ピーク情報
|
リーフレタスグリーン
pos
|
| Peak #1707 MN MID: SE198_S12_M90 |
| m/z: 330.17567, RT: 25.73, 強度: 4536, ログ強度: 0.16, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: Olanzapine |
| DBごとのヒット数: ALL 1 KG 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.034 |
|
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 |
|---|---|---|---|---|
| C17H20N4S | 312.14087 | 3.130 | Olanzapine | HMDB: HMDB0005012 KEGG: C07322 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 330.17563 |
| Splash: splash10-03di-0219000000-988282a8c7ab4191392b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 312.79 | 949 | 17 | 1000 |
| 151.08 | 141 | 179 | 148 |
| 286.05 | 100 | 44 | 105 |
| 198.11 | 80 | 132 | 84 |
| 320.98 | 71 | 9 | 74 |
| 285.29 | 57 | 45 | 60 |
| 311.36 | 55 | 19 | 57 |
| 167.98 | 54 | 162 | 56 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 313.02692 |
| Splash: splash10-0udi-0930000000-0355c575789a0e2f9a7c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 151.06 | 46 | 162 | 1000 |
| 293.81 | 6 | 19 | 124 |
| 268.19 | 5 | 45 | 116 |
| 284.89 | 5 | 28 | 112 |
| 191.17 | 5 | 122 | 108 |
| 198.04 | 5 | 115 | 98 |
| 207.30 | 3 | 106 | 70 |
| 168.07 | 3 | 145 | 68 |
| 215.03 | 3 | 98 | 67 |
| 146.10 | 2 | 167 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.071 | [Coumestan]-A(1OH)-B(2OMe) | Coumestan | 3-Hydroxy-8,9-dimethoxycoumestan |
| 0.071 | [Coumestan]-A(1OH)-B(2OMe) | Coumestan | Wairol |
| 0.034 | [Isoflavone]-A(1OMe)-B(2OMe) | Isoflavone | Cabreuvin |
| 0.000 | [Flavone]-A(1OMe)-B(2OMe) | Flavone | 7,3',4'-Trimethoxyflavone |
| 0.000 | [Flavone]-A(1OMe)-B(2OMe) | Flavone | 7,2',4'-Trimethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(1OMe) | Flavone | 5,6,2'-Trimethoxyflavone |
| 0.000 | [Flavone]-A(1OMe)-B(2OMe) | Flavone | 6,2',3'-Trimethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(1OMe) | Flavone | 5,6,3'-Trimethoxyflavone |
| 0.000 | [Flavone]-A(none)-B(3OMe) | Flavone | 3',4',5'-Trimethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(1OMe) | Flavone | 5,7,2'-Trimethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(1OMe) | Flavone | Apigenin 5,7,4'-trimethyl ether |
| 0.000 | [Flavone]-A(3OMe)-B(none) | Flavone | Baicalein 5,6,7-trimethyl ether |
| 0.000 | [Flavone]-A(3OMe)-B(none) | Flavone | Norwogonin 5,7,8-trimethyl ether |
| 0.000 | [Chalcone]-A(none)-B(2OH, 1OMe, 1Formyl, 1Methyl) | Chalcone | 3-Formyl-4,6-dihydroxy-2-methoxy-5-methylchalcone |
| 0.000 | [Chalcone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Chalcone | 3,4-Methylenedioxy-2',4'-dimethoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Formyl, 1Methyl)-B(none) | 2'-Hydroxychalcone | Leridal chalcone |
| 0.000 | [Chalcone]-A(2OMe, 1([@@]-Methylenedioxy))-B(none) | Chalcone | Helilandin A |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Galiposin |
| 0.000 | [UBR-type derivative / 2',6'-Dioxo-3'-enyl-0-hydroxy-type Chalcone]-A(1OMe, 3Methyl)-B(none) | UBR-type derivative / 2',6'-Dioxo-3'-enyl-0-hydroxy-type Chalcone | Desmosdumotin C |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Formyl, 1Methyl)-B(none) | Flavanone | Leridal |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Formyl, 1Methyl)-B(none) | Flavanone | Desmosflavanone II |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Flavone | Prosogerin A |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 6-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH) | Flavone | 5,2'-Dihydroxy-7-methoxy- 6,8-dimethylflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OMe) | Flavone | 8-Demethyleucalyptin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH) | Flavone | Sideroxylin |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH)-B(1([@@]-Methylenedioxy)) | Flavonol | 3-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(none) | Flavonol | Galangin 3,5,7-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(none) | Flavonol | 5,7-Dihydroxy-3-methoxy-6,8-dimethylflavone |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 2Methyl)-B(none) | Flavonol | 3,5-Dihydroxy-7-methoxy-6,8-dimethylflavone |
| 0.000 | [Isoflavone]-A(1OH)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Cuneatin |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Fujikinetin |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Maximaisoflavone E |
| 0.000 | [Isoflavone]-A(1OH, 1OMe, 1Methyl)-B(1OMe) | Isoflavone | 7-Hydroxy-5,4'-dimethoxy-8-methylisoflavone |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH) | Isoflavone | Betavulgarin |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OMe) | Isoflavone | Irisone A |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH) | Isoflavone | Irisolone |
| 0.000 | [UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene]-A(1OMe)-B(1OMe) | UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene | 4-Deoxybryaquinone |
| 0.000 | [Pterocarpene]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpene | 3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene |
| 0.000 | [Pterocarpene]-A(1OMe)-B(2OMe) | Pterocarpene | Bryacarpene 5 |
| 0.000 | [6-Hydroxydehydrorotenone]-A(2OH, 1Methyl)-B(none) | 6-Hydroxydehydrorotenone | Boeravinone B |
| 0.000 | [4-phenylcoumarin]-A(2OMe)-B(1OMe) | 4-phenylcoumarin | 5,7,4'-Trimethoxy-4-phenylcoumarin |
| 0.000 | [CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OMe)-B(1OH, 1OMe) | CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin | 5'-Hydroxy-7,4'-dimethoxy-5,2'-oxido-4-phenylcoumarin |