ピーク情報
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ししとう 果実 生
pos
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| Peak #7850 MN MID: SE115_S060931_M90 |
| m/z: 431.27895, RT: 61.23, 強度: 180531, ログ強度: 1.67, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (7 names) 16-feruloyloxypalmitate;Ethyl-(5R,12S)-diacetoxy-(6E,8E,10E,14Z)-eicosa-(6,8,10,14)-tetraenoate;(ent-2b,4S,9a)-2,4,9-Trihydroxy-10(14)-oplopen-3-one 2-(2-methylbutanoate) 9-(3-methyl-2E-pentenoate);Is... |
| DBごとのヒット数: ALL 6 KG 1 KN 2 HM 2 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.032 |
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 |
|---|---|---|---|---|
| C26H40O6 | 448.28249 | -0.550 | 16-Feruloyloxypalmitate | HMDB: [-1]HMDB0304027 KEGG: C18217 |
| C26H40O6 | 448.28249 | -0.550 | Ethyl-(5R,12S)-diacetoxy-(6E,8E,10E,14Z)-eicosa-(6,8,10,14)-tetraenoate | LipidMAPS: LMFA03000016, LMFA03000017 |
| C26H40O6 | 448.28249 | -0.550 | (ent-2b,4S,9a)-2,4,9-Trihydroxy-10(14)-oplopen-3-one 2-(2-methylbutanoate) 9-(3-methyl-2E-pentenoate) | HMDB: HMDB0040993 |
| C26H40O6 | 448.28249 | -0.550 | Isolinaritriol triacetate | KNApSAcK: C00023493 |
| C27H36O2N4 | 448.28383 | -3.534 | N-[5-Methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide | HMDB: HMDB0258014 |
| C27H36O2N4 | 448.28383 | -3.534 | Xenortide B | KNApSAcK: C00040681 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 431.27802 |
| Splash: splash10-03dj-0047900000-94357f871f2f09fb666f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 413.27 | 26501 | 18 | 1000 |
| 395.24 | 14202 | 36 | 535 |
| 285.20 | 5132 | 146 | 193 |
| 257.30 | 3216 | 174 | 121 |
| 377.30 | 2918 | 54 | 110 |
| 267.31 | 2077 | 164 | 78 |
| 189.07 | 1871 | 242 | 70 |
| 301.22 | 1867 | 130 | 70 |
| 283.29 | 1810 | 148 | 68 |
| 367.33 | 1631 | 64 | 61 |
| 369.25 | 1571 | 62 | 59 |
| 229.32 | 1442 | 202 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none) | Flavone | Kaplanin |
| 0.200 | [Isoflavone]-A(1OH, 1(C-Glu))-B(1OMe) | Isoflavone | Puerarin 4'-methyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | Isomollupentin 7,4'-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | 7,4'-Di-O-Methylisomollupentin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OH) | Flavone | 8-C-Rhamnosylgenkwanin |
| 0.000 | [Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(2OH) | Flavone | Derhamnosylmaysin |
| 0.000 | [Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(2OH) | Flavone | 6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)luteolin |
| 0.000 | [Flavone]-A(2OH, 1(2,6-Dideoxy-beta-L-xylo-hexopyranosyl))-B(1OH, 1OMe) | Flavone | Alternanthin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(3-hydroxy-3-methylbutyl)) | Flavonol | Aliarin 4'-methyl ether |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OMe, 1(4-hydroxy-3-methylbutyl)) | Flavonol | 3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | 3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<1,6-Dihydroxy-2-cyclohexene-1-carbonyl>)) | Flavan 3-ol | Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate) |
| Level: 3, プリカーサーm/z: 413.27069 |
| Splash: splash10-0002-0009000000-00a0fb5c7c0ed59cf27a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 395.44 | 4716 | 18 | 1000 |
| 377.20 | 735 | 36 | 155 |
| 367.40 | 573 | 46 | 121 |
| 371.32 | 288 | 42 | 61 |
| 369.35 | 236 | 44 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | 5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(C-Prenyl)) | Flavonol | Viscosol |
| 0.000 | [4-substituted Flavan 3-ol (4-(2,3,4-Trihydroxyphenyl))]-A(1OH)-B(2OH) | 4-substituted Flavan 3-ol | 4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(2OMe) | Rotenone | Dihydroamorphigenin |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OMe) | Rotenone | Dalpanol |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1(C-Prenyl))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Hydroxyrot-2'-enonic acid |
| Level: 3, プリカーサーm/z: 395.24332 |
| Splash: splash10-004i-0039000000-8d0290b4a09e3f3625f8 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 377.32 | 1558 | 18 | 1000 |
| 367.49 | 302 | 28 | 193 |
| 301.29 | 256 | 94 | 164 |
| 353.33 | 229 | 42 | 146 |
| 299.25 | 218 | 96 | 140 |
| 271.39 | 203 | 124 | 129 |
| 337.32 | 186 | 58 | 119 |
| 289.44 | 184 | 106 | 118 |
| 331.27 | 165 | 64 | 106 |
| 349.20 | 155 | 46 | 99 |
| 342.60 | 153 | 53 | 97 |
| 351.58 | 152 | 44 | 97 |
| 281.39 | 145 | 114 | 92 |
| 195.10 | 140 | 200 | 89 |
| 225.33 | 129 | 170 | 82 |
| 241.07 | 122 | 154 | 78 |
| 359.42 | 115 | 36 | 73 |
| 211.33 | 115 | 184 | 73 |
| 295.42 | 114 | 100 | 73 |
| 151.03 | 105 | 244 | 67 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.139 | [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 |
関連ピーク情報
| ピーク番号 | 保持時間 (min) | m/z | m/z差分 | ログ強度 | アダクト | DB検索結果 | ヒット数 | MSn | FS2 | FS3 | N原子数 | S原子数 | 共有数 |
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