ピーク情報
|
リーフレタスグリーン
pos
|
| Peak #888 MN MID: SE198_S12_M90 |
| m/z: 543.13210, RT: 13.47, 強度: 1389540, ログ強度: 2.65, アダクト: [M+K]+, 共有数（同様のピークを含むサンプル数）: 9 |
| DB検索結果: (32 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 31 KG 15 KN 3 HM 13 |
| FlavonoidSearch最大スコア MS2: -, MS3: - |
|
安定同位体ラベル実験で見積もられた原子数:
N: 0
S: 0
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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 | -0.188 | 1,3-beta-D-Oligoglucan | HMDB: HMDB0029922 KEGG: C03200, C00771, C07283 |
| C18H32O16 | 504.16903 | -0.188 | Galactogen | KEGG: C01698 |
| C18H32O16 | 504.16903 | -0.188 | 1-Kestose | HMDB: HMDB0011729 KEGG: C03661 KNApSAcK: C00048937 |
| C18H32O16 | 504.16903 | -0.188 | Panose | KNApSAcK: C00050489 |
| C18H32O16 | 504.16903 | -0.188 | Maltotriose | HMDB: HMDB0246628 KNApSAcK: C00055979 |
| C18H32O16 | 504.16903 | -0.188 | alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose | HMDB: HMDB0039704 |
| C18H32O16 | 504.16903 | -0.188 | 3-beta-Gentiobiosylglucose | HMDB: HMDB0039703 |
| C18H32O16 | 504.16903 | -0.188 | O-alpha-D-Mannopyranosyl-(1-4)-O-alpha-D-mannopyranosyl-(1-4)-alpha-D-mannopyranose | HMDB: HMDB0247818 |
| C18H32O16 | 504.16903 | -0.188 | beta-D-Galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->6)-D-galactose | HMDB: HMDB0038853 |
| C18H32O16 | 504.16903 | -0.188 | Umbelliferose | HMDB: HMDB0033748 KEGG: C08251 KNApSAcK: C00001153 |
| C18H32O16 | 504.16903 | -0.188 | Planteose | HMDB: HMDB0302793 KEGG: C03848 KNApSAcK: C00001144 |
| C18H32O16 | 504.16903 | -0.188 | 1,2-beta-Oligomannan | HMDB: HMDB0040984 KEGG: C21335, C21454 |
| C18H32O16 | 504.16903 | -0.188 | Levan | HMDB: HMDB0003539 |
| C18H32O16 | 504.16903 | -0.188 | Melezitose | HMDB: HMDB0011730 KEGG: C08243 KNApSAcK: C00001141 |
| C18H32O16 | 504.16903 | -0.188 | beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside | HMDB: HMDB0029930 |
| C18H32O16 | 504.16903 | -0.188 | beta-D-Galactopyranosyl-(1->2)-[beta-D-galactopyranosyl-(1->4)]-D-galactose | HMDB: HMDB0038851 |
| C18H32O16 | 504.16903 | -0.188 | 3-Galactosyllactose | HMDB: HMDB0006599, HMDB0039706, HMDB0246251 |
| C18H32O16 | 504.16903 | -0.188 | Raffinose | HMDB: HMDB0003213, HMDB0034072 KEGG: C08239, C00492 KNApSAcK: C00001135, C00001145 |
| C18H32O16 | 504.16903 | -0.188 | 3-beta-Cellobiosylglucose | HMDB: HMDB0039708 |
| C18H32O16 | 504.16903 | -0.188 | 6-Kestose | HMDB: HMDB0033673 |
| C18H32O16 | 504.16903 | -0.188 | 6-alpha-Maltosylglucose | HMDB: HMDB0039707 KEGG: C03367, C04417 |
| C18H32O16 | 504.16903 | -0.188 | Neokestose | HMDB: HMDB0029921 |
| C18H32O16 | 504.16903 | -0.188 | 1-alpha-D-[(1->4)-alpha-D-Glucosyl](n-1)-alpha-D-glucopyranoside | KEGG: C06400 |
| C18H32O16 | 504.16903 | -0.188 | Manninotriose | HMDB: HMDB0041948, HMDB0247628 KNApSAcK: C00050475, C00051462 |
| C18H32O16 | 504.16903 | -0.188 | Galactomannan | HMDB: HMDB0029929 KEGG: C00883 |
| C18H32O16 | 504.16903 | -0.188 | Levan | HMDB: HMDB0254045 KEGG: C06215 |
| C18H32O16 | 504.16903 | -0.188 | Polysaccharide | HMDB: HMDB0001262, HMDB0006857, HMDB0038852 KEGG: C00420, C01835, C01935, C01898, C06219, C17207 |
| C18H32O16 | 504.16903 | -0.188 | Panose | HMDB: HMDB0029937 KEGG: C00713 |
| C18H32O16 | 504.16903 | -0.188 | P(k) Trisaccharide | HMDB: HMDB0242554 |
| C18H32O16 | 504.16903 | -0.188 | Isomaltotriose | HMDB: HMDB0029910, HMDB0060468 KEGG: C02160, C02493, C05404 |
| C18H32O16 | 504.16903 | -0.188 | Fagopyritol B2 | HMDB: HMDB0035322, HMDB0040181 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 543.13104 |
| Splash: splash10-01q9-0009000000-8284d229fdb1e1394d90 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 381.11 | 89562 | 162 | 1000 |
| 363.05 | 57572 | 180 | 642 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 363.08026 |
| Splash: splash10-0udi-0090000000-e0d643f6dc14a836984f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 200.91 | 713 | 162 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavanone]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavanone | 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone |
| 0.000 | [Isoflavan]-A(1OH, 2OMe)-B(1OH, 2OMe) | Isoflavan | Machaerol B |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 3,5,7,3',5'-Pentahydroxy-6,4'-dimethoxyflavone |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 8,3'-dimethyl ether |
| 0.000 | [Flavonol]-A(2OH, 2OMe)-B(2OH) | Flavonol | 3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone |
| 0.000 | [Flavanone]-A(2OH, 1(2-hydroxybenzyl))-B(none) | Flavanone | Isochamanetin |
| 0.000 | [Flavanone]-A(2OH, 1(2-hydroxybenzyl))-B(none) | Flavanone | Chamanetin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH) | Flavonol | 5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH) | Flavonol | 5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH) | Flavonol | 5,8,3',4',5'-Pentahydroxy-3,7-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OH, 1OMe)-B(2OH) | Flavonol | 5,7,8,3',4'-Pentahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavan 3-ol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl)) | Flavan 3-ol | 3,7,8,3',4'-Pentahydroxy-5-methoxyflavan 3-O-acetate |
| Level: 3, プリカーサーm/z: 381.09332 |
| Splash: splash10-0gb9-0090000000-6ca9013fcfebcf749545 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 219.09 | 573 | 162 | 1000 |
| 200.77 | 386 | 180 | 673 |
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 |