ピーク情報
|
（しょうが類） しょうが 根茎 生
pos
|
| Peak #8862 MN MID: SE115_S061031_M90 |
| m/z: 589.37336, RT: 72.82, 強度: 1028920, ログ強度: 2.54, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (34 names) Gingerol;Pulicanadienal B;(+)-Pulicanadienal B;Dendocarbin I;(-)-Dendocarbin I;Nordihydrocapsiate;Myrsinone;Pseudoanguillosporin B;9-Oxo-5-acetoxynerolidol;8alpha-Acetoxydolichlasin;Acetoxydelobanone;... |
| DBごとのヒット数: ALL 27 KG 3 KN 20 HM 4 |
| FlavonoidSearch最大スコア MS2: -, MS3: - |
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 |
|---|---|---|---|---|
| C17H26O4 | 294.18311 | -0.224 | [6]-Gingerol | HMDB: HMDB0005783 KEGG: C10462 KNApSAcK: C00002748 LipidMAPS: LMPK15020007 |
| C17H26O4 | 294.18311 | -0.224 | Pulicanadienal B | KNApSAcK: C00042880 |
| C17H26O4 | 294.18311 | -0.224 | Dendocarbin I | KNApSAcK: C00045836 |
| C17H26O4 | 294.18311 | -0.224 | Nordihydrocapsiate | HMDB: HMDB0034779 KNApSAcK: C00049392 |
| C17H26O4 | 294.18311 | -0.224 | Myrsinone | HMDB: HMDB0040646 |
| C17H26O4 | 294.18311 | -0.224 | 9-Oxo-5-acetoxynerolidol | KNApSAcK: C00011382 |
| C17H26O4 | 294.18311 | -0.224 | 8alpha-Acetoxydolichlasin | KNApSAcK: C00020387 |
| C17H26O4 | 294.18311 | -0.224 | Pseudoanguillosporin B | KNApSAcK: C00053708 |
| C17H26O4 | 294.18311 | -0.224 | Agglomerin C | KNApSAcK: C00017547 |
| C17H26O4 | 294.18311 | -0.224 | Acetoxydelobanone | KNApSAcK: C00011659 |
| C17H26O4 | 294.18311 | -0.224 | Russujaponol B | KNApSAcK: C00041808 |
| C17H26O4 | 294.18311 | -0.224 | Tanacetol A | HMDB: HMDB0035722 |
| C17H26O4 | 294.18311 | -0.224 | 4beta-Acetoxy-4-desoxodamsinic acid | KNApSAcK: C00021108 |
| C17H26O4 | 294.18311 | -0.224 | 11-Acetyltorilolone | KNApSAcK: C00054305 |
| C17H26O4 | 294.18311 | -0.224 | Discosiolide | KNApSAcK: C00016932 |
| C17H26O4 | 294.18311 | -0.224 | Phytuberin | HMDB: HMDB0035754 KEGG: C09709 KNApSAcK: C00003172 |
| C17H26O4 | 294.18311 | -0.224 | Dendocarbin J | KNApSAcK: C00020758, C00020760 |
| C17H26O4 | 294.18311 | -0.224 | 3beta-Acetoxy-9(12)-capnellene-8beta,10alpha-diol | KNApSAcK: C00021789 |
| C17H26O4 | 294.18311 | -0.224 | 5alpha-Acetoxy-9(12)-capnellene-8beta,10alpha-diol | KNApSAcK: C00021791 |
| C17H26O4 | 294.18311 | -0.224 | (-)-Tanacetol A | KNApSAcK: C00011704 |
| C17H26O4 | 294.18311 | -0.224 | 8beta-Acetoxy-9(12)-capnellene-5alpha,10alpha-diol | KNApSAcK: C00021792 |
| C17H26O4 | 294.18311 | -0.224 | 1-O-Acetylageratriol | KNApSAcK: C00038193 |
| C17H26O4 | 294.18311 | -0.224 | [4aR-(4aalpha,5alpha,6beta,8abeta)]-5-(Acetyloxy)-4a,5,6,7,8,8a-hexahydro-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone | KNApSAcK: C00012699 |
| C17H26O4 | 294.18311 | -0.224 | Embelin | HMDB: HMDB0251767 KEGG: C10342 KNApSAcK: C00002822 LipidMAPS: LMPK15050006 |
| C17H26O4 | 294.18311 | -0.224 | (9R,10R)-9,10,17-trihydroxyheptadeca-4,6-diyn-3-one | LipidMAPS: LMFA05000762 |
| C17H26O4 | 294.18311 | -0.224 | 5-Hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one | HMDB: HMDB0252720 |
| C17H26O4 | 294.18311 | -0.224 | 7-O-demethyl-albocycline | KNApSAcK: C00016030 |
| C17H26O4 | 294.18311 | -0.224 | 3-Undec-1-enylbenzene-1,2,4,5-tetrol | HMDB: HMDB0260258 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 589.37219 |
| Splash: splash10-0udi-0000900000-de6ac788fef2144594c5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 453.38 | 2270 | 136 | 1000 |
| 454.38 | 461 | 135 | 203 |
| 491.39 | 259 | 98 | 114 |
| 471.37 | 200 | 118 | 88 |
| 337.19 | 177 | 252 | 78 |
| 572.52 | 172 | 17 | 75 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 453.37549 |
| Splash: splash10-0udi-0090000000-0d80c66bf267fc3990bd |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 201.14 | 717 | 252 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavonol]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe) | Flavonol | Dorsmanin D |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Amoradinin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4-hydroxy-5-methoxypyrano)))-B(1OH) | 2'-Hydroxychalcone | Derrichalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Kushenol D |
| 0.000 | [Dihydrochalcone]-A(2OH, 1(2-Hydroxybenzyl), 1([2,3:@@]-(4-hydrochromeno)))-B(none) | Dihydrochalcone | Chamuvaritin |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Glu))-B(2OH) | Dihydrochalcone | Aspalathin |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH, 1(C-Glu))-B(2OH) | Dihydrochalcone alpha-ol | Coatline B |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methoxy-4,4-dimethyl-2-oxetanylmethyl))-B(1OH) | Flavanone | Derriflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe) | Flavanone | 2'-Methoxykurarinone |
| 0.000 | [Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(2OH) | Flavanone | 3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4,5-diacetoxypyrano)))-B(none) | Flavone | 9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano))) | Flavone | Epimedokoreanin A |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl)) | 3-substituted Flavone | Heteroartonin A |
| 0.000 | [CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone | Artonin S |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2(C-Prenyl))-B(2OH) | Flavonol | Broussoflavonol B |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH) | Flavan 3-ol | 6-C-Glucopyranosylcatechin |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH) | Flavan 3-ol | 8-C-Glucopyranosylcatechin |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(C-Galactosyl))-B(2OH) | Flavan 3-ol | Catechin 8-C-beta-D-galactoside |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH) | Flavan 3-ol | Cinchonain Ib |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH) | Flavan 3-ol | Cinchonain Ic |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Coumaroyl)) | Flavan 3-ol | Gallocatechin 3-O-p-coumarate |