ピーク情報
|
リーフレタスグリーン
pos
|
| Peak #4597 MN MID: SE198_S12_M90 |
| m/z: 371.20669, RT: 37.79, 強度: 14955, ログ強度: 0.68, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 5 |
| DB検索結果: (3 names) 5-Megastigmen-7-yne-3,9-diol 3-glucoside;Dearabinosyl pneumonanthoside;5-Megastigmen-7-yne-3,9-diol 9-glucoside |
| DBごとのヒット数: ALL 3 KN 1 HM 2 |
| FlavonoidSearch最大スコア MS2: 0.083, MS3: - |
|
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 |
|---|---|---|---|---|
| C19H30O7 | 370.19915 | 0.696 | (2E,6E,10R)-11-(2',4'-dihydroxy-3'-methylenebutoxy)-10-hydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid methyl ester | LipidMAPS: LMPR0103010032 |
| C19H30O7 | 370.19915 | 0.696 | 5-Megastigmen-7-yne-3,9-diol 3-glucoside | HMDB: HMDB0032842 |
| C19H30O7 | 370.19915 | 0.696 | Dearabinosyl pneumonanthoside | HMDB: HMDB0036822 KNApSAcK: C00040935, C00045497, C00048245, C00048246 |
| C19H30O7 | 370.19915 | 0.696 | (2E,6E,10R)-11-(3â²,4â²-dihydroxy-2â²-methylenebutoxy)-10-hydroxy-3,7,11-trimethyldodeca -2.6-dienoic acid methyl ester | LipidMAPS: LMPR0103010031 |
| C19H30O7 | 370.19915 | 0.696 | 5-Megastigmen-7-yne-3,9-diol 9-glucoside | HMDB: HMDB0032841 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 371.20645 |
| Splash: splash10-0a4i-0393000000-844cf5e455c21790638f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 209.10 | 721 | 162 | 1000 |
| 191.08 | 228 | 180 | 316 |
| 353.27 | 206 | 18 | 285 |
| 133.03 | 94 | 238 | 130 |
| 177.09 | 66 | 194 | 91 |
| 283.25 | 66 | 88 | 91 |
| 265.13 | 60 | 106 | 83 |
| 309.47 | 53 | 62 | 73 |
| 212.97 | 44 | 158 | 60 |
| 327.37 | 43 | 44 | 60 |
| 339.05 | 38 | 32 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.083 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Exiguaflavanone K |
| 0.053 | [Dihydroflavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | Dihydroflavonol | Dioclenol |
| 0.042 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavanone | 3S-5,7,3'-Trihydroxy-4'-methoxy-5'-prenylisoflavanone |
| 0.042 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavanone | Sophoraisoflavanone A |
| 0.042 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavanone | 4'-O-Methylkievitone |
| 0.042 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavanone | Diphysolidone |
| 0.040 | [Flavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Flavanone | 5'-Prenylhomoeriodictyol |
| 0.040 | [Flavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Flavanone | 4'-Methylsigmoidin B |
| 0.040 | [Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | Dioflorin |
| 0.040 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | Flavanone | 5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone |
| 0.040 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | Flavanone | Kenusanone I |
| 0.030 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavonol | Gancaonin P |
| 0.030 | [Flavonol]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | 2'-Prenylrhynchosin |
| 0.030 | [Flavonol]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | Uralenol |
| 0.000 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavone | Torosaflavone D |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(2-Hydroperoxy-3-methyl-3-butenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol E |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthohumol D |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Dehydrocycloxanthohumol hydratechalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 2OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Dihydrochalcone | 2'-Hydroxy-5',6'-dimethoxy-3,4-methylenedioxyfurano[2'',3'':4',3'] dihydrochalcon |
| 0.000 | [Flavanone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OMe) | Flavanone | 5,7-Dihydroxy-4'-methoxy-8-C-(2-hydroxy-3-methyl-3-butenyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH, 1OMe) | Flavanone | 5,7,4'-Trihydroxy-3'-methoxy-6-(1,1-dimethylallyl)flavanone |
| 0.000 | [Flavone]-A(2OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(2OH) | Flavone | Oxidihydroartocarpesin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Dihydroflavonol | 5,7,4'-Trihydroxy-5-methoxy-8-prenylflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(2OH) | Dihydroflavonol | 7,8-Dihydrooxepinodihydroquercetin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Dihydroflavonol | Shuterone A |
| 0.000 | [Flavonol]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Flavonol | Glycyrrhiza flavonol A |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Flavonol | Meliternatin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | CCS-type derivative / [3,2']-Epoxymethanoflavone | 6-Methoxypulcherrimin |
| 0.000 | [Flavan 3,4-diol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavan 3,4-diol | 4beta-Hydroxyobovatachromene |
| 0.000 | [Flavan 3,4-diol]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavan 3,4-diol | 3,4,5,6-Tetramethoxyfurano[2,3-h]flavan |
| 0.000 | [Flavan 3,4-diol]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavan 3,4-diol | Diplotropin |
| 0.000 | [Isoflavone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(2OH) | Isoflavone | 2,3-Dehydrokievitol |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Isoflavone | Lunatone |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Isoflavone | Lupinisoflavone B |
| 0.000 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Isoflavone | Lupinisoflavone D |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 2OMe, 1(1,1-Dimethylallyl)) | Isoflavan | Unanisoflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Pterocarpan-6a-ol | Sphenostylin B |
| 0.000 | [6-Oxodehydrorotenone]-A(1OH, 1OMe)-B(2OMe) | 6-Oxodehydrorotenone | Stemonone |