ピーク情報
|
ポプラ, 幼植物, 地上部
pos
|
| Peak #8963 MN MID: SE205_S08_M90 |
| m/z: 407.27921, RT: 93.83, 強度: 4875, ログ強度: 0.09, 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: (39 names) 2beta,3beta-Dihydroxy-6-oxo-5alpha-cholan-24-oic Acid;3beta,7alpha,12alpha-Trihydroxychol-5-en-24-oic Acid;3alpha,12alpha,15beta-Trihydroxy-5beta-chol-8(14)-en-24-oic Acid;7-Ketodeoxycholic acid;18-Is... |
| DBごとのヒット数: ALL 37 KG 3 KN 14 HM 2 LM 18 |
| FlavonoidSearch最大スコア MS2: 0.100, 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 |
|---|---|---|---|---|
| C24H38O5 | 406.27192 | 0.018 | 2beta,3beta-Dihydroxy-6-oxo-5alpha-cholan-24-oic Acid | LipidMAPS: LMST04010172 |
| C24H38O5 | 406.27192 | 0.018 | 3beta,7alpha,12alpha-Trihydroxychol-5-en-24-oic Acid | LipidMAPS: LMST04010227 |
| C24H38O5 | 406.27192 | 0.018 | 3alpha,12alpha,15beta-Trihydroxy-5beta-chol-8(14)-en-24-oic Acid | LipidMAPS: LMST04010358 |
| C24H38O5 | 406.27192 | 0.018 | 7-Oxodeoxycholate | HMDB: HMDB0000391 KEGG: C04643 LipidMAPS: LMST04010184, LMST04010185, LMST04010186, LMST04010187 |
| C24H38O5 | 406.27192 | 0.018 | 18-Isobutyloxygrindelic acid | KNApSAcK: C00022633 |
| C24H38O5 | 406.27192 | 0.018 | Isolinaritriol 15,16-diacetate | KNApSAcK: C00023492 |
| C24H38O5 | 406.27192 | 0.018 | 3alpha,12beta-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010188, LMST04010374 |
| C24H38O5 | 406.27192 | 0.018 | Isolinaritriol 12,15-diacetate | KNApSAcK: C00023491 |
| C24H38O5 | 406.27192 | 0.018 | Dihydromonacolin MV | KNApSAcK: C00054416 |
| C24H38O5 | 406.27192 | 0.018 | 3alpha,7alpha-Dihydroxy-6-oxo-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010174, LMST04010175 |
| C24H38O5 | 406.27192 | 0.018 | Ardisianone | KEGG: C10298 KNApSAcK: C00002793 LipidMAPS: LMPK15050004 |
| C24H38O5 | 406.27192 | 0.018 | 3alpha,7alpha-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010354 |
| C24H38O5 | 406.27192 | 0.018 | 3alpha,12alpha-Dihydroxy-15-oxo-5beta,14beta-cholan-24-oic Acid | LipidMAPS: LMST04010189 |
| C24H38O5 | 406.27192 | 0.018 | 5,9-Diacetoxygeranyllinalol | KNApSAcK: C00022083 |
| C24H38O5 | 406.27192 | 0.018 | 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate | HMDB: HMDB0000400 KEGG: C01292 LipidMAPS: LMST04010176, LMST04010177, LMST04010178, LMST04010179, LMST04010180, LMST04010181, LMST04010182, LMST04010183 |
| C24H38O5 | 406.27192 | 0.018 | 3alpha,7alpha,12alpha-Trihydroxy-5alpha-chol-22-en-24-oic acid | LipidMAPS: LMST04010232, LMST04010307 |
| C24H38O5 | 406.27192 | 0.018 | 3alpha,6alpha-Dihydroxy-7-oxo-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010173 |
| C24H38O5 | 406.27192 | 0.018 | (6b,7b,13R)-6,7-Diacetoxy-8,14-labdadiene-13-ol | HMDB: HMDB0035288 |
| C24H38O5 | 406.27192 | 0.018 | Alfaprostolum | HMDB: HMDB0248132 |
| C24H38O5 | 406.27192 | 0.018 | 15,16-Diacetoxycarterochaetol | KNApSAcK: C00022337 |
| C24H38O5 | 406.27192 | 0.018 | 3alpha,7alpha-Dihydroxy-22-oxo-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010439 |
| C24H38O5 | 406.27192 | 0.018 | Annocherin A | HMDB: HMDB0033399 KNApSAcK: C00054665 |
| C24H38O5 | 406.27192 | 0.018 | 3alpha,7alpha,12beta-Trihydroxy-5beta-chol-9(11)-en-24-oic Acid | LipidMAPS: LMST04010402, LMST04010403 |
| C24H38O5 | 406.27192 | 0.018 | Vitetrifolin D | KNApSAcK: C00033484 |
| C24H38O5 | 406.27192 | 0.018 | Dihydromevinolin | KNApSAcK: C00018332 |
| C24H38O5 | 406.27192 | 0.018 | 6beta,12alpha-Dihydroxy-3-oxo-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010272, LMST04010273 |
| C24H38O5 | 406.27192 | 0.018 | 3-Oxocholic acid | HMDB: HMDB0000502, [-1]HMDB0304121 LipidMAPS: LMST04010191, LMST04010443 |
| C24H38O5 | 406.27192 | 0.018 | (22E)-3alpha,6beta,7beta-Trihydroxy-5beta-chol-22-en-24-oic Acid | LipidMAPS: LMST04010231 |
| C24H38O5 | 406.27192 | 0.018 | 3beta,9alpha-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010291, LMST04010292 |
| C24H38O5 | 406.27192 | 0.018 | 10,18-Diacetoxy-8-hydroxy-2,6-dolabelladiene | KNApSAcK: C00050506 |
| C24H38O5 | 406.27192 | 0.018 | 6alpha,7alpha-Dihydroxy-3-oxo-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010145 |
| C24H38O5 | 406.27192 | 0.018 | Varodiol diacetate | KNApSAcK: C00022347 |
| C24H38O5 | 406.27192 | 0.018 | Isolinaritriol 12,16-diacetate | KNApSAcK: C00023490 |
| C24H38O5 | 406.27192 | 0.018 | Diacarperoxide E | KNApSAcK: C00039006, C00039007 |
| C24H38O5 | 406.27192 | 0.018 | 3alpha,6beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010422, LMST04010423 |
| C24H38O5 | 406.27192 | 0.018 | 17-Isobutyloxygrindelic acid | KNApSAcK: C00022637 |
| C24H38O5 | 406.27192 | 0.018 | 3alpha,11beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010337, LMST04010338 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 407.27911 |
| Splash: splash10-004i-0931000000-33ddaa32f354c7e9d3bc |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 126.89 | 2279 | 280 | 1000 |
| 263.23 | 391 | 144 | 171 |
| 281.21 | 314 | 126 | 137 |
| 389.23 | 261 | 18 | 114 |
| 245.24 | 155 | 162 | 67 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.100 | [Isoflavone]-A(2OH)-B(1OH, 2(C-Prenyl)) | Isoflavone | 3',5'-Diprenylgenistein |
| 0.050 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavone | Gancaonin Q |
| 0.050 | [Flavone]-A(2OH)-B(1OH, 2(C-Prenyl)) | Flavone | Honyucitrin |
| 0.048 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Isoflavone | Lupalbigenin |
| 0.048 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Isoflavone | Isolupalbigenin |
| 0.048 | [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 |