ピーク情報
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＜牛乳及び乳製品＞（液状乳類） 生乳 ホルスタイン種
pos
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| Peak #1132 MN MID: SE112_S130021_M90 |
| m/z: 505.17737, RT: 11.69, 強度: 101438, ログ強度: 1.50, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 158 |
| 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 | 2.106 | 1,3-beta-D-Oligoglucan | HMDB: HMDB0029922 KEGG: C03200, C00771, C07283 |
| C18H32O16 | 504.16903 | 2.106 | Galactogen | KEGG: C01698 |
| C18H32O16 | 504.16903 | 2.106 | 1-Kestose | HMDB: HMDB0011729 KEGG: C03661 KNApSAcK: C00048937 |
| C18H32O16 | 504.16903 | 2.106 | Panose | KNApSAcK: C00050489 |
| C18H32O16 | 504.16903 | 2.106 | Maltotriose | HMDB: HMDB0246628 KNApSAcK: C00055979 |
| C18H32O16 | 504.16903 | 2.106 | alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose | HMDB: HMDB0039704 |
| C18H32O16 | 504.16903 | 2.106 | 3-beta-Gentiobiosylglucose | HMDB: HMDB0039703 |
| C18H32O16 | 504.16903 | 2.106 | O-alpha-D-Mannopyranosyl-(1-4)-O-alpha-D-mannopyranosyl-(1-4)-alpha-D-mannopyranose | HMDB: HMDB0247818 |
| C18H32O16 | 504.16903 | 2.106 | beta-D-Galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->6)-D-galactose | HMDB: HMDB0038853 |
| C18H32O16 | 504.16903 | 2.106 | Umbelliferose | HMDB: HMDB0033748 KEGG: C08251 KNApSAcK: C00001153 |
| C18H32O16 | 504.16903 | 2.106 | Planteose | HMDB: HMDB0302793 KEGG: C03848 KNApSAcK: C00001144 |
| C18H32O16 | 504.16903 | 2.106 | 1,2-beta-Oligomannan | HMDB: HMDB0040984 KEGG: C21335, C21454 |
| C18H32O16 | 504.16903 | 2.106 | Levan | HMDB: HMDB0003539 |
| C18H32O16 | 504.16903 | 2.106 | Melezitose | HMDB: HMDB0011730 KEGG: C08243 KNApSAcK: C00001141 |
| C18H32O16 | 504.16903 | 2.106 | beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside | HMDB: HMDB0029930 |
| C18H32O16 | 504.16903 | 2.106 | beta-D-Galactopyranosyl-(1->2)-[beta-D-galactopyranosyl-(1->4)]-D-galactose | HMDB: HMDB0038851 |
| C18H32O16 | 504.16903 | 2.106 | 3-Galactosyllactose | HMDB: HMDB0006599, HMDB0039706, HMDB0246251 |
| C18H32O16 | 504.16903 | 2.106 | Raffinose | HMDB: HMDB0003213, HMDB0034072 KEGG: C08239, C00492 KNApSAcK: C00001135, C00001145 |
| C18H32O16 | 504.16903 | 2.106 | 3-beta-Cellobiosylglucose | HMDB: HMDB0039708 |
| C18H32O16 | 504.16903 | 2.106 | 6-Kestose | HMDB: HMDB0033673 |
| C18H32O16 | 504.16903 | 2.106 | 6-alpha-Maltosylglucose | HMDB: HMDB0039707 KEGG: C03367, C04417 |
| C18H32O16 | 504.16903 | 2.106 | Neokestose | HMDB: HMDB0029921 |
| C18H32O16 | 504.16903 | 2.106 | 1-alpha-D-[(1->4)-alpha-D-Glucosyl](n-1)-alpha-D-glucopyranoside | KEGG: C06400 |
| C18H32O16 | 504.16903 | 2.106 | Manninotriose | HMDB: HMDB0041948, HMDB0247628 KNApSAcK: C00050475, C00051462 |
| C18H32O16 | 504.16903 | 2.106 | Galactomannan | HMDB: HMDB0029929 KEGG: C00883 |
| C18H32O16 | 504.16903 | 2.106 | Levan | HMDB: HMDB0254045 KEGG: C06215 |
| C18H32O16 | 504.16903 | 2.106 | Polysaccharide | HMDB: HMDB0001262, HMDB0006857, HMDB0038852 KEGG: C00420, C01835, C01935, C01898, C06219, C17207 |
| C18H32O16 | 504.16903 | 2.106 | Panose | HMDB: HMDB0029937 KEGG: C00713 |
| C18H32O16 | 504.16903 | 2.106 | P(k) Trisaccharide | HMDB: HMDB0242554 |
| C18H32O16 | 504.16903 | 2.106 | Isomaltotriose | HMDB: HMDB0029910, HMDB0060468 KEGG: C02160, C02493, C05404 |
| C18H32O16 | 504.16903 | 2.106 | Fagopyritol B2 | HMDB: HMDB0035322, HMDB0040181 |
| C28H28O5N2S | 504.17189 | -3.563 | 4-Cyano-N-(3-(cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta(b)pyran-3-yl)methyl)phenyl)benzenesulfonamide | HMDB: HMDB0256657 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 505.17706 |
| Splash: splash10-00dr-0009500000-ab6c07f2e6ce796b2cd4 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 324.96 | 877 | 180 | 1000 |
| 486.92 | 655 | 18 | 747 |
| 343.26 | 117 | 162 | 133 |
| 342.60 | 94 | 163 | 107 |
| 162.94 | 59 | 342 | 67 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe, 1(C-Prenyl)) | Flavanone | Amoricin |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(1OH, 1OMe) | Flavone | Scoparin 6''-O-acetate |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe, 1Geranyl)-B(2OH) | 3-substituted Flavone | Brosimone H |
| 0.000 | [Flavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH) | Flavone | Heterophyllin |
| 0.000 | [CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH) | CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone | Artocommunol CC |
| 0.000 | [CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone | Sanggenon L |
| 0.000 | [CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone | Sorocein D |
| 0.000 | [CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone | Sorocein E |
| 0.000 | [Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavonol | Broussoflavonol D |
| 0.000 | [Flavonol]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | Flavonol | Poinsettifolin A |
| 0.000 | [Flavonol]-A(1OH, 1Geranyl, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | Flavonol | Dorsmanin C |
| 0.000 | [Coumaranochromon]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Coumaranochromon | Euchretin C |
| Level: 3, プリカーサーm/z: 486.92093 |
| Splash: splash10-00fr-0079000000-931036e0f6dd30ea1ee2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 222.10 | 34 | 265 | 1000 |
| 325.24 | 34 | 162 | 999 |
| 321.78 | 7 | 165 | 201 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-2(OMe)-Galloyl)) | Flavan 3-ol | Gallocatechin 3-O-(3,5-di-O-methylgallate) |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(1(O-Coumaroyl)-(E)-4-hydroxyprenyl))-B(1OH) | 2'-Hydroxychalcone | Isogemichalcone B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(1(O-Coumaroyl)-(Z)-4-hydroxyprenyl))-B(1OH) | 2'-Hydroxychalcone | Gemichalcone B |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Artelastochromene |