Isoflavone | Predurmillone |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 4-Hydroxy-3-phenylcoumarin | Robustic acid |