ピーク情報
|
＜アルコール飲料類＞（蒸留酒類）ウイスキー
pos
|
| Peak #206 MN MID: SE117_S160161_M90 |
| m/z: 401.15914, RT: 48.88, 強度: 1066, ログ強度: -0.26, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 4 |
| 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: 0.045, MS3: 0.333 |
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 | -0.801 | Ferupennin M | KNApSAcK: C00045944 |
| C22H26O8 | 418.16277 | -0.801 | Hispidunolide B | KNApSAcK: C00046767 |
| C22H26O8 | 418.16277 | -0.801 | 3alpha,4alpha-Epoxy-8beta-hydroxy-9beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin | KNApSAcK: C00020568 |
| C22H26O8 | 418.16277 | -0.801 | Eupachifolin B | KNApSAcK: C00020501 |
| C22H26O8 | 418.16277 | -0.801 | (R)-Byakangelicinn 2'-(3-methylbutanoate) | HMDB: HMDB0039068 |
| C22H26O8 | 418.16277 | -0.801 | Ferupennin G | KNApSAcK: C00045938 |
| C22H26O8 | 418.16277 | -0.801 | Guaiaglehnin A | KNApSAcK: C00030435 |
| C22H26O8 | 418.16277 | -0.801 | Eupahakonesin | KNApSAcK: C00020502 |
| C22H26O8 | 418.16277 | -0.801 | (+)-Syringaresinol | HMDB: HMDB0038928, HMDB0303494 KEGG: C10889 KNApSAcK: C00000625, C00000627, C00002631, C00044152, C00053808 |
| C22H26O8 | 418.16277 | -0.801 | Ferupennin I | KNApSAcK: C00045940 |
| C22H26O8 | 418.16277 | -0.801 | Teumassin | KNApSAcK: C00050250 |
| C22H26O8 | 418.16277 | -0.801 | Skutchiolide A | KNApSAcK: C00020846 |
| C22H26O8 | 418.16277 | -0.801 | Ferupennin L | KNApSAcK: C00045943 |
| C22H26O8 | 418.16277 | -0.801 | Ferupennin E | KNApSAcK: C00045936 |
| C22H26O8 | 418.16277 | -0.801 | Deoxygraminiliatrin | KNApSAcK: C00020596 |
| C22H26O8 | 418.16277 | -0.801 | Zoapatanolide D | KNApSAcK: C00020697 |
| C22H26O8 | 418.16277 | -0.801 | Euparotin acetate | KEGG: C09435 KNApSAcK: C00003273 |
| C22H26O8 | 418.16277 | -0.801 | 3alpha,4alpha-Epoxy-9beta-hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin | KNApSAcK: C00020567 |
| C22H26O8 | 418.16277 | -0.801 | Ferupennin H | KNApSAcK: C00045939 |
| C22H26O8 | 418.16277 | -0.801 | Liatrin | KEGG: C09493 KNApSAcK: C00003315 |
| C22H26O8 | 418.16277 | -0.801 | Teucrolivin H | KNApSAcK: C00032314 |
| C22H26O8 | 418.16277 | -0.801 | (-)-Furaquinocin H | KNApSAcK: C00017088 |
| C22H26O8 | 418.16277 | -0.801 | Magnostellin B | KNApSAcK: C00033151 |
| C22H26O8 | 418.16277 | -0.801 | Comazaphilone B | KNApSAcK: C00052938 |
| C22H26O8 | 418.16277 | -0.801 | Jamaicolide A | KNApSAcK: C00020859 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 401.15894 |
| Splash: splash10-014i-0198000000-f5f2c264a37f05d97766 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 219.09 | 1869 | 182 | 1000 |
| 369.22 | 1490 | 32 | 796 |
| 217.07 | 675 | 184 | 361 |
| 337.14 | 625 | 64 | 334 |
| 231.08 | 460 | 170 | 246 |
| 183.08 | 420 | 218 | 224 |
| 309.14 | 206 | 92 | 110 |
| 305.10 | 194 | 96 | 103 |
| 307.20 | 164 | 94 | 87 |
| 351.21 | 131 | 50 | 70 |
| 382.72 | 108 | 18 | 57 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.045 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | 3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone |
| 0.045 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Isotirumalin |
| 0.045 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Scariosin |
| 0.045 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Tirumalin |
| 0.040 | [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 |
| Level: 3, プリカーサーm/z: 219.07872 |
| Splash: splash10-000i-0910000000-cde22a5de9bb6b71d31e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 187.11 | 247 | 32 | 1000 |
| 204.13 | 132 | 15 | 535 |
| 159.03 | 107 | 60 | 433 |
| 186.03 | 76 | 33 | 307 |
| 131.03 | 53 | 88 | 215 |
| 158.08 | 52 | 61 | 208 |
| 141.08 | 41 | 78 | 165 |
| 174.94 | 20 | 44 | 80 |
| 176.07 | 15 | 43 | 61 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 369.15396 |
| Splash: splash10-0k9i-0019000000-0cf462ca66db99143054 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 337.14 | 234 | 32 | 1000 |
| 351.25 | 149 | 18 | 637 |
| 217.14 | 88 | 152 | 376 |
| 309.18 | 82 | 60 | 348 |
| 354.12 | 65 | 15 | 278 |
| 307.14 | 62 | 62 | 265 |
| 305.19 | 54 | 64 | 232 |
| 339.31 | 31 | 30 | 133 |
| 323.39 | 25 | 46 | 109 |
| 277.27 | 25 | 92 | 107 |
| 341.23 | 20 | 28 | 86 |
| 205.20 | 17 | 164 | 72 |
| 325.29 | 15 | 44 | 62 |
| 295.19 | 14 | 74 | 59 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.333 | [Isoflavone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavone | 2'-Deoxypiscerythrone |
| 0.333 | [Isoflavone]-A(1OH, 1OMe)-B(2OH, 1(C-Prenyl)) | Isoflavone | Glisoflavone |
| 0.333 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavone | Gancaonin B |
| 0.333 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavone | 5,7,4'-Trihydroxy-3'-methoxy-8-prenylisoflavone |
| 0.333 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavone | Gancaonin N |
| 0.333 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | Isoflavone | Barpisoflavone B |
| 0.333 | [Isoflavone]-A(1OH)-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Kwakhurin |
| 0.179 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OMe) | Flavonol | Noranhydroicaritin 4'-methyl ether |
| 0.179 | [Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavonol | Sophoflavescenol |
| 0.179 | [Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavonol | Isoanhydroicaritin |
| 0.143 | [Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavanone | Glycyrrhisoflavanone |
| 0.143 | [Isoflavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavanone | Isosophoronol |
| 0.136 | [Flavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Abyssinin I |
| 0.087 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| 0.077 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | 4'-O-Methylxanthohumol |
| 0.074 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe) | Flavanone | Flowerine |
| 0.048 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavone | Cannflavin B |
| 0.042 | [Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe) | Pterocarpan | Edulenol |
| 0.000 | [Flavanone]-A(2OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavanone | Quercetol C |
| 0.000 | [Flavanone]-A(2OMe, 1(3-Methyl-2,3-epoxybutyl))-B(none) | Flavanone | Epoxycandidone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Hydroxymethyl)-B(1OH) | Flavanone | 4',5-Dihydroxy-8-hydroxymethyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone |
| 0.000 | [UBR-type derivative / 7-Oxo-cyclohex-4a-enyl-type Flavanone]-A(1OH, 2Methyl, 1(1-Methyl-1-([5,4;6,5]-tetrahydrofuran-3-yl)-ethyl))-B(none) | UBR-type derivative / 7-Oxo-cyclohex-4a-enyl-type Flavanone | Louisfieserone A |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH, 1OMe) | Flavone | Ciliatin B |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe)-B(2OH) | 3-substituted Flavone | Integrin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH)-B(2OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cyclochampedol |
| 0.000 | [CCS-type derivative / [2',3]-(Epoxy-1,1-dimethylpropyno)flavone]-A(1OH, 1OMe)-B(1OH) | CCS-type derivative / [2',3]-(Epoxy-1,1-dimethylpropyno)flavone | Cyclointegrin |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(2OH)-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artoindonesianin P |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavonol | Topazolin |
| 0.000 | [Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(1OMe) | Flavonol | 3,5,7-Trihydroxy-4'-methoxy-8-(1,1-dimethylprop-2-en-1-yl)flavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH) | Flavonol | Ugonin C |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Flavonol | Velloquercetin |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(2OMe, 1(C-Prenyl))-B(none) | Flavan 4-ol | Quercetol B |
| 0.000 | [Flavan-2-ol (2-OMe)]-A(2OMe, 1(C-Prenyl))-B(none) | Flavan-2-ol | Tephrowatsin D |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Isoflavan | Sphaerosinin |
| 0.000 | [Isoflavan]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Leiocinol |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautanol |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OMe) | Pterocarpan | Edulane |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OMe) | Pterocarpan-6a-ol | 9-O-Methylglyceofuran |
| 0.000 | [Coumestan]-A(1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))-B(1OH) | Coumestan | Corylidin |
| 0.000 | [Rotenone]-A(1OH, 1([2,3:@@]-Furano))-B(2OMe) | Rotenone | Malaccol |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-Furano))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Hydroxyerosone |
| 0.000 | [Coumaranochromon]-A(2OH)-B(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Coumaranochromon | Lupinalbin E |
| 0.000 | [Coumaranochromon]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Coumaranochromon | Lupinalbin C |
| 0.000 | [3-Phenylcoumarin]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | 3-Phenylcoumarin | Glycycoumarin |
| 0.000 | [3-Phenylcoumarin]-A(1OH, 1OMe, 1(1,1-Dimethylallyl))-B(2OH) | 3-Phenylcoumarin | Licoarylcoumarin |
| 0.000 | [3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH) | 3-Phenylcoumarin | Isoglycycoumarin |