ピーク情報
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パセリ 根
pos
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| Peak #7941 MN MID: SE61_S24_M90 |
| m/z: 449.21673, RT: 75.22, 強度: 92350, ログ強度: 1.47, 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: (36 names) Effusanin D;Orthosiphol Y;(-)-Orthosiphol Y;Maoecrystal J;Calcicolin B;(-)-Calcicolin B;Reissantin D;Melleolide C;8beta-Hydroxyproustianol angelicate;Lophanthoidin B;Leucophyllin B;(-)-Leucophyllin B;... |
| DBごとのヒット数: ALL 29 KG 3 KN 24 HM 2 |
| FlavonoidSearch最大スコア MS2: 0.125, MS3: 0.056 |
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 |
|---|---|---|---|---|
| C24H32O8 | 448.20972 | -0.582 | Effusanin D | KNApSAcK: C00039085, C00051475 |
| C24H32O8 | 448.20972 | -0.582 | Orthosiphol Y | KNApSAcK: C00044982 |
| C24H32O8 | 448.20972 | -0.582 | Maoecrystal J | KNApSAcK: C00051469 |
| C24H32O8 | 448.20972 | -0.582 | Calcicolin B | KNApSAcK: C00040906 |
| C24H32O8 | 448.20972 | -0.582 | Reissantin D | KNApSAcK: C00045041 |
| C24H32O8 | 448.20972 | -0.582 | Melleolide C | HMDB: HMDB0037041 KNApSAcK: C00021461 |
| C24H32O8 | 448.20972 | -0.582 | 8beta-Hydroxyproustianol angelicate | KNApSAcK: C00021746 |
| C24H32O8 | 448.20972 | -0.582 | Lophanthoidin B | KNApSAcK: C00051323 |
| C24H32O8 | 448.20972 | -0.582 | Leucophyllin B | KNApSAcK: C00049205 |
| C24H32O8 | 448.20972 | -0.582 | Shikokianin | KNApSAcK: C00037816 |
| C24H32O8 | 448.20972 | -0.582 | Isoasatone | KNApSAcK: C00000594 |
| C24H32O8 | 448.20972 | -0.582 | Jungermatrobrunin A | KNApSAcK: C00039509 |
| C24H32O8 | 448.20972 | -0.582 | Gelomulide T | KNApSAcK: C00033868 |
| C24H32O8 | 448.20972 | -0.582 | Cascarillin G | KNApSAcK: C00045255 |
| C24H32O8 | 448.20972 | -0.582 | Kadlongirin A | KNApSAcK: C00030573 |
| C24H32O8 | 448.20972 | -0.582 | alpha-Caesalpin | KNApSAcK: C00029666 |
| C24H32O8 | 448.20972 | -0.582 | Longirabdolide D | KNApSAcK: C00051313 |
| C24H32O8 | 448.20972 | -0.582 | 17beta-Estradiol 17-(beta-D-glucuronide) | HMDB: HMDB0010317, HMDB0251969 KEGG: C11237 LipidMAPS: LMST05050028 |
| C24H32O8 | 448.20972 | -0.582 | Phorbol 12,13-diacetate | HMDB: HMDB0256453 |
| C24H32O8 | 448.20972 | -0.582 | (-)-Cubebinin | HMDB: HMDB0033273 KNApSAcK: C00041985 |
| C24H32O8 | 448.20972 | -0.582 | Gelomulide Q | KNApSAcK: C00033865 |
| C24H32O8 | 448.20972 | -0.582 | Acetylisomontanolide | KNApSAcK: C00020875 |
| C24H32O8 | 448.20972 | -0.582 | Longikaurin F | KNApSAcK: C00037431 |
| C24H32O8 | 448.20972 | -0.582 | (1S,3S,4S,5R,6x,8x)-1,5-Diacetoxy-8-angeloyloxy-3,4-epoxy-7(14),10-bisaboladien-2-one | HMDB: HMDB0034584 |
| C24H32O8 | 448.20972 | -0.582 | Estradiol-17alpha 3-D-glucuronoside | HMDB: HMDB0006224, HMDB0010322, HMDB0010349 KEGG: C04300, C05503 LipidMAPS: LMST05010007, LMST05010026 |
| C24H32O8 | 448.20972 | -0.582 | Rabdosin B | KNApSAcK: C00031121 |
| C24H32O8 | 448.20972 | -0.582 | Asatone | KNApSAcK: C00000508 |
| C24H32O8 | 448.20972 | -0.582 | Jodrellin A | KEGG: C09121 |
| C25H28O4N4 | 448.21106 | -3.566 | Dactylamide A | KNApSAcK: C00027039 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 449.21637 |
| Splash: splash10-001i-0005900000-3db99b5ea6b8eeade295 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 431.21 | 18246 | 18 | 1000 |
| 399.27 | 6560 | 50 | 359 |
| 432.24 | 4485 | 17 | 245 |
| 371.18 | 3876 | 78 | 212 |
| 245.12 | 1899 | 204 | 104 |
| 381.22 | 1582 | 68 | 86 |
| 400.32 | 1582 | 49 | 86 |
| 329.25 | 1331 | 120 | 72 |
| 339.21 | 1322 | 110 | 72 |
| 413.21 | 1250 | 36 | 68 |
| 389.21 | 1174 | 60 | 64 |
| 353.32 | 954 | 96 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.059 | [Flavone]-A(2OH, 1(C-Glu))-B(2OH) | Flavone | Isoorientin |
| 0.059 | [Flavone]-A(2OH, 1(C-Glu))-B(2OH) | Flavone | Orientin |
| 0.059 | [Flavonol]-A(1OH, 1(C-Glu))-B(2OH) | Flavonol | Fisetin 8-C-glucoside |
| 0.059 | [Flavonol]-A(2OH, 1(C-Glu))-B(1OH) | Flavonol | 6-C-Glucopyranosylkaempferol |
| 0.059 | [Flavonol]-A(2OH, 1(C-Glu))-B(1OH) | Flavonol | 8-C-beta-D-Glucopyranosylkaempferol |
| 0.059 | [Isoflavone]-A(2OH, 1(C-Glu))-B(2OH) | Isoflavone | 6-C-Glucosylorobol |
| 0.059 | [Isoflavone]-A(2OH, 1(C-Glu))-B(2OH) | Isoflavone | 8-C-Glucosylorobol |
| 0.059 | [Anthocyanidin]-A(2OH, 1(C-Glu))-B(2OH) | Anthocyanidin | 8-C-Glucosylcyanidin |
| 0.045 | [Chalcone]-A(4OMe)-B(4OMe) | Chalcone | 2,3,4,5,2',3',4',6'-Octamethoxychalcone |
| 0.000 | [Flavone]-A(4OMe)-B(1OH, 3OMe) | Flavone | Agehoustin C |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH) | Flavone | 6-C-Galactosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH) | Flavone | 8-C-Galactosylluteolin |
| 0.000 | [Flavone]-A(3OH, 1(C-Galactosyl))-B(1OH) | Flavone | 6-C-Galactosylisoscutellarein |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartomunin |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artomunoxanthone |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artonol E |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Cycloartomunoxanthone |
| 0.000 | [UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone | Artonin P |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(1OH, 2OMe) | Flavonol | 3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 4-Hydroxy-3-phenylcoumarin | Lonchocarpenin |
| Level: 3, プリカーサーm/z: 431.21448 |
| Splash: splash10-0002-0009000000-e865186ced51ba0121de |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 399.28 | 3912 | 32 | 1000 |
| 381.33 | 1608 | 50 | 411 |
| 413.36 | 663 | 18 | 169 |
| 353.27 | 459 | 78 | 117 |
| 371.29 | 364 | 60 | 93 |
| 329.30 | 351 | 102 | 89 |
| 355.36 | 325 | 76 | 83 |
| 335.33 | 295 | 96 | 75 |
| 395.28 | 276 | 36 | 70 |
| 363.26 | 255 | 68 | 65 |
| 341.23 | 229 | 90 | 58 |
| 155.13 | 203 | 276 | 51 |
| 258.86 | 202 | 172 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.056 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none) | Flavone | Kaplanin |
| 0.056 | [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: 399.27475 |
| Splash: splash10-001i-0119000000-e5a2c5f214f0f1be22c0 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 381.34 | 1085 | 18 | 1000 |
| 335.34 | 523 | 64 | 482 |
| 177.06 | 216 | 222 | 198 |
| 355.31 | 191 | 44 | 176 |
| 363.16 | 148 | 36 | 136 |
| 371.25 | 128 | 28 | 118 |
| 353.32 | 95 | 46 | 87 |
| 251.17 | 91 | 148 | 84 |
| 311.06 | 87 | 88 | 80 |
| 337.35 | 86 | 62 | 79 |
| 327.40 | 84 | 72 | 77 |
| 197.08 | 73 | 202 | 67 |
| 231.07 | 62 | 168 | 57 |
| 351.16 | 62 | 48 | 56 |
| 233.01 | 60 | 166 | 55 |
| 257.12 | 58 | 142 | 53 |
| 299.27 | 55 | 100 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.171 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 2OMe) | Isoflavone | Viridiflorin |
| 0.135 | [Isoflavone]-A(2OH)-B(1OH, 2OMe, 1(C-Prenyl)) | Isoflavone | 2'-Hydroxypiscerythrinetin |
| 0.056 | [Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | Isorhynchospermin |
| 0.056 | [Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | Rhynchospermin |
| 0.038 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 2OMe) | Flavone | Baohuosu |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(4,5-Dihydroxy-6-methyltetrahydropyran-2-yl))-B(none) | Flavone | Hoslunddiol |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe)-B(2OH, 1OMe) | 3-substituted Flavone | Artoindonesianin Q |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 2OMe) | 3-substituted Flavone | Artoindonesianin R |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Dihydroflavonol | 3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2'',3'':7,8]flavanone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | Flavonol | 5,3',4'-Trihydroxy-3,7-dimethoxy-6-prenylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavonol | 5,7,4'-Trihydroxy-3,8-dimethoxy-6-prenylflavone |
| 0.000 | [Flavan 3,4-diol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavan 3,4-diol | 3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan |
| 0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(1OH, 2OMe) | CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin | 5-Carboxypyranomalvidin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OMe)-B(2OMe, 1(C-Prenyl)) | Pterocarpan-6a-ol | Sphenostylin A |
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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