ピーク情報
|
よもぎ 葉 生
pos
|
| Peak #10114 MN MID: SE116_S063011_M90 |
| m/z: 436.26929, RT: 90.57, 強度: 5775, ログ強度: 0.28, アダクト: [M+CH5N+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (40 names) Kuhistanicaol E;(+)-Kuhistanicaol E;Emblide;(+)-Emblide;Dactylolactone C;(-)-Dactylolactone C;Phellodonic acid;Cortisol 21-acetate;Hydrocortisone acetate;Cortell;4beta,8alpha-Dihydroxy-6alpha-vanilloy... |
| DBごとのヒット数: ALL 29 KG 2 KN 20 HM 3 LM 4 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.167 |
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 |
|---|---|---|---|---|
| C23H32O6 | 404.21989 | -0.172 | Kuhistanicaol E | KNApSAcK: C00037400 |
| C23H32O6 | 404.21989 | -0.172 | Emblide | KNApSAcK: C00041515, C00041851 |
| C23H32O6 | 404.21989 | -0.172 | Dactylolactone C | KNApSAcK: C00044686, C00044687 |
| C23H32O6 | 404.21989 | -0.172 | Phellodonic acid | KNApSAcK: C00035920 |
| C23H32O6 | 404.21989 | -0.172 | Cortisol 21-acetate | HMDB: HMDB0244374 KEGG: C02821 LipidMAPS: LMST02030093 |
| C23H32O6 | 404.21989 | -0.172 | Dactylolactone A | KNApSAcK: C00044684, C00044685 |
| C23H32O6 | 404.21989 | -0.172 | 4beta,8alpha-Dihydroxy-6alpha-vanilloyloxydauc-9-ene | KNApSAcK: C00036567 |
| C23H32O6 | 404.21989 | -0.172 | Kuhistanicaol D | KNApSAcK: C00037399 |
| C23H32O6 | 404.21989 | -0.172 | Tenuferinin | KNApSAcK: C00020368 |
| C23H32O6 | 404.21989 | -0.172 | 2,3-Epoxyjaeschkeanadiol 5alpha-vanillate | KNApSAcK: C00021413 |
| C23H32O6 | 404.21989 | -0.172 | Desoxycortisone acetate | HMDB: HMDB0251066 |
| C23H32O6 | 404.21989 | -0.172 | Strophanthidin | HMDB: HMDB0258516 KEGG: C19988 KNApSAcK: C00032213 LipidMAPS: LMST01120005 |
| C23H32O6 | 404.21989 | -0.172 | LipidMAPS: LMPR0104090002 |
|
| C23H32O6 | 404.21989 | -0.172 | Tenuferin | KNApSAcK: C00020367 |
| C23H32O6 | 404.21989 | -0.172 | Rubaferinin | KNApSAcK: C00012072 |
| C23H32O6 | 404.21989 | -0.172 | Helotialin C | KNApSAcK: C00053299 |
| C23H32O6 | 404.21989 | -0.172 | 3beta,14,16beta-trihydroxy-19-oxo-5beta-card-20(22)-enolide | LipidMAPS: LMST01120009 |
| C23H32O6 | 404.21989 | -0.172 | LipidMAPS: LMPR0103370011 |
|
| C23H32O6 | 404.21989 | -0.172 | Trichodermadienediol B | KNApSAcK: C00012663, C00012667 |
| C23H32O6 | 404.21989 | -0.172 | 3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide | LipidMAPS: LMST01130067 |
| C23H32O6 | 404.21989 | -0.172 | Caesalpinin MB | KNApSAcK: C00043332 |
| C23H32O6 | 404.21989 | -0.172 | o-Methylepoxyshikoccin | KNApSAcK: C00051709 |
| C23H32O6 | 404.21989 | -0.172 | Divinatorin D | KNApSAcK: C00047216 |
| C23H32O6 | 404.21989 | -0.172 | 16-Methyl-epi-nigakihemiacetal B | HMDB: HMDB0039886 |
| C23H32O6 | 404.21989 | -0.172 | Memnoconol | KNApSAcK: C00015421 |
| C23H32O6 | 404.21989 | -0.172 | 1alpha-O-Methylquassin | HMDB: HMDB0039558 |
| C23H32O6 | 404.21989 | -0.172 | Methyl 16-acetoxy-17-hydroxyacritoconifert-7-en-oate | KNApSAcK: C00022513 |
| C23H32O6 | 404.21989 | -0.172 | 8beta-Acetoxy-3beta-angeloyloxy-isocostic acid methyl ester | KNApSAcK: C00022663 |
| C24H28O2N4 | 404.22123 | -3.481 | Phalarine | KNApSAcK: C00026961 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 436.26917 |
| Splash: splash10-0a6r-0060900000-390f4db3cb72e020041f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 405.01 | 3005 | 31 | 1000 |
| 229.07 | 1545 | 207 | 514 |
| 201.07 | 420 | 235 | 139 |
| 211.12 | 320 | 225 | 106 |
| 183.16 | 223 | 253 | 74 |
| 247.08 | 164 | 189 | 54 |
| 404.31 | 162 | 32 | 53 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 229.07248 |
| Splash: splash10-03e9-0980000000-c4f140811663e6e56cb1 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 211.17 | 455 | 18 | 1000 |
| 183.10 | 381 | 46 | 837 |
| 201.08 | 145 | 28 | 319 |
| 185.08 | 87 | 44 | 190 |
| 143.09 | 48 | 86 | 104 |
| 157.02 | 44 | 72 | 97 |
| 173.04 | 41 | 56 | 89 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 405.01321 |
| Splash: splash10-004i-0190000000-272ae76ab14cc04e37ce |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 229.10 | 346 | 176 | 1000 |
| 201.21 | 132 | 204 | 381 |
| 247.00 | 87 | 158 | 250 |
| 211.09 | 64 | 194 | 184 |
| 183.21 | 61 | 222 | 177 |
| 289.05 | 31 | 116 | 89 |
| 307.14 | 24 | 98 | 70 |
| 185.03 | 19 | 220 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.167 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Glyinflanin G |
| 0.118 | [Flavanone]-A(3OMe)-B(3OMe) | Flavanone | 5,6,7,3',4',5'-Hexamethoxyflavanone |
| 0.059 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Euchrenone a1 |
| 0.000 | [Dihydroflavonol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Dihydroflavonol | MS II |
| 0.000 | [Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Chalcone | Laxichalcone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OH, 3OMe) | Flavone | Psiadiarabicin |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavone | Gardenin C |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavone | 5,4'-Dihydroxy-6,7,8,3',5'-pentamethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavone | Agehoustin F |
| 0.000 | [Flavonol]-A(1OH, 3OMe)-B(2OMe) | Flavonol | 3,5-Dihydroxy-6,7,8,3',4'-pentamethoxyflavone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6-Methyl-6-(4-Hydroxy-4-methyl-2-pentenyl)pyrano)))-B(none) | 2'-Hydroxychalcone | Boesenbergin A |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6-Methyl-6-(4-Hydroxy-4-methyl-2-pentenyl)pyrano)))-B(none) | 2'-Hydroxychalcone | Boesenbergin B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 3OMe) | 2'-Hydroxychalcone | 2,2'-Dihydroxy-3,4,5,6'-tetramethoxy-3',4'-methylenedioxychalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin D |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(none) | Dihydrochalcone | Calomelanol C |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH) | Dihydrochalcone | Calomelanol B |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavone | Fulvinervin C |
| 0.000 | [Flavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavone | Laxifolin |
| 0.000 | [Flavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavone | Isolaxifolin |
| 0.000 | [Flavonol]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavonol | Sericetin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | Apuleirin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | Murrayanol |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 5,3'-Dihydroxy-3,6,7,4',5'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(2OH, 1OMe) | Flavonol | Apulein |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 6,5'-Dihydroxy-3,5,7,2',4'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 6,2'-Dihydroxy-3,5,7,4',5'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 5,5'-Dihidroxy-3,6,7,2',4'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | Brickellin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OMe) | Flavonol | Distemonatin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OMe) | Flavonol | Conyzatin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OMe) | Flavonol | 5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 5,4'-Dihydroxy-3,6,7,8,3'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OMe) | Flavonol | 5,7-Dihydroxy-3,6,8,3',4'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 5,4'-Dihydroxy-3,6,7,8,2'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 5,2'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone |
| 0.000 | [4-substituted Flavan (4-(4-Hydroxystyryl))]-A(2OMe)-B(1OH) | 4-substituted Flavan | 4'-Hydroxy-4-(4-hydroxystyryl)-5,7-dimethoxyflavan |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Osajin |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | Isoflavone | Chandalone |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Warangalone |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Isochandalone |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexone A |
| 0.000 | [Coumestan]-A(1OH, 1Geranyl)-B(1OH) | Coumestan | Puerarol |
| 0.000 | [4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-hydroxydihydropyrano)))-B(none) | 4-phenylcoumarin | Inophyllolide chromanol |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | 4-phenylcoumarin | 5-Hydroxy-10-prenyl-7,8-dihydro-7,8-trans-dimethyl-4-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Isovaleryl)-B(none) | 4-phenylcoumarin | Mammeigin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-Methylbutyroyl))-B(none) | 4-phenylcoumarin | 5-Hydroxy-6'',6''-dimethyl-6-(2-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin |