ピーク情報
|
細ネギ （若香）地下部
pos
|
| Peak #949 MN MID: SE201_S21_M90 |
| m/z: 522.20252, RT: 11.99, 強度: 160310, ログ強度: 1.62, アダクト: [M+NH4]+, [M+2(CH3OH)+H]+, 共有数（同様のピークを含むサンプル数）: 26 |
| 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: 0.087 |
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 | -0.677 | 1,3-beta-D-Oligoglucan | HMDB: HMDB0029922 KEGG: C03200, C00771, C07283 |
| C18H32O16 | 504.16903 | -0.677 | Galactogen | KEGG: C01698 |
| C18H32O16 | 504.16903 | -0.677 | 1-Kestose | HMDB: HMDB0011729 KEGG: C03661 KNApSAcK: C00048937 |
| C18H32O16 | 504.16903 | -0.677 | Panose | KNApSAcK: C00050489 |
| C18H32O16 | 504.16903 | -0.677 | Maltotriose | HMDB: HMDB0246628 KNApSAcK: C00055979 |
| C18H32O16 | 504.16903 | -0.677 | alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose | HMDB: HMDB0039704 |
| C18H32O16 | 504.16903 | -0.677 | 3-beta-Gentiobiosylglucose | HMDB: HMDB0039703 |
| C18H32O16 | 504.16903 | -0.677 | O-alpha-D-Mannopyranosyl-(1-4)-O-alpha-D-mannopyranosyl-(1-4)-alpha-D-mannopyranose | HMDB: HMDB0247818 |
| C18H32O16 | 504.16903 | -0.677 | beta-D-Galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->6)-D-galactose | HMDB: HMDB0038853 |
| C18H32O16 | 504.16903 | -0.677 | Umbelliferose | HMDB: HMDB0033748 KEGG: C08251 KNApSAcK: C00001153 |
| C18H32O16 | 504.16903 | -0.677 | Planteose | HMDB: HMDB0302793 KEGG: C03848 KNApSAcK: C00001144 |
| C18H32O16 | 504.16903 | -0.677 | 1,2-beta-Oligomannan | HMDB: HMDB0040984 KEGG: C21335, C21454 |
| C18H32O16 | 504.16903 | -0.677 | Levan | HMDB: HMDB0003539 |
| C18H32O16 | 504.16903 | -0.677 | Melezitose | HMDB: HMDB0011730 KEGG: C08243 KNApSAcK: C00001141 |
| C18H32O16 | 504.16903 | -0.677 | beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->4)-D-glucopyranoside | HMDB: HMDB0029930 |
| C18H32O16 | 504.16903 | -0.677 | beta-D-Galactopyranosyl-(1->2)-[beta-D-galactopyranosyl-(1->4)]-D-galactose | HMDB: HMDB0038851 |
| C18H32O16 | 504.16903 | -0.677 | 3-Galactosyllactose | HMDB: HMDB0006599, HMDB0039706, HMDB0246251 |
| C18H32O16 | 504.16903 | -0.677 | Raffinose | HMDB: HMDB0003213, HMDB0034072 KEGG: C08239, C00492 KNApSAcK: C00001135, C00001145 |
| C18H32O16 | 504.16903 | -0.677 | 3-beta-Cellobiosylglucose | HMDB: HMDB0039708 |
| C18H32O16 | 504.16903 | -0.677 | 6-Kestose | HMDB: HMDB0033673 |
| C18H32O16 | 504.16903 | -0.677 | 6-alpha-Maltosylglucose | HMDB: HMDB0039707 KEGG: C03367, C04417 |
| C18H32O16 | 504.16903 | -0.677 | Neokestose | HMDB: HMDB0029921 |
| C18H32O16 | 504.16903 | -0.677 | 1-alpha-D-[(1->4)-alpha-D-Glucosyl](n-1)-alpha-D-glucopyranoside | KEGG: C06400 |
| C18H32O16 | 504.16903 | -0.677 | Manninotriose | HMDB: HMDB0041948, HMDB0247628 KNApSAcK: C00050475, C00051462 |
| C18H32O16 | 504.16903 | -0.677 | Galactomannan | HMDB: HMDB0029929 KEGG: C00883 |
| C18H32O16 | 504.16903 | -0.677 | Levan | HMDB: HMDB0254045 KEGG: C06215 |
| C18H32O16 | 504.16903 | -0.677 | Polysaccharide | HMDB: HMDB0001262, HMDB0006857, HMDB0038852 KEGG: C00420, C01835, C01935, C01898, C06219, C17207 |
| C18H32O16 | 504.16903 | -0.677 | Panose | HMDB: HMDB0029937 KEGG: C00713 |
| C18H32O16 | 504.16903 | -0.677 | P(k) Trisaccharide | HMDB: HMDB0242554 |
| C18H32O16 | 504.16903 | -0.677 | Isomaltotriose | HMDB: HMDB0029910, HMDB0060468 KEGG: C02160, C02493, C05404 |
| C18H32O16 | 504.16903 | -0.677 | Fagopyritol B2 | HMDB: HMDB0035322, HMDB0040181 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 522.20264 |
| Splash: splash10-004u-0019210000-1bcf336d3de2f6434a0d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 325.03 | 6163 | 197 | 1000 |
| 342.97 | 2301 | 179 | 373 |
| 486.86 | 2019 | 35 | 327 |
| 288.89 | 1229 | 233 | 199 |
| 342.31 | 1069 | 180 | 173 |
| 504.84 | 1014 | 17 | 164 |
| 324.36 | 632 | 198 | 102 |
| 258.98 | 470 | 263 | 76 |
| 485.95 | 419 | 36 | 67 |
| 504.06 | 395 | 18 | 64 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 324.96069 |
| Splash: splash10-000i-0090000000-7f7b15c2adfa989975c9 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 288.96 | 480 | 36 | 1000 |
| 271.07 | 222 | 54 | 461 |
| 258.81 | 107 | 66 | 223 |
| 307.35 | 58 | 18 | 121 |
| 246.95 | 50 | 78 | 103 |
| 229.14 | 41 | 96 | 84 |
| 126.92 | 40 | 198 | 84 |
| 210.96 | 39 | 114 | 81 |
| 252.91 | 32 | 72 | 66 |
| 162.96 | 31 | 162 | 65 |
| 287.79 | 27 | 37 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.087 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Desmethylisoxanthohumol |
| 0.077 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Licoagrochalcone A |
| 0.042 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | Glabranin |
| 0.042 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6-C-prenylflavanone |
| 0.042 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Crotaramosmin |
| 0.037 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Isobavachin |
| 0.037 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachin |
| 0.037 | [Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Abyssinone II |
| 0.037 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Isobavachalcone |
| 0.037 | [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: 342.80341 |
| Splash: splash10-001l-0900000000-0cd5b3afe9653b2d3240 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 180.03 | 21 | 163 | 1000 |
| 144.65 | 11 | 198 | 520 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(1OH)-B(3OH) | Flavone | 7,2',4',5'-Tetrahydroxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Zapotin |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Cerrosillin |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | 5,7,2',5'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Luteolin 5,7,3',4'-tetramethyl ether |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Norartocarpetin 5,7,2',4'-tetramethyl ether |
| 0.000 | [Flavone]-A(3OMe)-B(1OMe) | Flavone | Scutellarein 5,6,7,4'-tetramethyl ether |
| 0.000 | [Flavone]-A(3OMe)-B(1OMe) | Flavone | 4',5,7,8-Tetramethoxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(none) | Flavone | 5,6,7,8-Tetramethoxyflavone |
| 0.000 | [Isoflavone]-A(1OMe)-B(3OMe) | Isoflavone | 7,2',4',5'-Tetramethoxyisoflavone |
| 0.000 | [Isoflavone]-A(2OMe)-B(2OMe) | Isoflavone | 6,7,3',4'-Tetramethoxyisoflavone |
| 0.000 | [Aurone]-A(2OMe)-B(2OMe) | Aurone | 4,6,3',4'-Tetramethoxyaurone |
| 0.000 | [Chalcone]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Chalcone | 3,4-Methylenedioxy-2',4',6'-trimethoxychalcone |
| 0.000 | [alpha-Methyl-beta-oxodihydrochalcone]-A(2OMe)-B(1Oxo, 1Methyl, 1([@@]-Methylenedioxy)) | alpha-Methyl-beta-oxodihydrochalcone | Tinosporinone |
| 0.000 | [Flavanone]-A(1OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Flavanone | Brosimacutin C |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavone]-A(2OH, 2Methyl)-B(2OMe) | Flavone | 5,7-Dihydroxy-3',4'-dimethoxy-6,8-dimethylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe)-B(2OMe) | Flavonol | Fisetin tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OMe) | Flavonol | Tetramethylkaempferol |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OMe) | Flavonol | 8-Desmethylkalmiatin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OH) | Flavonol | 6,8-Di-C-methylkaempferol 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(none) | Flavonol | 3,5,6,7-Tetramethoxyflavone |
| 0.000 | [Flavonol]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Flavonol | 3-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(none) | Flavonol | 3,5,7,8-Tetramethoxyflavone |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(6-Oxopyrano)))-B(2OH) | Flavan 3-ol | Phyllocoumarin |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | 6-Hydroxy-7,2'-dimethoxy-4',5'-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Dalpatein |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Maximaisoflavone F |
| 0.000 | [Isoflavone]-A(1OH, 1OMe, 1Methyl)-B(2OMe) | Isoflavone | 5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | Isoiriskashmirianin |
| 0.000 | [Isoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Dipteryxine |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | Squarrosin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | Iriskashmirianin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | Iriskumaonin |
| 0.000 | [Isoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Platycarpanetin |
| 0.000 | [Pterocarpene]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpene | Leiocalycin |
| 0.000 | [Pterocarpene]-A(1OMe)-B(3OMe) | Pterocarpene | Bryacarpene 3 |
| 0.000 | [Rotenone]-A(1OMe)-B(2OMe) | Rotenone | Munduserone |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe, 1Formyl)-B(1OH, 1OMe) | 4-phenylcoumarin | 7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe, 1Formyl)-B(1OH, 1OMe) | 4-phenylcoumarin | Sisafolin |