ピーク情報
|
リーフレタスグリーン
pos
|
| Peak #1145 MN MID: SE198_S12_M90 |
| m/z: 381.07898, RT: 14.78, 強度: 380783, ログ強度: 2.08, アダクト: [M+K]+, 共有数（同様のピークを含むサンプル数）: 11 |
| 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: 0.107 |
|
安定同位体ラベル実験で見積もられた原子数:
N: 0
S: 0
|
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 | -1.145 | Lactulose | HMDB: HMDB0000740 KEGG: C07064 |
| C12H22O11 | 342.11621 | -1.145 | Sakebiose | HMDB: HMDB0006603, HMDB0259415 KNApSAcK: C00050493 |
| C12H22O11 | 342.11621 | -1.145 | Inulobiose | HMDB: HMDB0029898, HMDB0304763 KEGG: C01711 |
| C12H22O11 | 342.11621 | -1.145 | Trehalose | HMDB: HMDB0000975, HMDB0029880 KEGG: C01083 KNApSAcK: C00001152 |
| C12H22O11 | 342.11621 | -1.145 | Gentiobiose | HMDB: HMDB0259486 KNApSAcK: C00018660, C00053253 |
| C12H22O11 | 342.11621 | -1.145 | Turanose | HMDB: HMDB0011740, HMDB0260157 KEGG: C19636 KNApSAcK: C00053105 |
| C12H22O11 | 342.11621 | -1.145 | Melibiulose | HMDB: HMDB0247101 KEGG: C19634 KNApSAcK: C00053368 |
| C12H22O11 | 342.11621 | -1.145 | Nigerose | HMDB: HMDB0029882, HMDB0060068, HMDB0242694 KEGG: C01518, C02048, C04147, C19773, C22512 KNApSAcK: C00001137 |
| C12H22O11 | 342.11621 | -1.145 | 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 | -1.145 | Melibiose | HMDB: HMDB0000048, HMDB0002923, HMDB0006792, HMDB0038489, HMDB0248216 KEGG: C00252, C01728, C05402, C08240, C05400 KNApSAcK: C00001142 |
| C12H22O11 | 342.11621 | -1.145 | Sophorose | HMDB: HMDB0252573 KEGG: C08250, C15548, C22632, C21336 KNApSAcK: C00001149 |
| C12H22O11 | 342.11621 | -1.145 | Trehalulose | HMDB: HMDB0039727 |
| C12H22O11 | 342.11621 | -1.145 | Kojibiose | HMDB: HMDB0011742 KEGG: C19632 KNApSAcK: C00050477 |
| C12H22O11 | 342.11621 | -1.145 | Sucrose | HMDB: HMDB0000258, HMDB0246276 KEGG: C00089, C18068, C04219 KNApSAcK: C00001151 |
| C12H22O11 | 342.11621 | -1.145 | Maltulose | KEGG: C19633 |
| C12H22O11 | 342.11621 | -1.145 | beta-D-Galf-(1->5)-beta-D-galactofuranoside | KEGG: C22958 |
| C12H22O11 | 342.11621 | -1.145 | (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 | -1.145 | Palatinose | HMDB: HMDB0256083 KEGG: C01742 |
| C12H22O11 | 342.11621 | -1.145 | 4-O-beta-D-Mannopyranosyl-D-mannose | HMDB: HMDB0242553 KNApSAcK: C00053459 |
| C12H22O11 | 342.11621 | -1.145 | Difructan | KNApSAcK: C00055102 |
| C12H22O11 | 342.11621 | -1.145 | Galactinol | HMDB: HMDB0005826, HMDB0039876 KEGG: C01235 KNApSAcK: C00001162, C00038295 |
| C12H22O11 | 342.11621 | -1.145 | Levanbiose | KEGG: C01725 |
| C12H22O11 | 342.11621 | -1.145 | Glucinol | HMDB: HMDB0039237 |
| C12H22O11 | 342.11621 | -1.145 | Maltulose | HMDB: HMDB0029919 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 381.07874 |
| Splash: splash10-03di-0039000000-9178aa155607cf0f8121 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 363.00 | 2319 | 18 | 1000 |
| 219.08 | 480 | 162 | 206 |
| 201.06 | 380 | 180 | 164 |
| 275.02 | 289 | 106 | 124 |
| 319.18 | 211 | 62 | 90 |
| 344.99 | 201 | 36 | 86 |
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 |
| Level: 3, プリカーサーm/z: 362.99634 |
| Splash: splash10-00r2-0198000000-da323a1d71832db0c406 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 247.05 | 323 | 116 | 1000 |
| 319.11 | 294 | 44 | 910 |
| 274.99 | 229 | 88 | 708 |
| 345.11 | 194 | 18 | 601 |
| 301.03 | 134 | 62 | 413 |
| 184.92 | 89 | 178 | 275 |
| 273.07 | 57 | 90 | 177 |
| 335.08 | 39 | 28 | 121 |
| 282.74 | 35 | 80 | 106 |
| 257.07 | 34 | 106 | 104 |
| 212.89 | 27 | 150 | 85 |
| 200.88 | 21 | 162 | 65 |
| 157.02 | 19 | 206 | 59 |
| 187.01 | 19 | 176 | 57 |
| 317.05 | 17 | 46 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.107 | [Flavonol]-A(2OH, 2OMe)-B(2OH) | Flavonol | 3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone |
| 0.069 | [Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 3,5,7,3',5'-Pentahydroxy-6,4'-dimethoxyflavone |
| 0.069 | [Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 8,3'-dimethyl ether |
| 0.040 | [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 | [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 |