ピーク情報
|
パセリ 根
pos
|
| Peak #9126 MN MID: SE61_S24_M90 |
| m/z: 436.23281, RT: 88.01, 強度: 73683, ログ強度: 1.37, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (32 names) Kuhistanicaol I;(+)-Kuhistanicaol I;Polysyphorin;Norcaesalpinin C;(-)-Norcaesalpinin C;Artelinate;Methyl 11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate;Caesalpinin F;(+)-Caesalpinin F;S... |
| DBごとのヒット数: ALL 24 KG 2 KN 16 HM 6 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.048 |
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 |
|---|---|---|---|---|
| C23H30O7 | 418.19915 | -0.415 | Kuhistanicaol I | KNApSAcK: C00037404 |
| C23H30O7 | 418.19915 | -0.415 | Artelinate | HMDB: HMDB0248619 |
| C23H30O7 | 418.19915 | -0.415 | Polysyphorin | KNApSAcK: C00046323 |
| C23H30O7 | 418.19915 | -0.415 | Norcaesalpinin C | KNApSAcK: C00042790 |
| C23H30O7 | 418.19915 | -0.415 | Methyl 11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate | HMDB: HMDB0254561 |
| C23H30O7 | 418.19915 | -0.415 | Caesalpinin F | KNApSAcK: C00042327 |
| C23H30O7 | 418.19915 | -0.415 | Sequoiamonascin A | KNApSAcK: C00053780, C00053781 |
| C23H30O7 | 418.19915 | -0.415 | Rhaphidecursinol A | KNApSAcK: C00046356 |
| C23H30O7 | 418.19915 | -0.415 | (1a,5b,6a)-7-Protoilludene-1,5,6,14-tetrol 14-(2,4-dihydroxy-6-methylbenzoic acid) | HMDB: HMDB0031368 |
| C23H30O7 | 418.19915 | -0.415 | Biondinin E | KEGG: C17852 |
| C23H30O7 | 418.19915 | -0.415 | (+)-Bisabosqual D | KNApSAcK: C00015990 |
| C23H30O7 | 418.19915 | -0.415 | Norcaesalpinin A | KNApSAcK: C00042788 |
| C23H30O7 | 418.19915 | -0.415 | Judeol | HMDB: HMDB0034607 |
| C23H30O7 | 418.19915 | -0.415 | Sarglaperoxide B | KNApSAcK: C00053768 |
| C23H30O7 | 418.19915 | -0.415 | 13-Hydroxydihydromelleolide | HMDB: HMDB0036929 KNApSAcK: C00021467 |
| C23H30O7 | 418.19915 | -0.415 | Norcaesalpinin MA | KNApSAcK: C00043780 |
| C23H30O7 | 418.19915 | -0.415 | Asteltoxin | HMDB: HMDB0029464 KNApSAcK: C00054807 |
| C23H30O7 | 418.19915 | -0.415 | Melleolide E | HMDB: HMDB0038785 |
| C23H30O7 | 418.19915 | -0.415 | Gomisin H | KEGG: C17820 |
| C23H30O7 | 418.19915 | -0.415 | Norcaesalpinin B | KNApSAcK: C00042789 |
| C23H30O7 | 418.19915 | -0.415 | Acanthoglabrolide | KNApSAcK: C00011854 |
| C23H30O7 | 418.19915 | -0.415 | Rhaphidecursinol B | HMDB: HMDB0030828 KNApSAcK: C00046357, C00054634 |
| C23H30O7 | 418.19915 | -0.415 | Diosbulbin H | HMDB: HMDB0036781 |
| C23H30O7 | 418.19915 | -0.415 | Sequoiamonascin C | KNApSAcK: C00053782 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 436.23264 |
| Splash: splash10-014i-0000900000-104ea320d0bb670c228b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 418.96 | 17604 | 17 | 1000 |
| 401.27 | 4668 | 35 | 265 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 419.03201 |
| Splash: splash10-0udi-0230900000-df7c564cfded6323fa07 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 401.41 | 370 | 18 | 1000 |
| 231.05 | 175 | 188 | 471 |
| 151.00 | 115 | 268 | 311 |
| 400.76 | 87 | 18 | 233 |
| 169.05 | 33 | 250 | 88 |
| 390.50 | 24 | 29 | 66 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.048 | [Flavonol]-A(4OMe)-B(2OMe) | Flavonol | Natsudaidain |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Gangetinin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(4OMe) | Flavone | Agecorynin F |
| 0.000 | [Flavone]-A(3OMe)-B(1OH, 3OMe) | Flavone | Agecorynin G |
| 0.000 | [Flavone]-A(4OMe)-B(1OH, 2OMe) | Flavone | 4'-Hydroxy-5,6,7,8,3',5'-hexamethoxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(1OH, 2OMe) | Flavone | 3'-Hydroxy-5,6,7,8,4',5'-hexamethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(3OMe) | Flavone | 8-Hydroxy-5,6,7,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(3OMe) | Flavone | Gardenin A |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(3OMe) | Flavone | Agehoustin E |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Glu))-B(1OH) | 2'-Hydroxychalcone | 3'-C-Glucosylisoliquiritigenin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(2OH) | 2'-Hydroxychalcone | 8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(4OMe) | 2'-Hydroxychalcone | 6'-Hydroxy-2,3,4,5,2'-pentamethoxy-3',4'-methylenedioxychalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OMe) | Dihydrochalcone | Calomelanol A |
| 0.000 | [Flavanone]-A(1OH, 1(C-Galactosyl))-B(1OH) | Flavanone | 8-C-beta-D-Galactosylliquiritigenin |
| 0.000 | [Flavanone]-A(4OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavanone | Agecorynin B |
| 0.000 | [Flavone]-A(2OH, 1(C-Xylosyl))-B(2OH) | Flavone | 6-C-Xylosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(2OH) | Flavone | 8-C-alpha-L-Arabinosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(2OH) | Flavone | 6-C-alpha-L-Arabinosylluteolin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cyclomorusin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Isocyclomorusin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(4OMe) | Flavonol | 5-Hydroxy-3,7,2',3',4',6'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1OH, 2OMe) | Flavonol | 4'-Hydroxy-3,5,6,7,3',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,6,7,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,6,7,2',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe) | Flavonol | 8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe) | Flavonol | Grantioidinin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe) | Flavonol | 7-Hydroxy-3,5,6,8,3',4'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe) | Flavonol | 5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 2OMe) | Flavonol | 5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe) | Flavonol | 5-Hydroxy-3,6,7,8,2',4'-hexamethoxyflavone |
| 0.000 | [CCS-type derivative / [2,3a,4:5,4,3]-(8,9-Dihydroxy-1,5-dioxa-6-oxophenaleno)anthocyanidin]-A(1OH)-B(2OH) | CCS-type derivative / [2,3a,4:5,4,3]-(8,9-Dihydroxy-1,5-dioxa-6-oxophenaleno)anthocyanidin | Rosacyanin B |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6-Hydroxymethyl-6-methylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexone D |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexin C |
| 0.000 | [Isoflavone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Scandinone |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Nitiducarpin |
| 0.000 | [Coumaranochromon]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Coumaranochromon | Millettin |
| Level: 3, プリカーサーm/z: 401.34708 |
| Splash: splash10-07vi-0649000000-90d3b06c232cb168760d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 313.26 | 157 | 88 | 1000 |
| 383.10 | 123 | 18 | 780 |
| 317.13 | 104 | 84 | 663 |
| 155.16 | 95 | 246 | 604 |
| 355.25 | 84 | 46 | 536 |
| 339.21 | 77 | 62 | 490 |
| 211.25 | 76 | 190 | 485 |
| 215.09 | 73 | 186 | 461 |
| 303.15 | 71 | 98 | 450 |
| 169.01 | 69 | 232 | 441 |
| 153.01 | 69 | 248 | 437 |
| 331.29 | 68 | 70 | 435 |
| 141.04 | 66 | 260 | 419 |
| 171.10 | 62 | 230 | 393 |
| 243.12 | 61 | 158 | 388 |
| 255.16 | 55 | 146 | 351 |
| 145.16 | 54 | 256 | 341 |
| 283.14 | 50 | 118 | 319 |
| 157.19 | 50 | 244 | 316 |
| 167.20 | 46 | 234 | 293 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.143 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | 3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone |
| 0.143 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Isotirumalin |
| 0.143 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Scariosin |
| 0.143 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Tirumalin |
| 0.129 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1OMe) | Flavanone | Kenusanone E |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(4-Formyl-5-(p-Hydroxyphenyl)furano))) | 2'-Hydroxychalcone | Lophirone D |
| 0.000 | [Flavanone]-A(1OMe)-B(1([2,3:@@]-(5-(p-Methoxyphenyl)furano))) | Flavanone | Lophirone J |
| 0.000 | [Flavone]-A(2OH, 1(C-Digitoxopyranosyl))-B(1OH) | Flavone | Torosaflavone A |
| 0.000 | [Flavone]-A(2OH, 1(C-(beta-D-Oliosyl))-B(1OH) | Flavone | 6-C-beta-D-Oliopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-(beta-D-Boivinosyl))-B(1OH) | Flavone | 6-C-beta-D-Boivinopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-(beta-D-Epioliosyl))-B(1OH) | Flavone | 6-C-beta-D-Epioliosylapigenin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)-C(1(O-Angeloyl)) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-O-angelate |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none) | Flavonol | 8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone |
| 0.000 | [Flavonol]-A(2OH, 1(3-methylsuccinoyl))-B(1OH) | Flavonol | 3,5,7,4'-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone |
| 0.000 | [Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OMe) | Flavonol | Brevicornin |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | 3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Flavonol | 3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone |
| 0.000 | [Isoflavanone-3-ol]-A(2OH)-B(2OMe, 1(C-Prenyl)) | Isoflavanone-3-ol | Echinoisoflavanone |
| 0.000 | [Coumestan]-A(1OH)-B(1OH, 1OMe, 1(2,3-Dihydroxy-3-methylbutyl)) | Coumestan | Mirificoumestan glycol |