ピーク情報
|
＜アルコール飲料類＞（蒸留酒類）ウイスキー
pos
|
| Peak #205 MN MID: SE117_S160161_M90 |
| m/z: 419.16978, RT: 48.83, 強度: 7070, ログ強度: 0.56, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 9 |
| DB検索結果: (35 names) Ferupennin M;(+)-Ferupennin M;Hispidunolide B;(-)-Hispidunolide B;3alpha,4alpha-Epoxy-8beta-hydroxy-9beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin;Eupachifolin B;Ferupennin G;(+)-Ferupennin G;... |
| DBごとのヒット数: ALL 25 KG 3 KN 21 HM 1 |
| 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 |
|---|---|---|---|---|
| C22H26O8 | 418.16277 | -0.625 | Ferupennin M | KNApSAcK: C00045944 |
| C22H26O8 | 418.16277 | -0.625 | Hispidunolide B | KNApSAcK: C00046767 |
| C22H26O8 | 418.16277 | -0.625 | 3alpha,4alpha-Epoxy-8beta-hydroxy-9beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin | KNApSAcK: C00020568 |
| C22H26O8 | 418.16277 | -0.625 | Eupachifolin B | KNApSAcK: C00020501 |
| C22H26O8 | 418.16277 | -0.625 | (R)-Byakangelicinn 2'-(3-methylbutanoate) | HMDB: HMDB0039068 |
| C22H26O8 | 418.16277 | -0.625 | Ferupennin G | KNApSAcK: C00045938 |
| C22H26O8 | 418.16277 | -0.625 | Guaiaglehnin A | KNApSAcK: C00030435 |
| C22H26O8 | 418.16277 | -0.625 | Eupahakonesin | KNApSAcK: C00020502 |
| C22H26O8 | 418.16277 | -0.625 | (+)-Syringaresinol | HMDB: HMDB0038928, HMDB0303494 KEGG: C10889 KNApSAcK: C00000625, C00000627, C00002631, C00044152, C00053808 |
| C22H26O8 | 418.16277 | -0.625 | Ferupennin I | KNApSAcK: C00045940 |
| C22H26O8 | 418.16277 | -0.625 | Teumassin | KNApSAcK: C00050250 |
| C22H26O8 | 418.16277 | -0.625 | Skutchiolide A | KNApSAcK: C00020846 |
| C22H26O8 | 418.16277 | -0.625 | Ferupennin L | KNApSAcK: C00045943 |
| C22H26O8 | 418.16277 | -0.625 | Ferupennin E | KNApSAcK: C00045936 |
| C22H26O8 | 418.16277 | -0.625 | Deoxygraminiliatrin | KNApSAcK: C00020596 |
| C22H26O8 | 418.16277 | -0.625 | Zoapatanolide D | KNApSAcK: C00020697 |
| C22H26O8 | 418.16277 | -0.625 | Euparotin acetate | KEGG: C09435 KNApSAcK: C00003273 |
| C22H26O8 | 418.16277 | -0.625 | 3alpha,4alpha-Epoxy-9beta-hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin | KNApSAcK: C00020567 |
| C22H26O8 | 418.16277 | -0.625 | Ferupennin H | KNApSAcK: C00045939 |
| C22H26O8 | 418.16277 | -0.625 | Liatrin | KEGG: C09493 KNApSAcK: C00003315 |
| C22H26O8 | 418.16277 | -0.625 | Teucrolivin H | KNApSAcK: C00032314 |
| C22H26O8 | 418.16277 | -0.625 | (-)-Furaquinocin H | KNApSAcK: C00017088 |
| C22H26O8 | 418.16277 | -0.625 | Magnostellin B | KNApSAcK: C00033151 |
| C22H26O8 | 418.16277 | -0.625 | Comazaphilone B | KNApSAcK: C00052938 |
| C22H26O8 | 418.16277 | -0.625 | Jamaicolide A | KNApSAcK: C00020859 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 419.16974 |
| Splash: splash10-0udi-0000900000-c932c39fee959f5f7f3d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 401.18 | 18594 | 18 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 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 | [Flavonol]-A(4OMe)-B(2OMe) | Flavonol | Natsudaidain |
| 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: 401.18536 |
| Splash: splash10-014i-0198000000-8370408c93e5d54796bd |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 219.04 | 3337 | 182 | 1000 |
| 369.15 | 3119 | 32 | 934 |
| 337.23 | 1274 | 64 | 381 |
| 217.03 | 1232 | 184 | 369 |
| 231.07 | 1153 | 170 | 345 |
| 182.99 | 757 | 218 | 226 |
| 305.20 | 293 | 96 | 87 |
| 309.21 | 291 | 92 | 87 |
| 307.25 | 277 | 94 | 83 |
| 351.21 | 274 | 50 | 82 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | 3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Isotirumalin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Scariosin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Tirumalin |
| 0.000 | [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 |