ピーク情報
|
リーフレタスグリーン
pos
|
| Peak #8900 MN MID: SE198_S12_M90 |
| m/z: 291.14397, RT: 51.12, 強度: 67626, ログ強度: 1.33, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (2 names) Trimethoprim;Benomyl |
| DBごとのヒット数: ALL 2 KG 2 |
| FlavonoidSearch最大スコア MS2: 0.167, MS3: 0.222 |
|
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 |
|---|---|---|---|---|
| C14H18O3N4 | 290.13789 | -4.132 | Trimethoprim | HMDB: HMDB0014583 KEGG: C01965 |
| C14H18O3N4 | 290.13789 | -4.132 | Benomyl | HMDB: HMDB0031767 KEGG: C10896 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 291.14383 |
| Splash: splash10-00di-0090000000-8c5d4fdd8d95c0e88bcb |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 273.03 | 68225 | 18 | 1000 |
| 254.95 | 4440 | 36 | 65 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.167 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | Mesquitol |
| 0.167 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | 2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol |
| 0.167 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | 3,5,7,3',5'-Pentahydroxyflavan |
| 0.167 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | Catechin |
| 0.167 | [Flavan 3-ol]-A(1OH)-B(3OH) | Flavan 3-ol | Robinetinidol |
| 0.000 | [Dihydrochalcone]-A(3OH)-B(2OH) | Dihydrochalcone | 3,4,2',4',6'-Pentahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(3OH)-B(1OH) | Dihydrochalcone alpha-ol | Nubigenol |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(2OH) | Dihydrochalcone alpha-ol | 3,4,2',4',alpha-Pentahydroxydihydrochalcone |
| 0.000 | [Flavan 4-ol]-A(2OH)-B(2OH) | Flavan 4-ol | Luteoforol |
| 0.000 | [Flavan 3,4-diol]-A(1OH)-B(2OH) | Flavan 3,4-diol | 3,4,7,3',4'-Pentahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH) | Flavan 3,4-diol | 3,4,7,8,4'-Pentahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH) | Flavan 3,4-diol | 3,4,5,7,4'-Pentahydroxyflavan |
| Level: 3, プリカーサーm/z: 273.07318 |
| Splash: splash10-0udi-0920000000-91ec644721afd73e60ad |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 151.04 | 7114 | 122 | 1000 |
| 254.96 | 4082 | 18 | 573 |
| 168.99 | 3618 | 104 | 508 |
| 186.98 | 3402 | 86 | 478 |
| 123.05 | 1310 | 150 | 184 |
| 132.96 | 833 | 140 | 117 |
| 140.89 | 789 | 132 | 110 |
| 236.96 | 405 | 36 | 56 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.182 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Vestitol |
| 0.182 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Isovestitol |
| 0.182 | [Isoflavan]-A(1OMe)-B(2OH) | Isoflavan | Neovestitol |
| 0.133 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
| 0.125 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
| 0.125 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
| 0.091 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
| 0.091 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
| 0.083 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
| 0.077 | [Pterocarpan]-A(2OH)-B(1OH) | Pterocarpan | 4-Hydroxydemethylmedicarpin |
| 0.063 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
| 0.059 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,8,4'-Trihydroxyflavanone |
| 0.059 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,2'-Trihydroxyflavanone |
| 0.059 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,3'-Trihydroxyflavanone |
| 0.059 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | Naringenin |
| 0.053 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
| 0.053 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
| 0.053 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
| 0.053 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
| 0.050 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
| 0.050 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | Uvangoletin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | Loureirin C |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | 2,4'-Dihydroxy-4-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone | 4'-O-Methyldavidigenin |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Licodione |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',4',6',beta-Tetrahydroxychalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1Methyl)-B(none) | Dihydrochalcone | 3'-Methyl-2',4',6'-trihydroxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(none) | 2-Hydroxyflavanone | 2,5,7-Trihydroxyflavanone (2beta) |
| 0.000 | [Flavan]-A(1OMe)-B(2OH) | Flavan | 3',4'-Dihydroxy-7-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,4'-Dihydroxy-3'-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,3'-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(1OMe) | Flavan | 5,7-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH) | Pterocarpan-6a-ol | Glycinol |
| 0.000 | [alpha-Methyldeoxybenzoin]-A(2OH)-B(1OMe) | alpha-Methyldeoxybenzoin | Angolensin |
| Level: 3, プリカーサーm/z: 254.93903 |
| Splash: splash10-0udi-0900000000-c621fed90462f75ed9f0 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 151.08 | 233 | 104 | 1000 |
| 133.06 | 80 | 122 | 342 |
| 122.98 | 31 | 132 | 134 |
| 109.06 | 31 | 146 | 132 |
| 187.21 | 19 | 68 | 83 |
| 143.04 | 16 | 112 | 67 |
| 210.76 | 15 | 44 | 65 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.059 | [Chalcone]-A(1OH, 1OMe)-B(none) | Chalcone | 4'-Hydroxy-2'-methoxychalcone |
| 0.059 | [Flavanone]-A(1OMe)-B(none) | Flavanone | 7-Methoxyflavanone |
| 0.056 | [Isoflavone]-A(2OH)-B(none) | Isoflavone | 5,7-Dihydroxyisoflavone |
| 0.056 | [Isoflavone]-A(1OH)-B(1OH) | Isoflavone | Daidzein |
| 0.056 | [Isoflavone]-A(1OH)-B(1OH) | Isoflavone | 8,4'-Dihydroxyisoflavone |
| 0.000 | [Flavone]-A(1OH)-B(1OH) | Flavone | 7,2'-Dihydroxyflavone |
| 0.000 | [Flavone]-A(1OH)-B(1OH) | Flavone | 7,4'-Dihydroxyflavone |
| 0.000 | [Flavone]-A(1OH)-B(1OH) | Flavone | 5,2'-Dihydroxyflavone |
| 0.000 | [Flavone]-A(1OH)-B(1OH) | Flavone | 8,2'-Dihydroxyflavone |
| 0.000 | [Flavone]-A(2OH)-B(none) | Flavone | Primetin |
| 0.000 | [Flavone]-A(2OH)-B(none) | Flavone | Chrysin |
| 0.000 | [Flavone]-A(none)-B(2OH) | Flavone | 2',5'-Dihydroxyflavone |
| 0.000 | [Flavone]-A(none)-B(2OH) | Flavone | 3',4'-Dihydroxyflavone |
| 0.000 | [Flavonol]-A(1OH)-B(none) | Flavonol | 3,7-Dihydroxyflavone |
| 0.000 | [Aurone]-A(1OH)-B(1OH) | Aurone | Hispidol |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH)-B(1OH) | 3-DehydroxyAnthocyanidin | Apigeninidin |
| 0.000 | [Pterocarpene]-A(1OH)-B(1OH) | Pterocarpene | Anhydroglycinol |
| 0.000 | [3-substituted 2-Phenylbenzofuran (3-Methyl)]-A(1OH, 1OMe)-B(none) | 3-substituted 2-Phenylbenzofuran | Parvifuran |
| 0.000 | [4-phenylcoumarin]-A(2OH)-B(none) | 4-phenylcoumarin | Nordalbergin |
| 0.000 | [4-phenylcoumarin]-A(2OH)-B(none) | 4-phenylcoumarin | Serratin |
| 0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(none) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 4-Methoxydalbergione |
| 0.000 | [Neoflavene]-A(1OH, 1OMe)-B(none) | Neoflavene | Dalbergichromene |