ピーク情報
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パセリ 根
pos
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| Peak #9059 MN MID: SE61_S24_M90 |
| m/z: 401.19332, RT: 87.37, 強度: 50542, ログ強度: 1.21, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (28 names) 11-Dihydro-12-norneoquassin;Isohumulinone A;8beta-Acetoxy-3beta-propionyloxyisocostic acid methyl ester;Irroratin A;(-)-Irroratin A;(2E)-2-[(4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)met... |
| DBごとのヒット数: ALL 23 KG 2 KN 12 HM 8 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.067, 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 |
|---|---|---|---|---|
| C21H30O6 | 378.20424 | -0.363 | 11-Dihydro-12-norneoquassin | HMDB: HMDB0036889 KNApSAcK: C00054987 |
| C21H30O6 | 378.20424 | -0.363 | Isohumulinone A | HMDB: HMDB0030045 |
| C21H30O6 | 378.20424 | -0.363 | 8beta-Acetoxy-3beta-propionyloxyisocostic acid methyl ester | KNApSAcK: C00022664 |
| C21H30O6 | 378.20424 | -0.363 | Irroratin A | KNApSAcK: C00050851 |
| C21H30O6 | 378.20424 | -0.363 | (2E)-2-[(4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid | HMDB: HMDB0251668 |
| C21H30O6 | 378.20424 | -0.363 | 18-Hydroxycortisol | HMDB: HMDB0000418 LipidMAPS: LMST02030193, LMST02030295 |
| C21H30O6 | 378.20424 | -0.363 | 3beta-Angeloyloxy-5alpha-hydroperoxycostic acid methyl ester | KNApSAcK: C00022671 |
| C21H30O6 | 378.20424 | -0.363 | 4-Acetoxyflexilin | KNApSAcK: C00011387 |
| C21H30O6 | 378.20424 | -0.363 | Methylmitrekaurenate | KNApSAcK: C00047996 |
| C21H30O6 | 378.20424 | -0.363 | hydroxycortisol | HMDB: HMDB0253262 |
| C21H30O6 | 378.20424 | -0.363 | Humulinone | HMDB: HMDB0030105 |
| C21H30O6 | 378.20424 | -0.363 | Pregn-4-ene-3,20-dione, 11,17,18,21-tetrahydroxy-, (11beta)- | HMDB: HMDB0259664 |
| C21H30O6 | 378.20424 | -0.363 | Verrol (terpene) | KNApSAcK: C00012632 |
| C21H30O6 | 378.20424 | -0.363 | (8S,9S,10S,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-2,3-dione | HMDB: HMDB0260196 |
| C21H30O6 | 378.20424 | -0.363 | Decipienolide A | KNApSAcK: C00045830, C00045831 |
| C21H30O6 | 378.20424 | -0.363 | Eremopetasitenin D1 | HMDB: HMDB0032770, HMDB0032773 KNApSAcK: C00049155 |
| C21H30O6 | 378.20424 | -0.363 | [4aR-[4aalpha,5alpha,6alpha(Z),8aalpha,9abeta]]-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-8a-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid | KNApSAcK: C00017442 |
| C21H30O6 | 378.20424 | -0.363 | 11alpha-Hydroxypoststerone | KNApSAcK: C00043147 LipidMAPS: LMST02030307 |
| C21H30O6 | 378.20424 | -0.363 | 6alpha-Hydroxycortisol | HMDB: HMDB0061033, HMDB0247074 KEGG: C15291 LipidMAPS: LMST02030269 |
| C21H30O6 | 378.20424 | -0.363 | 5beta-Pregnane-11beta,17alpha,21-triol-3,20-dione-18-al | LipidMAPS: LMST02030297 |
| C21H30O6 | 378.20424 | -0.363 | Sugetriol triacetate | HMDB: HMDB0040702 |
| C21H30O6 | 378.20424 | -0.363 | Nigakilactone A | KEGG: C17012 |
| C21H30O6 | 378.20424 | -0.363 | Divinorin F | KNApSAcK: C00041507 |
| C22H26O2N4 | 378.20558 | -3.900 | 3-(2-Aminoethyl)-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indol-1-amine | HMDB: HMDB0255401 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 401.19327 |
| Splash: splash10-0006-0009000000-d4a9394165181f4b4642 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 341.23 | 25921 | 60 | 1000 |
| 401.25 | 2215 | -0 | 85 |
| 281.24 | 1558 | 120 | 60 |
| 373.35 | 1451 | 28 | 55 |
| 383.49 | 1401 | 18 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.067 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | 3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone |
| 0.067 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Isotirumalin |
| 0.067 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Scariosin |
| 0.067 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Tirumalin |
| 0.056 | [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 |