ピーク情報
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イネ 葉 コシヒカリ
pos
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| Peak #4719 MN MID: SE199_S31_M90 |
| m/z: 401.15968, RT: 50.19, 強度: 34467, ログ強度: 0.98, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| 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: 0.077, MS3: 0.188 |
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 | 0.472 | Ferupennin M | KNApSAcK: C00045944 |
| C22H26O8 | 418.16277 | 0.472 | Hispidunolide B | KNApSAcK: C00046767 |
| C22H26O8 | 418.16277 | 0.472 | 3alpha,4alpha-Epoxy-8beta-hydroxy-9beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin | KNApSAcK: C00020568 |
| C22H26O8 | 418.16277 | 0.472 | Eupachifolin B | KNApSAcK: C00020501 |
| C22H26O8 | 418.16277 | 0.472 | (R)-Byakangelicinn 2'-(3-methylbutanoate) | HMDB: HMDB0039068 |
| C22H26O8 | 418.16277 | 0.472 | Ferupennin G | KNApSAcK: C00045938 |
| C22H26O8 | 418.16277 | 0.472 | Guaiaglehnin A | KNApSAcK: C00030435 |
| C22H26O8 | 418.16277 | 0.472 | Eupahakonesin | KNApSAcK: C00020502 |
| C22H26O8 | 418.16277 | 0.472 | (+)-Syringaresinol | HMDB: HMDB0038928, HMDB0303494 KEGG: C10889 KNApSAcK: C00000625, C00000627, C00002631, C00044152, C00053808 |
| C22H26O8 | 418.16277 | 0.472 | Ferupennin I | KNApSAcK: C00045940 |
| C22H26O8 | 418.16277 | 0.472 | Teumassin | KNApSAcK: C00050250 |
| C22H26O8 | 418.16277 | 0.472 | Skutchiolide A | KNApSAcK: C00020846 |
| C22H26O8 | 418.16277 | 0.472 | Ferupennin L | KNApSAcK: C00045943 |
| C22H26O8 | 418.16277 | 0.472 | Ferupennin E | KNApSAcK: C00045936 |
| C22H26O8 | 418.16277 | 0.472 | Deoxygraminiliatrin | KNApSAcK: C00020596 |
| C22H26O8 | 418.16277 | 0.472 | Zoapatanolide D | KNApSAcK: C00020697 |
| C22H26O8 | 418.16277 | 0.472 | Euparotin acetate | KEGG: C09435 KNApSAcK: C00003273 |
| C22H26O8 | 418.16277 | 0.472 | 3alpha,4alpha-Epoxy-9beta-hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin | KNApSAcK: C00020567 |
| C22H26O8 | 418.16277 | 0.472 | Ferupennin H | KNApSAcK: C00045939 |
| C22H26O8 | 418.16277 | 0.472 | Liatrin | KEGG: C09493 KNApSAcK: C00003315 |
| C22H26O8 | 418.16277 | 0.472 | Teucrolivin H | KNApSAcK: C00032314 |
| C22H26O8 | 418.16277 | 0.472 | (-)-Furaquinocin H | KNApSAcK: C00017088 |
| C22H26O8 | 418.16277 | 0.472 | Magnostellin B | KNApSAcK: C00033151 |
| C22H26O8 | 418.16277 | 0.472 | Comazaphilone B | KNApSAcK: C00052938 |
| C22H26O8 | 418.16277 | 0.472 | Jamaicolide A | KNApSAcK: C00020859 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 401.15958 |
| Splash: splash10-001i-0009000000-399fab2c64fd36e1519b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 383.17 | 138661 | 18 | 1000 |
| 371.28 | 8141 | 30 | 58 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.077 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | 3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone |
| 0.077 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Isotirumalin |
| 0.077 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Scariosin |
| 0.077 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Tirumalin |
| 0.063 | [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: 383.18088 |
| Splash: splash10-0gb9-0019000000-5532771c933dba72f2f2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 368.20 | 27271 | 15 | 1000 |
| 351.21 | 25755 | 32 | 944 |
| 323.22 | 8309 | 60 | 304 |
| 319.12 | 6590 | 64 | 241 |
| 291.14 | 6370 | 92 | 233 |
| 350.18 | 4162 | 33 | 152 |
| 229.13 | 3046 | 154 | 111 |
| 263.12 | 2990 | 120 | 109 |
| 308.25 | 2882 | 75 | 105 |
| 353.16 | 2866 | 30 | 105 |
| 336.11 | 2654 | 47 | 97 |
| 352.16 | 2244 | 31 | 82 |
| 337.21 | 1445 | 46 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.188 | [Isoflavone]-A(1OH)-B(1OH, 2OMe, 1(C-Prenyl)) | Isoflavone | Licoricone |
| 0.188 | [Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavone | 7,3'-Dihydroxy-5,4'-dimethoxy-5'-prenylisoflavone |
| 0.188 | [Isoflavone]-A(2OH)-B(2OMe, 1(C-Prenyl)) | Isoflavone | Piscerythrinetin |
| 0.095 | [Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavone | Artocarpetin B |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Pterocarpan | Desmodin |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(2OH)-B(2OH, 1OMe) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artoindonesianin T |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artonin K |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none)-C(1(O-Acetyl)) | Dihydroflavonol | 6-Prenylpinobanksin 3-O-acetate |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | Velloquercetin 4'-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Flavonol | Velloquercetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavonol | Sarothranol |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neoraucarpanol |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautanin |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Hildecarpidin |
| 0.000 | [12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | 12a-Hydroxypachyrrhizone |
| 0.000 | [12a-Hydroxyrotenone (3-OMe)]-A(1([2,3:@@]-Furano))-B(2OMe) | 12a-Hydroxyrotenone | Neobanone |
| 0.000 | [Coumaranochromon]-A(2OH)-B(2OH, 1(C-Prenyl)) | Coumaranochromon | Lisetin |
| 0.000 | [3-Phenylcoumarin]-A(2OMe, 1(C-Prenyl))-B(2OH) | 3-Phenylcoumarin | Glycyrin |