ピーク情報
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くるみ いり
pos
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| Peak #4877 MN MID: SE170_S050141_M90 |
| m/z: 407.27944, RT: 81.17, 強度: 7258, ログ強度: 0.36, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 15 |
| DB検索結果: (18 names) 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid;1beta-Hydroxycholic acid;3alpha,5beta,7alpha,12alpha-Tetrahydroxycholan-24-oic Acid;GEX 1Q5;3alpha,7alpha,12alpha,16alpha-tetrahydroxy-5beta-cholan-24-oic A... |
| DBごとのヒット数: ALL 15 KG 1 KN 2 HM 2 LM 10 |
| FlavonoidSearch最大スコア MS2: 0.048, 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 |
|---|---|---|---|---|
| C24H40O6 | 424.28249 | 0.570 | 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid | HMDB: HMDB0000311, HMDB0000437 LipidMAPS: LMST04010116, LMST04010117 |
| C24H40O6 | 424.28249 | 0.570 | 1beta-Hydroxycholic acid | HMDB: HMDB0000307, HMDB0000433 LipidMAPS: LMST04010114 |
| C24H40O6 | 424.28249 | 0.570 | 3alpha,5beta,7alpha,12alpha-Tetrahydroxycholan-24-oic Acid | LipidMAPS: LMST04010419 |
| C24H40O6 | 424.28249 | 0.570 | GEX 1Q5 | KNApSAcK: C00015097 |
| C24H40O6 | 424.28249 | 0.570 | 3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid | HMDB: HMDB0000367, HMDB0000377, HMDB0000399 LipidMAPS: LMST04010118, LMST04010119, LMST04010120, LMST04010121, LMST04010122, LMST04010123, LMST04010124, LMST04010125 |
| C24H40O6 | 424.28249 | 0.570 | 3alpha,7alpha,12alpha,16alpha-tetrahydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010448 |
| C24H40O6 | 424.28249 | 0.570 | 3a,7b,21-Trihydroxy-5b-cholanoic acid | HMDB: HMDB0013192 |
| C24H40O6 | 424.28249 | 0.570 | 1b,3a,7b-Trihydroxy-5b-cholanoic acid | HMDB: HMDB0013158 |
| C24H40O6 | 424.28249 | 0.570 | 2chi,3alpha,6alpha,7alpha-Tetrahydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010252 |
| C24H40O6 | 424.28249 | 0.570 | alpha-Phocaecholic acid | KEGG: C17651 LipidMAPS: LMST04010254, LMST04010261, LMST04030212 |
| C24H40O6 | 424.28249 | 0.570 | 3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid | HMDB: HMDB0000340 LipidMAPS: LMST04010126 |
| C24H40O6 | 424.28249 | 0.570 | Muqubilone | KNApSAcK: C00045620, C00046172 |
| C24H40O6 | 424.28249 | 0.570 | (23R)-3alpha,7alpha,17alpha,23-Tetrahydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010421 |
| C24H40O6 | 424.28249 | 0.570 | 2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid | HMDB: HMDB0000316 LipidMAPS: LMST04010115, LMST04010294 |
| C24H40O6 | 424.28249 | 0.570 | (23R)-3alpha,5beta,7alpha,23-Tetrahydroxycholan-24-oic Acid | LipidMAPS: LMST04010420 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 407.27917 |
| Splash: splash10-0079-0009000000-7b2b267ed8a6dbeafbd4 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 389.26 | 3227 | 18 | 1000 |
| 371.30 | 1675 | 36 | 519 |
| 353.38 | 457 | 54 | 141 |
| 347.29 | 230 | 60 | 71 |
| 343.36 | 206 | 64 | 63 |
| 321.41 | 183 | 86 | 56 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.048 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavone | Gancaonin Q |
| 0.048 | [Flavone]-A(2OH)-B(1OH, 2(C-Prenyl)) | Flavone | Honyucitrin |
| 0.045 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Isoflavone | Lupalbigenin |
| 0.045 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Isoflavone | Isolupalbigenin |
| 0.045 | [Isoflavone]-A(2OH)-B(1OH, 2(C-Prenyl)) | Isoflavone | 3',5'-Diprenylgenistein |
| 0.045 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OH) | Isoflavone | 6,8-Diprenylgenistein |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OMe, 1(C-Prenyl)) | Pterocarpan | Erycristin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | 2'-Hydroxychalcone | Flemiwallichin D |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1Geranyl)-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol F |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Paratocarpin F |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Angusticornin A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | 3,2',4'-Trihydroxy-6'',6''-dimethyl-3'-prenylpyrano[2'',3'':4,5]chalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 2'-Hydroxychalcone | 2,4,2'-Trihydroxy-6'',6''-dimethyl-3'-prenylpyrano[2'',3'':4',5']chalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH) | 2'-Hydroxychalcone | Flemingin A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-Hydroxy-4-methyl-2-pentenyl)pyrano)))-B(none) | 2'-Hydroxychalcone | Flemiwallichin F |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH) | 2'-Hydroxychalcone | Flemingin D |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none) | 2'-Hydroxychalcone | 2',6'-Dihydroxy-3'-(1-p-menthen-3-yl)-4'-methoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Sericone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Xanthohumol E |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin C |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | beta-Hydroxy(or Oxodihydro)chalcone | Glycyrdione B |
| 0.000 | [UBR-type derivative / 2',4'-Dioxo-5'-enyl-0-hydroxy-type Chalcone]-A(1OMe, 2(C-Prenyl))-B(none) | UBR-type derivative / 2',4'-Dioxo-5'-enyl-0-hydroxy-type Chalcone | Tunicatachalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-Isopropyl-7a-methyl-3a,4,5,7a-tetrahydrobenzofurano)))-B(none) | Dihydrochalcone | Adunctin B |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(8-Isopropyl-1-oxaspiro[4.5]-2,6-decadieno)))-B(none) | Dihydrochalcone | Adunctin C |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | Grenoblone |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Minimiflorin |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Cajaflavanone |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Lupinifolin |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | Flavanone | Euchrenone a2 |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Paratocarpin H |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | Flavanone | Paratocarpin I |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH) | Flavanone | Cycloaltilisin 7 |
| 0.000 | [3-substituted Flavone (3-Geranyl)]-A(1OH)-B(2OH) | 3-substituted Flavone | Rubraflavone A |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(5-Methoxy-6-methyl-4-oxo-4H-pyran-3-yl))-B(none) | Flavone | Hoslundin |
| 0.000 | [Flavone]-A(2OH)-B(1OH, 1Geranyl) | Flavone | Kuwanone S |
| 0.000 | [Dihydroflavonol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | Dihydroflavonol | Kanzonol Z |
| 0.000 | [Dihydroflavonol]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Dihydroflavonol | Mundulinol |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,7,3',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,6,3',5'-Tetrahydroxy-3,7,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,7,4',5'-Tetrahydroxy-3,6,8,2'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH, 1OMe) | Isoflavan | Heminitidulan |
| 0.000 | [6-Oxodehydrorotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 6-Oxodehydrorotenone | Rotenonone |
| 0.000 | [4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1Isovaleryl)-B(none) | 4-phenylcoumarin | Mammeisin |
| 0.000 | [4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1(2-Methylbutyroyl))-B(none) | 4-phenylcoumarin | 5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methylbutyryl)-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1Isovaleryl)-B(none) | 4-phenylcoumarin | Mammea A/BA |
| 0.000 | [4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1(2-Methylbutyroyl))-B(none) | 4-phenylcoumarin | Mammea A/BB |