ピーク情報
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イヌカタヒバ
pos
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| Peak #10510 MN MID: SE205_S02_M90 |
| m/z: 449.32643, RT: 92.47, 強度: 43157, ログ強度: 1.11, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (27 names) Igagenin;(7E)-(1S,3R)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-1,3,25-triol;3beta,7beta, 24-trihydroxycholest-5-en-25R-26-oic acid;3beta,7beta, 25-trihydroxycholest-5-en-26-oic acid;Convallagenin... |
| DBごとのヒット数: ALL 27 KG 3 KN 8 LM 16 |
| FlavonoidSearch最大スコア MS2: 0.125, MS3: 0.125 |
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 |
|---|---|---|---|---|
| C27H44O5 | 448.31887 | 0.616 | Igagenin | KNApSAcK: C00050813 |
| C27H44O5 | 448.31887 | 0.616 | (7E)-(1S,3R)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-1,3,25-triol | LipidMAPS: LMST03020302 |
| C27H44O5 | 448.31887 | 0.616 | 3beta,7beta, 24-trihydroxycholest-5-en-25R-26-oic acid | LipidMAPS: LMST04030236 |
| C27H44O5 | 448.31887 | 0.616 | 3beta,7beta, 25-trihydroxycholest-5-en-26-oic acid | LipidMAPS: LMST04030237 |
| C27H44O5 | 448.31887 | 0.616 | Convallagenin A | KEGG: C08890 KNApSAcK: C00003567 LipidMAPS: LMST01080034 |
| C27H44O5 | 448.31887 | 0.616 | 7beta,12alpha-Dihydroxy-3-oxo-5beta-cholestan-26-oic acid | LipidMAPS: LMST04030049, LMST04030050, LMST04030051, LMST04030245 |
| C27H44O5 | 448.31887 | 0.616 | (5Z,7E)-(1S,3R,23S,25R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,23,25,26-pentol | LipidMAPS: LMST03020306, LMST03020674 |
| C27H44O5 | 448.31887 | 0.616 | 2-Deoxyecdysone | KEGG: C16495 LipidMAPS: LMST01010182 |
| C27H44O5 | 448.31887 | 0.616 | Xestobergsterol A | KNApSAcK: C00050263 |
| C27H44O5 | 448.31887 | 0.616 | 7alpha,12alpha,24,25-Tetrahydroxycholest-4-en-3-one | LipidMAPS: LMST04030248 |
| C27H44O5 | 448.31887 | 0.616 | Anzurogenin D | KNApSAcK: C00054803 |
| C27H44O5 | 448.31887 | 0.616 | 3beta,14alpha,23S,25-tetrahydroxy-5beta-cholest-7-en-6-one | LipidMAPS: LMST01010600 |
| C27H44O5 | 448.31887 | 0.616 | 3alpha,7alpha,12alpha-Trihydroxy-5beta-24E-cholesten-26-oic acid | LipidMAPS: LMST04030064, LMST04030201 |
| C27H44O5 | 448.31887 | 0.616 | 5alpha-Spirostan-3beta,12beta,15alpha-triol | KNApSAcK: C00036016 |
| C27H44O5 | 448.31887 | 0.616 | 3beta,14alpha,20,25-tetrahydroxy-5alpha-cholest-7-en-6-one | LipidMAPS: LMST01010539, LMST01010562 |
| C27H44O5 | 448.31887 | 0.616 | Isoreineckiagenin | KNApSAcK: C00050987 |
| C27H44O5 | 448.31887 | 0.616 | 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholestan-26-oic acid | LipidMAPS: LMST04030052 |
| C27H44O5 | 448.31887 | 0.616 | Asperagenin | HMDB: HMDB0034293 KNApSAcK: C00054152 |
| C27H44O5 | 448.31887 | 0.616 | 3alpha,7alpha-Dihydroxy-12-oxo-5alpha-cholestan-26-oic acid | LipidMAPS: LMST04030129 |
| C27H44O5 | 448.31887 | 0.616 | Digitogenin | KEGG: C08896 KNApSAcK: C00003573 LipidMAPS: LMST01080004 |
| C27H44O5 | 448.31887 | 0.616 | 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-23-en-26-oic acid | LipidMAPS: LMST04030065, LMST04030186 |
| C27H44O5 | 448.31887 | 0.616 | (25R)-5beta-spirostan-2beta,3beta,11alpha-triol | LipidMAPS: LMST01080028, LMST01080029 |
| C27H44O5 | 448.31887 | 0.616 | (25R)-5alpha-spirostan-3beta,6alpha,23R-triol | LipidMAPS: LMST01080021, LMST01080046, LMST01080051, LMST01080052, LMST01080073 |
| C27H44O5 | 448.31887 | 0.616 | Agigenin | HMDB: HMDB0032783 KNApSAcK: C00050327, C00050386, C00050387, C00050397 LipidMAPS: LMST01080001, LMST01080015, LMST01080022 |
| C27H44O5 | 448.31887 | 0.616 | (25S)-spirostan-1beta,2beta,3alpha-triol | LipidMAPS: LMST01080027, LMST01080036 |
| C27H44O5 | 448.31887 | 0.616 | Agavegenin B | KNApSAcK: C00054670 |
| C27H44O5 | 448.31887 | 0.616 | (7E)-(1S,3R,24R)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-1,3,24-triol | LipidMAPS: LMST03020301 |
| C27H44O5 | 448.31887 | 0.616 | (22R)-2beta,3beta,14,22-tetrahydroxy-5beta-cholest-7-en-6-one | LipidMAPS: LMST01010187 |
| C27H44O5 | 448.31887 | 0.616 | Cholesta-7,14-diene-3beta,5alpha,6alpha,20,25-pentaol | LipidMAPS: LMST01010437 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 449.32635 |
| Splash: splash10-001i-0020900000-e392119828c72b1df7f6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 431.10 | 2794 | 18 | 1000 |
| 285.18 | 656 | 164 | 234 |
| 146.92 | 207 | 302 | 74 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.125 | [Flavone]-A(2OH, 1(C-Glu))-B(2OH) | Flavone | Isoorientin |
| 0.125 | [Flavone]-A(2OH, 1(C-Glu))-B(2OH) | Flavone | Orientin |
| 0.125 | [Flavonol]-A(1OH, 1(C-Glu))-B(2OH) | Flavonol | Fisetin 8-C-glucoside |
| 0.125 | [Flavonol]-A(2OH, 1(C-Glu))-B(1OH) | Flavonol | 6-C-Glucopyranosylkaempferol |
| 0.125 | [Flavonol]-A(2OH, 1(C-Glu))-B(1OH) | Flavonol | 8-C-beta-D-Glucopyranosylkaempferol |
| 0.125 | [Isoflavone]-A(2OH, 1(C-Glu))-B(2OH) | Isoflavone | 6-C-Glucosylorobol |
| 0.125 | [Isoflavone]-A(2OH, 1(C-Glu))-B(2OH) | Isoflavone | 8-C-Glucosylorobol |
| 0.125 | [Anthocyanidin]-A(2OH, 1(C-Glu))-B(2OH) | Anthocyanidin | 8-C-Glucosylcyanidin |
| 0.077 | [Chalcone]-A(4OMe)-B(4OMe) | Chalcone | 2,3,4,5,2',3',4',6'-Octamethoxychalcone |
| 0.000 | [Flavone]-A(4OMe)-B(1OH, 3OMe) | Flavone | Agehoustin C |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH) | Flavone | 6-C-Galactosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH) | Flavone | 8-C-Galactosylluteolin |
| 0.000 | [Flavone]-A(3OH, 1(C-Galactosyl))-B(1OH) | Flavone | 6-C-Galactosylisoscutellarein |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartomunin |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artomunoxanthone |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artonol E |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Cycloartomunoxanthone |
| 0.000 | [UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone | Artonin P |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(1OH, 2OMe) | Flavonol | 3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 4-Hydroxy-3-phenylcoumarin | Lonchocarpenin |
| Level: 3, プリカーサーm/z: 431.08633 |
| Splash: splash10-0002-0900100000-92e0dd868151265877be |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 146.92 | 3488 | 284 | 1000 |
| 413.38 | 442 | 18 | 126 |
| 165.09 | 220 | 266 | 63 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.125 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none) | Flavone | Kaplanin |
| 0.125 | [Isoflavone]-A(1OH, 1(C-Glu))-B(1OMe) | Isoflavone | Puerarin 4'-methyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | Isomollupentin 7,4'-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | 7,4'-Di-O-Methylisomollupentin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OH) | Flavone | 8-C-Rhamnosylgenkwanin |
| 0.000 | [Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(2OH) | Flavone | Derhamnosylmaysin |
| 0.000 | [Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(2OH) | Flavone | 6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)luteolin |
| 0.000 | [Flavone]-A(2OH, 1(2,6-Dideoxy-beta-L-xylo-hexopyranosyl))-B(1OH, 1OMe) | Flavone | Alternanthin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(3-hydroxy-3-methylbutyl)) | Flavonol | Aliarin 4'-methyl ether |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OMe, 1(4-hydroxy-3-methylbutyl)) | Flavonol | 3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | 3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<1,6-Dihydroxy-2-cyclohexene-1-carbonyl>)) | Flavan 3-ol | Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate) |