ピーク情報
|
リーフレタスグリーン
pos
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| Peak #4375 MN MID: SE198_S12_M90 |
| m/z: 537.19755, RT: 37.05, 強度: 14210, ログ強度: 0.66, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (25 names) Phellavin;Scrophuloside A1;(-)-Scrophuloside A1;(-)-Nortracheloside;8-Hydroxypinoresinol 8-glucoside;Alboside III;(-)-Alboside III;7-O-(4-Methoxycinnamoyl)tecomoside;Cucurbitoside A;Lysidiside N;(-)-L... |
| DBごとのヒット数: ALL 17 KN 15 HM 2 |
| FlavonoidSearch最大スコア MS2: 0.111, MS3: 0.273 |
|
安定同位体ラベル実験で見積もられた原子数:
N: 0
S: 0
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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 |
|---|---|---|---|---|
| C26H32O12 | 536.18938 | 1.674 | Scrophuloside A1 | KNApSAcK: C00049594 |
| C26H32O12 | 536.18938 | 1.674 | (-)-Nortracheloside | KNApSAcK: C00000629 |
| C26H32O12 | 536.18938 | 1.674 | 1-Hydroxypinoresinol 1-glucoside | HMDB: HMDB0033281 KNApSAcK: C00036439 |
| C26H32O12 | 536.18938 | 1.674 | Alboside III | KNApSAcK: C00038403 |
| C26H32O12 | 536.18938 | 1.674 | 7-O-(4-Methoxycinnamoyl)tecomoside | KNApSAcK: C00010714 |
| C26H32O12 | 536.18938 | 1.674 | Cucurbitoside A | KNApSAcK: C00031698 |
| C26H32O12 | 536.18938 | 1.674 | Isolariciresinol glucuronide | HMDB: HMDB0240735 |
| C26H32O12 | 536.18938 | 1.674 | Lysidiside N | KNApSAcK: C00039678, C00039679 |
| C26H32O12 | 536.18938 | 1.674 | Lysidiside P | KNApSAcK: C00039680 |
| C26H32O12 | 536.18938 | 1.674 | Caudatoside B | KNApSAcK: C00045736 |
| C26H32O12 | 536.18938 | 1.674 | 8-Hydroxypinoresinol 4-glucoside | HMDB: HMDB0033282 |
| C26H32O12 | 536.18938 | 1.674 | Bidenlignaside A | KNApSAcK: C00029826 |
| C26H32O12 | 536.18938 | 1.674 | Luzonoside C | KNApSAcK: C00043687, C00043688 |
| C26H32O12 | 536.18938 | 1.674 | Caudatoside A | KNApSAcK: C00045735 |
| C26H32O12 | 536.18938 | 1.674 | Marinoid B | KNApSAcK: C00048767 |
| C26H32O12 | 536.18938 | 1.674 | Phellavin | FlavonoidViewer: FL4DAAGI0002 KNApSAcK: C00008728 |
| C26H32O12 | 536.18938 | 1.674 | 5-Hydroxy-6,7,3',4',5'-pentamethoxyflavanone 5-O-rhamnoside | FlavonoidViewer: FL2FEGGS0001 KNApSAcK: C00008361 LipidMAPS: LMPK12140634 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 537.19751 |
| Splash: splash10-004i-0009000000-da85fe04207f66990b32 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 375.19 | 2488 | 162 | 1000 |
| 357.23 | 804 | 180 | 323 |
| 181.08 | 165 | 356 | 66 |
| 519.20 | 137 | 18 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.111 | [Flavone]-A(2OH, 1OMe, 1(C-Glu))-B(3OMe) | Flavone | 5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone 6-C-glucoside |
| 0.111 | [Isoflavone]-A(2OH, 1OMe, 1(C-Glu))-B(3OMe) | Isoflavone | Dalpaniculin |
| Level: 3, プリカーサーm/z: 375.14618 |
| Splash: splash10-0a4i-0509000000-3cd3c5ed85158cfbe5ff |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 357.17 | 616 | 18 | 1000 |
| 181.02 | 204 | 194 | 331 |
| 136.91 | 85 | 238 | 138 |
| 167.09 | 53 | 208 | 85 |
| 221.05 | 46 | 154 | 75 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.273 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(3OMe) | 2'-Hydroxychalcone | 2'-Hydroxy-3,4,5,4',6'-pentamethoxychalcone |
| 0.273 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(3OMe) | 2'-Hydroxychalcone | Rubone |
| 0.231 | [Flavanone]-A(2OMe)-B(3OMe) | Flavanone | 5,7,2',3',4'-Pentamethoxyflavanone |
| 0.105 | [Flavonol]-A(1OH, 1OMe)-B(3OMe) | Flavonol | 3,5-Dihydroxy-7,3',4',5'-tetramethoxyflavone |
| 0.087 | [Isoflavone]-A(2OH, 1OMe)-B(3OMe) | Isoflavone | Junipegenin C |
| 0.087 | [Isoflavone]-A(2OH, 1OMe)-B(3OMe) | Isoflavone | Caviunin |
| 0.087 | [Isoflavone]-A(2OH, 1OMe)-B(3OMe) | Isoflavone | Isocaviunin |
| 0.077 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(2OMe) | 2'-Hydroxychalcone | 6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone |
| 0.077 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(2OMe) | 2'-Hydroxychalcone | 2'-Hydroxy-3',4',6',3,4-pentamethoxychalcone |
| 0.067 | [Flavanone]-A(4OMe)-B(1OMe) | Flavanone | 5,6,7,8,4'-Pentamethoxyflavanone |
| 0.067 | [Flavanone]-A(3OMe)-B(2OMe) | Flavanone | 5,6,7,3',4'-Pentamethoxyflavanone |
| 0.050 | [Flavonol]-A(1OH, 2OMe)-B(2OMe) | Flavonol | Quercetagetin 6,7,3'4'-tetramethyl ether |
| 0.050 | [Flavonol]-A(1OH, 2OMe)-B(2OMe) | Flavonol | Gossypetin 7,8,3',4'-tetramethyl ether |
| 0.042 | [Isoflavone]-A(1OH, 3OMe)-B(1OH, 1OMe) | Isoflavone | 5,3'-Dihydroxy-6,7,8,2'-tetramethoxyisoflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OH, 3OMe) | Flavone | 5,3'-Dihydroxy-7,2',4',5'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OH, 3OMe) | Flavone | 5,4'-Dihydroxy-7,2',3',5'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(2OH)-B(4OMe) | Flavone | 5,7-Dihydroxy-2',3',4',5'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(3OMe) | Flavone | Arteanoflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavone | 5,4'-Dihidroxy-6,7,3',5'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavone | 5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(3OMe) | Flavone | Tabularin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavone | 5,3'-Dihydroxy-7,8,4',5'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(3OMe) | Flavone | 5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavone | 5,4'-Dihidroxy-7,8,2',3'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavone | Skullcapflavone II |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavone | 8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavone | 7-Methylsudachitin |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavone | Gardenin D |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OMe) | Flavone | Hymenoxin |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OMe) | Flavone | Pebrellin |
| 0.000 | [Flavonol]-A(1OH, 3OMe)-B(1OMe) | Flavonol | Eriostemin |
| 0.000 | [Flavonol]-A(1OH, 3OMe)-B(1OMe) | Flavonol | 3,5-Dihydroxy-6,7,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol]-A(3OMe)-B(1OH, 1OMe) | Flavonol | Eupatoretin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Spinochalcone C |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(none) | 2'-Hydroxychalcone | Spinochalcone B |
| 0.000 | [Flavanone]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | 8-C-Prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone |
| 0.000 | [Flavanone]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Maximaflavanone A |
| 0.000 | [Flavanone]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(2OH) | Flavanone | 6-C-(3-Hydroxyisopentyl)eriodictyol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Dihydroflavonol | 8-(3-hydroxy-3-methylbutyl)aromadendrin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Dihydroflavonol | 6-(3-Hydroxy-3-methylbutyl)aromadendrin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(3-Oxobutyl))-B(2OH) | Dihydroflavonol | 6-(3''-Oxobutyl)taxifolin |
| 0.000 | [Dihydroflavonol]-A(1OH, 2OMe)-B(1OH)-C(1(O-Acetyl)) | Dihydroflavonol | 3,5,2'-Trihydroxy-7,8-dimethoxyflavanone 3-O-acetate |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(3OMe) | Flavonol | Myricetin 3,3',4',5'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Myricetin 3,7,3',4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,5'-Dihydroxy-3,7,3',4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Myricetin 3,7,3',5'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(2OH, 1OMe) | Flavonol | 6,8-Di-C-methylmyricetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(2OH, 1OMe) | Flavonol | 5-O-Methyloxyayanin-A |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Chrysosplenol G |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Chrysosplenol E |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 6,5'-Dihydroxy-3,7,2',4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,5,6,3'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,5,7,3'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,5,7,4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OMe) | Flavonol | Bonanzin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavonol | Chrysosplenetin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavonol | Casticin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OMe) | Flavonol | Quercetagetin 3,7,3',4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe, 1Methyl)-B(2OH) | Flavonol | 8-C-Methylquercetagetin 3,6,7-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe, 1Methyl)-B(1OH, 1OMe) | Flavonol | 8-C-Methylquercetagetin 3,6,3'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavonol | Chrysosplin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 5,5'-Dihydroxy-3,7,8,2'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,5,8,3'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OMe) | Flavonol | Gossypetin 3,7,3',4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavonol | Ternatin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,7,8,4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OMe) | Flavonol | Gossypetin 3,8,3',4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 5,4'-Dihydroxy-3,7,8,2'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH) | Flavonol | 7,4'-Dihydroxy-3,5,6,8-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OMe) | Flavonol | 5,8-Dihydroxy-3,6,7,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH) | Flavonol | Calycopterin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OMe) | Flavonol | Araneosol |
| 0.000 | [Flavonol]-A(2OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Melinervin |
| 0.000 | [4-substituted Flavan (4-(4-Hydroxystyryl))]-A(1OMe)-B(1OH) | 4-substituted Flavan | 4'-Hydroxy-4-(4-hydroxystyryl)-7-methoxyflavan |
| 0.000 | [6-Hydroxyrotenone]-A(1OH, 1OMe)-B(2OMe) | 6-Hydroxyrotenone | Dihydrostemonal |