ピーク情報
|
パセリ 葉
pos
|
| Peak #5922 MN MID: SE61_S21_M90 |
| m/z: 395.19138, RT: 43.51, 強度: 77430, ログ強度: 1.30, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 10 |
| DB検索結果: cis-3-Hexenyl b-primeveroside |
| DBごとのヒット数: ALL 1 HM 1 |
| FlavonoidSearch最大スコア MS2: 0.077, MS3: 0.023 |
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 |
|---|---|---|---|---|
| C17H30O10 | 394.18390 | 0.526 | cis-3-Hexenyl b-primeveroside | HMDB: HMDB0031690 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 395.19116 |
| Splash: splash10-004i-0029000000-2d1c3474eda993725d4c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 376.94 | 5102 | 18 | 1000 |
| 230.96 | 976 | 164 | 191 |
| 248.87 | 943 | 146 | 184 |
| 358.92 | 571 | 36 | 112 |
| 146.97 | 546 | 248 | 107 |
| 351.16 | 470 | 44 | 92 |
| 341.04 | 453 | 54 | 88 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.077 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe) | Isoflavone | Barbigerone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-Benzoyl)) | Flavan 3-ol | Catechin 3-O-benzoate |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 2(C-Prenyl)) | Dihydrochalcone | Gancaonin J |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 1Geranyl) | Dihydrochalcone | 3-Geranyl-4,2',4'-trihydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 2(C-Prenyl))-B(none) | Dihydrochalcone | 2',4',6'-Trihydroxy-3',5'-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none) | Dihydrochalcone | Linderatin |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | Flavanone | Purpurin |
| 0.000 | [Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-Furano))-B(2OH) | Flavanone | 3',4'-Dihydroxy-7-methoxy-8-prenyl-[2'',3'':5,6]furanoflavanone |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(4-Methyl-5-hydoxy-3a,6a-dihydro-6-oxocyclopenta[b]furano)))-B(2OH) | Flavone | Demethyltorosaflavone C |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Muxiangrin I |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(1OH) | Dihydroflavonol | Gericudranin E |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Flavonol | 8-C-Methylvellokaempferol 3,5-dimethyl ether |
| 0.000 | [Flavan]-A(1OH)-B(2OH, 2(C-Prenyl)) | Flavan | Kazinol A |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Rotenone | Rotenone |
| 0.000 | [Rotenone]-A(1OH, 1(Penta-1,4-dienyl))-B(2OMe) | Rotenone | Myriconol |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Rotenone | Deguelin |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | 12a-Hydroxyisomillettone |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | Millettosin |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(5-Isopropyldihydrofurano)))-B(2OMe) | Dehydrorotenone | Dehydrodihydrorotenone |
| 0.000 | [4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 4-Hydroxy-3-phenylcoumarin | Robustic acid methyl ether |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 4-Hydroxy-3-phenylcoumarin | Robustin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 4-Hydroxy-3-phenylcoumarin | Isorobustin |
| Level: 3, プリカーサーm/z: 230.92926 |
| Splash: splash10-01t9-2940000000-356b1a5733c1faad4467 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 126.96 | 97 | 104 | 1000 |
| 213.12 | 51 | 18 | 523 |
| 84.69 | 18 | 146 | 187 |
| 104.97 | 8 | 126 | 84 |
| 170.81 | 7 | 60 | 71 |
| 98.83 | 7 | 132 | 67 |
| 86.88 | 5 | 144 | 55 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 376.90274 |
| Splash: splash10-0a59-0359000000-3169210b7d25d855c07b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 359.22 | 57 | 18 | 1000 |
| 231.04 | 55 | 146 | 962 |
| 358.42 | 52 | 18 | 913 |
| 127.01 | 35 | 250 | 615 |
| 341.08 | 29 | 36 | 519 |
| 348.09 | 17 | 29 | 298 |
| 177.09 | 17 | 200 | 296 |
| 285.42 | 16 | 91 | 287 |
| 187.08 | 12 | 190 | 204 |
| 287.21 | 11 | 90 | 198 |
| 297.26 | 11 | 80 | 194 |
| 229.35 | 10 | 148 | 181 |
| 328.71 | 10 | 48 | 177 |
| 303.40 | 10 | 74 | 173 |
| 220.32 | 9 | 157 | 156 |
| 335.25 | 8 | 42 | 144 |
| 308.15 | 8 | 69 | 132 |
| 360.28 | 7 | 17 | 129 |
| 299.37 | 7 | 78 | 119 |
| 146.94 | 5 | 230 | 93 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.121 | [Flavanone]-A(1OH, 2(C-Prenyl))-B(none) | Flavanone | Ovaliflavanone A |
| 0.121 | [2'-Hydroxychalcone]-A(2OH, 2(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Spinochalcone A |
| 0.069 | [Flavanone]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone |
| 0.059 | [Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | Limocitrol |
| 0.059 | [Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 3,5,7,3'-Tetrahydroxy-6,8,4'-trimethoxyflavone |
| 0.059 | [Flavonol]-A(1OH, 3OMe)-B(2OH) | Flavonol | 3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone |
| 0.059 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 3,5,7,4'-Tetrahydroxy-6,3',5'-trimethoxyflavone |
| 0.059 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 3,5,7,3'-Tetrahydroxy-6,4',5'-trimethoxyflavone |
| 0.059 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Hibiscetin 8,3',5'-trimethyl ether |
| 0.033 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavanone | 5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',6'-Tetrahydroxy-6,8,2'-trimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone |
| 0.000 | [Pterocarpan]-A(1OH, 2OMe)-B(1OH, 2OMe) | Pterocarpan | 2,8-Dihydroxy-3,4,9,10-tetramethoxypterocarpan |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1(2-hydroxybenzyl))-B(none) | Flavanone | 5-O-Methylchamanetin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Benzoyl)) | Dihydroflavonol | Pinobanksin 3-O-benzoate |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl)) | Dihydroflavonol | 3,5,7,3',4'-Pentahydroxy-6-methoxyflavanone 3-O-acetate |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Dihydroflavonol | Plumbaginol |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 2OMe) | Flavonol | 5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Apuleisin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,4',5'-Tetrahydroxy-3,6,2'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 3,7,4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 3,8,4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH) | Flavonol | 5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH) | Flavonol | 5,6,3',4'-Tetrahydroxy-3,7,8-trimethoxyflavone |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 2OMe)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Abruquinone C |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Dehydrorotenone | Dehydromillettone |