ピーク情報
|
（かんきつ類） すだち 果皮 生
pos
|
| Peak #591 MN MID: SE120_S070781_M90 |
| m/z: 381.07920, RT: 12.05, 強度: 28424, ログ強度: 0.95, アダクト: [M+K]+, 共有数（同様のピークを含むサンプル数）: 171 |
| DB検索結果: (25 names) Lactulose;Sakebiose;Nigerose;Inulobiose;Trehalose;Turanose;Gentiobiose;Isomaltulose;Sakebiose;Lactose;Melibiose;Sophorose;Trehalulose;Kojibiose;Sucrose;Maltulose;4-O-alpha-D-Glucopyranosyl-D-fructose;... |
| DBごとのヒット数: ALL 23 KG 15 KN 4 HM 4 |
| 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 |
|---|---|---|---|---|
| C12H22O11 | 342.11621 | -0.494 | Lactulose | HMDB: HMDB0000740 KEGG: C07064 |
| C12H22O11 | 342.11621 | -0.494 | Sakebiose | HMDB: HMDB0006603, HMDB0259415 KNApSAcK: C00050493 |
| C12H22O11 | 342.11621 | -0.494 | Inulobiose | HMDB: HMDB0029898, HMDB0304763 KEGG: C01711 |
| C12H22O11 | 342.11621 | -0.494 | Trehalose | HMDB: HMDB0000975, HMDB0029880 KEGG: C01083 KNApSAcK: C00001152 |
| C12H22O11 | 342.11621 | -0.494 | Gentiobiose | HMDB: HMDB0259486 KNApSAcK: C00018660, C00053253 |
| C12H22O11 | 342.11621 | -0.494 | Turanose | HMDB: HMDB0011740, HMDB0260157 KEGG: C19636 KNApSAcK: C00053105 |
| C12H22O11 | 342.11621 | -0.494 | Melibiulose | HMDB: HMDB0247101 KEGG: C19634 KNApSAcK: C00053368 |
| C12H22O11 | 342.11621 | -0.494 | Nigerose | HMDB: HMDB0029882, HMDB0060068, HMDB0242694 KEGG: C01518, C02048, C04147, C19773, C22512 KNApSAcK: C00001137 |
| C12H22O11 | 342.11621 | -0.494 | beta-Lactose | HMDB: HMDB0000055, HMDB0000163, HMDB0000186, HMDB0029902, HMDB0029933, HMDB0033368, HMDB0037138, HMDB0041627, HMDB0246552 KEGG: C01970, C01971, C06422, C20861, C00185, C00208, C00897, C02964, C00243, C06421, C20236, C22492 KNApSAcK: C00001134, C00001136, C00001140, C00050427 |
| C12H22O11 | 342.11621 | -0.494 | Melibiose | HMDB: HMDB0000048, HMDB0002923, HMDB0006792, HMDB0038489, HMDB0248216 KEGG: C00252, C01728, C05402, C08240, C05400 KNApSAcK: C00001142 |
| C12H22O11 | 342.11621 | -0.494 | Sophorose | HMDB: HMDB0252573 KEGG: C08250, C15548, C22632, C21336 KNApSAcK: C00001149 |
| C12H22O11 | 342.11621 | -0.494 | Trehalulose | HMDB: HMDB0039727 |
| C12H22O11 | 342.11621 | -0.494 | Kojibiose | HMDB: HMDB0011742 KEGG: C19632 KNApSAcK: C00050477 |
| C12H22O11 | 342.11621 | -0.494 | Sucrose | HMDB: HMDB0000258, HMDB0246276 KEGG: C00089, C18068, C04219 KNApSAcK: C00001151 |
| C12H22O11 | 342.11621 | -0.494 | Maltulose | KEGG: C19633 |
| C12H22O11 | 342.11621 | -0.494 | beta-D-Galf-(1->5)-beta-D-galactofuranoside | KEGG: C22958 |
| C12H22O11 | 342.11621 | -0.494 | (3S,4R,5S)-3,4,5,6-Tetrahydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one | HMDB: HMDB0260158 |
| C12H22O11 | 342.11621 | -0.494 | Palatinose | HMDB: HMDB0256083 KEGG: C01742 |
| C12H22O11 | 342.11621 | -0.494 | 4-O-beta-D-Mannopyranosyl-D-mannose | HMDB: HMDB0242553 KNApSAcK: C00053459 |
| C12H22O11 | 342.11621 | -0.494 | Difructan | KNApSAcK: C00055102 |
| C12H22O11 | 342.11621 | -0.494 | Galactinol | HMDB: HMDB0005826, HMDB0039876 KEGG: C01235 KNApSAcK: C00001162, C00038295 |
| C12H22O11 | 342.11621 | -0.494 | Levanbiose | KEGG: C01725 |
| C12H22O11 | 342.11621 | -0.494 | Glucinol | HMDB: HMDB0039237 |
| C12H22O11 | 342.11621 | -0.494 | Maltulose | HMDB: HMDB0029919 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 381.07852 |
| Splash: splash10-0gb9-0090000000-ffa355672b3252cf97bd |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 218.96 | 597 | 162 | 1000 |
| 200.86 | 458 | 180 | 767 |
| 172.84 | 41 | 208 | 67 |
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 |