ピーク情報
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いんげんまめ 全粒 乾
pos
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| Peak #391 MN MID: SE169_S040071_M90 |
| m/z: 505.17628, RT: 11.32, 強度: 336451, ログ強度: 1.98, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 157 |
| 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: 0.136 |
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 | -0.053 | 1,3-beta-D-Oligoglucan | HMDB: HMDB0029922 KEGG: C03200, C00771, C07283 |
| C18H32O16 | 504.16903 | -0.053 | Galactogen | KEGG: C01698 |
| C18H32O16 | 504.16903 | -0.053 | 1-Kestose | HMDB: HMDB0011729 KEGG: C03661 KNApSAcK: C00048937 |
| C18H32O16 | 504.16903 | -0.053 | Panose | KNApSAcK: C00050489 |
| C18H32O16 | 504.16903 | -0.053 | Maltotriose | HMDB: HMDB0246628 KNApSAcK: C00055979 |
| C18H32O16 | 504.16903 | -0.053 | alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose | HMDB: HMDB0039704 |
| C18H32O16 | 504.16903 | -0.053 | 3-beta-Gentiobiosylglucose | HMDB: HMDB0039703 |
| C18H32O16 | 504.16903 | -0.053 | O-alpha-D-Mannopyranosyl-(1-4)-O-alpha-D-mannopyranosyl-(1-4)-alpha-D-mannopyranose | HMDB: HMDB0247818 |
| C18H32O16 | 504.16903 | -0.053 | beta-D-Galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->6)-D-galactose | HMDB: HMDB0038853 |
| C18H32O16 | 504.16903 | -0.053 | Umbelliferose | HMDB: HMDB0033748 KEGG: C08251 KNApSAcK: C00001153 |
| C18H32O16 | 504.16903 | -0.053 | Planteose | HMDB: HMDB0302793 KEGG: C03848 KNApSAcK: C00001144 |
| C18H32O16 | 504.16903 | -0.053 | 1,2-beta-Oligomannan | HMDB: HMDB0040984 KEGG: C21335, C21454 |
| C18H32O16 | 504.16903 | -0.053 | Levan | HMDB: HMDB0003539 |
| C18H32O16 | 504.16903 | -0.053 | Melezitose | HMDB: HMDB0011730 KEGG: C08243 KNApSAcK: C00001141 |
| C18H32O16 | 504.16903 | -0.053 | beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside | HMDB: HMDB0029930 |
| C18H32O16 | 504.16903 | -0.053 | beta-D-Galactopyranosyl-(1->2)-[beta-D-galactopyranosyl-(1->4)]-D-galactose | HMDB: HMDB0038851 |
| C18H32O16 | 504.16903 | -0.053 | 3-Galactosyllactose | HMDB: HMDB0006599, HMDB0039706, HMDB0246251 |
| C18H32O16 | 504.16903 | -0.053 | Raffinose | HMDB: HMDB0003213, HMDB0034072 KEGG: C08239, C00492 KNApSAcK: C00001135, C00001145 |
| C18H32O16 | 504.16903 | -0.053 | 3-beta-Cellobiosylglucose | HMDB: HMDB0039708 |
| C18H32O16 | 504.16903 | -0.053 | 6-Kestose | HMDB: HMDB0033673 |
| C18H32O16 | 504.16903 | -0.053 | 6-alpha-Maltosylglucose | HMDB: HMDB0039707 KEGG: C03367, C04417 |
| C18H32O16 | 504.16903 | -0.053 | Neokestose | HMDB: HMDB0029921 |
| C18H32O16 | 504.16903 | -0.053 | 1-alpha-D-[(1->4)-alpha-D-Glucosyl](n-1)-alpha-D-glucopyranoside | KEGG: C06400 |
| C18H32O16 | 504.16903 | -0.053 | Manninotriose | HMDB: HMDB0041948, HMDB0247628 KNApSAcK: C00050475, C00051462 |
| C18H32O16 | 504.16903 | -0.053 | Galactomannan | HMDB: HMDB0029929 KEGG: C00883 |
| C18H32O16 | 504.16903 | -0.053 | Levan | HMDB: HMDB0254045 KEGG: C06215 |
| C18H32O16 | 504.16903 | -0.053 | Polysaccharide | HMDB: HMDB0001262, HMDB0006857, HMDB0038852 KEGG: C00420, C01835, C01935, C01898, C06219, C17207 |
| C18H32O16 | 504.16903 | -0.053 | Panose | HMDB: HMDB0029937 KEGG: C00713 |
| C18H32O16 | 504.16903 | -0.053 | P(k) Trisaccharide | HMDB: HMDB0242554 |
| C18H32O16 | 504.16903 | -0.053 | Isomaltotriose | HMDB: HMDB0029910, HMDB0060468 KEGG: C02160, C02493, C05404 |
| C18H32O16 | 504.16903 | -0.053 | Fagopyritol B2 | HMDB: HMDB0035322, HMDB0040181 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 505.17578 |
| Splash: splash10-0079-0109600000-ffa6534043ee8b929154 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 324.87 | 1762 | 180 | 1000 |
| 487.02 | 1485 | 18 | 843 |
| 342.49 | 450 | 163 | 255 |
| 486.37 | 428 | 19 | 242 |
| 343.11 | 405 | 162 | 229 |
| 162.93 | 376 | 342 | 213 |
| 324.08 | 147 | 181 | 83 |
| 306.55 | 105 | 199 | 59 |
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: 324.86688 |
| Splash: splash10-03dl-0910000000-bcfd94645508815fad9b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 162.95 | 46 | 162 | 1000 |
| 144.88 | 30 | 180 | 643 |
| 126.98 | 9 | 198 | 185 |
| 271.06 | 8 | 54 | 169 |
| 241.19 | 8 | 84 | 168 |
| 96.89 | 6 | 228 | 137 |
| 306.91 | 4 | 18 | 91 |
| 117.14 | 3 | 208 | 75 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.136 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Licoagrochalcone A |
| 0.100 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | Glabranin |
| 0.100 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6-C-prenylflavanone |
| 0.100 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Crotaramosmin |
| 0.100 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Desmethylisoxanthohumol |
| 0.087 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Isobavachin |
| 0.087 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachin |
| 0.087 | [Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Abyssinone II |
| 0.087 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Isobavachalcone |
| 0.087 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Broussochalcone B |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan | 2-Prenyldemethylmedicarpin |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 8-Prenyldemethylmedicarpin |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | Phaseollidin |
| 0.000 | [Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Chalcone | Crotmadine |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin E |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin F |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin C |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Dorsmanin A |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none) | Dihydrochalcone | 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone |
| 0.000 | [Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavanone | 7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone |
| 0.000 | [Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavanone | 5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe) | Isoflavanone | Neoraunone |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | Isoflavan | Crotmarine |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavan | Glabridin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Phaseollinisoflavan |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe) | Pterocarpan | Ambonane |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Neobanol |
| Level: 3, プリカーサーm/z: 487.01935 |
| Splash: splash10-004i-0009000000-0d15883b00f342958212 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 325.08 | 13 | 162 | 1000 |
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 |