ピーク情報
|
ポプラ, 幼植物, 地上部
pos
|
| Peak #9226 MN MID: SE205_S08_M90 |
| m/z: 409.29509, RT: 98.96, 強度: 74796, ログ強度: 1.28, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (42 names) Aculeatol D;3a,4b,7a-Trihydroxy-5b-cholanoic acid;(23R)-3alpha,7beta,23-Trihydroxy-5beta-cholan-24-oic Acid;3alpha,7alpha,15alpha-Trihydroxy-5beta-cholan-24-oic Acid;3alpha,7beta,21chi-Trihydroxy-5bet... |
| DBごとのヒット数: ALL 37 KG 8 KN 7 HM 1 LM 21 |
| FlavonoidSearch最大スコア MS2: 0.062, MS3: 0.200 |
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 |
|---|---|---|---|---|
| C24H40O5 | 408.28757 | 0.595 | Aculeatol D | KNApSAcK: C00038353, C00038354, C00038356 |
| C24H40O5 | 408.28757 | 0.595 | 3a,4b,7a-Trihydroxy-5b-cholanoic acid | HMDB: HMDB0000320 LipidMAPS: LMST04010060, LMST04010061 |
| C24H40O5 | 408.28757 | 0.595 | beta-Phocaecholate | KEGG: C17654 LipidMAPS: LMST04010102, LMST04010103, LMST04010250, LMST04010251 |
| C24H40O5 | 408.28757 | 0.595 | Cygnocholate | KEGG: C20868 LipidMAPS: LMST04010411 |
| C24H40O5 | 408.28757 | 0.595 | 3alpha,7beta,21chi-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010248 |
| C24H40O5 | 408.28757 | 0.595 | 3alpha,7beta,14alpha-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010417 |
| C24H40O5 | 408.28757 | 0.595 | Hyocholate | HMDB: HMDB0000364, HMDB0000415, HMDB0000506, HMDB0000760, HMDB0000865, HMDB0246290 KEGG: C17649, C17727, C17647, C17726 LipidMAPS: LMST04010064, LMST04010065, LMST04010066, LMST04010067, LMST04010068, LMST04010069, LMST04010070, LMST04010071, LMST04010072, LMST04010073, LMST04010074, LMST04010075 |
| C24H40O5 | 408.28757 | 0.595 | Haemulcholate | KEGG: C17668 LipidMAPS: LMST04010100, LMST04010101, LMST04010249 |
| C24H40O5 | 408.28757 | 0.595 | Anisodorin 5 | KNApSAcK: C00049357 |
| C24H40O5 | 408.28757 | 0.595 | 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid | LipidMAPS: LMST04010339 |
| C24H40O5 | 408.28757 | 0.595 | 2b,3a,7a-Trihydroxy-5b-cholanoic acid | HMDB: HMDB0000404 LipidMAPS: LMST04010059 |
| C24H40O5 | 408.28757 | 0.595 | 3alpha,7alpha,19-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010256 |
| C24H40O5 | 408.28757 | 0.595 | 6a,12a-Dihydroxylithocholic acid | HMDB: HMDB0000527 LipidMAPS: LMST04010080, LMST04010081, LMST04010082, LMST04010083 |
| C24H40O5 | 408.28757 | 0.595 | 3alpha,12alpha,19-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010257 |
| C24H40O5 | 408.28757 | 0.595 | 3alpha,7beta,17alpha-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010414, LMST04010418 |
| C24H40O5 | 408.28757 | 0.595 | 3a,4b,12a-Trihydroxy-5b-cholanoic acid | HMDB: HMDB0000330 LipidMAPS: LMST04010077, LMST04010078 |
| C24H40O5 | 408.28757 | 0.595 | Tasnemoxide A | KNApSAcK: C00043959 |
| C24H40O5 | 408.28757 | 0.595 | 1,3,12-Trihydroxycholan-24-oic acid | HMDB: HMDB0000326, HMDB0000371 LipidMAPS: LMST04010063 |
| C24H40O5 | 408.28757 | 0.595 | 3alpha,5beta,7beta-Trihydroxycholan-24-oic Acid | LipidMAPS: LMST04010062, LMST04010247 |
| C24H40O5 | 408.28757 | 0.595 | Bitocholate | KEGG: C17657 LipidMAPS: LMST04010113, LMST04010285 |
| C24H40O5 | 408.28757 | 0.595 | 3alpha,15beta,18-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010112 |
| C24H40O5 | 408.28757 | 0.595 | 2beta,15-Dihydroxy-ent-7-labdene-2-O-methylmalonate | KNApSAcK: C00022798 |
| C24H40O5 | 408.28757 | 0.595 | Cholic acid | KNApSAcK: C00050558 |
| C24H40O5 | 408.28757 | 0.595 | Ursocholate | HMDB: HMDB0000312, HMDB0000376, HMDB0000390, HMDB0000395, HMDB0000419, HMDB0000427, HMDB0000432, HMDB0000505, HMDB0000619, HMDB0000917, HMDB0249206 KEGG: C17644, C17737, C00695, C01558, C04661 KNApSAcK: C00054052 LipidMAPS: LMST04010001, LMST04010085, LMST04010086, LMST04010087, LMST04010088, LMST04010089, LMST04010090, LMST04010091, LMST04010092, LMST04010093, LMST04010094, LMST04010095, LMST04010096, LMST04010097, LMST04010098, LMST04010099 |
| C24H40O5 | 408.28757 | 0.595 | Tasnemoxide B | KNApSAcK: C00043960 |
| C24H40O5 | 408.28757 | 0.595 | 2beta,3alpha,12alpha-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010076 |
| C24H40O5 | 408.28757 | 0.595 | Vulpecholate | HMDB: HMDB0000414 KEGG: C17650 LipidMAPS: LMST04010057, LMST04010058, LMST04010246 |
| C24H40O5 | 408.28757 | 0.595 | 3alpha,5beta,12alpha-Trihydroxycholan-24-oic Acid | LipidMAPS: LMST04010079 |
| C24H40O5 | 408.28757 | 0.595 | Avicholate | KEGG: C17667, C20866 LipidMAPS: LMST04010107, LMST04010449 |
| C24H40O5 | 408.28757 | 0.595 | Epimuqubilin B | KNApSAcK: C00039134 |
| C24H40O5 | 408.28757 | 0.595 | 3alpha,11beta,12beta-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010370, LMST04010371, LMST04010372, LMST04010373 |
| C24H40O5 | 408.28757 | 0.595 | 3alpha,12alpha,15beta-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010110, LMST04010300 |
| C24H40O5 | 408.28757 | 0.595 | 3alpha,12alpha,16alpha-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010111 |
| C24H40O5 | 408.28757 | 0.595 | 3alpha,11beta,15beta-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010108, LMST04010109 |
| C24H40O5 | 408.28757 | 0.595 | Butaprost | HMDB: HMDB0249457 |
| C24H40O5 | 408.28757 | 0.595 | 3beta,9alpha,11beta-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010104, LMST04010105 |
| C24H40O5 | 408.28757 | 0.595 | LipidMAPS: LMPK13070027, LMPK13070028 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 409.29514 |
| Splash: splash10-004i-0910000000-45fedba51d5de3e38568 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 126.88 | 21972 | 282 | 1000 |
| 283.13 | 2886 | 126 | 131 |
| 265.25 | 1760 | 144 | 80 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.063 | [Flavanone]-A(2OH)-B(1OH, 2(C-Prenyl)) | Flavanone | Abyssinone V |
| 0.000 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH) | Flavanone | 6,8-Diprenylnaringenin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavanone | Euchrestaflavanone A |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavanone | Macarangaflavanone B |
| 0.000 | [Dihydroflavonol]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Dihydroflavonol | 3-Hydroxyglabrol |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(3,7-Dimethyl-6-hydroxyocta-2,7-dienyl))-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | 2'-Hydroxychalcone | Paratocarpin D |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Paratocarpin E |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Bartericin A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | 2'-Hydroxychalcone | Bartericin D |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl)) | 2'-Hydroxychalcone | Anthyllin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | 2'-Hydroxychalcone | Bartericin C |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Bartericin B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1Geranyl)-B(2OH) | 2'-Hydroxychalcone | 3'-Geranyl-3,4,2',4'-tetrahydroxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(2OH, 1Geranyl) | 2'-Hydroxychalcone | Kuwanol D |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1Lavandulyl)-B(2OH) | 2'-Hydroxychalcone | Ammothamnidin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Cedrediprenone |
| 0.000 | [2'-Hydroxychalcone]-A(3OH, 1Geranyl)-B(1OH) | 2'-Hydroxychalcone | 3'-Geranylchalconaringenin |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin A |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano))) | Dihydrochalcone | 4,2',4'-Trihydroxy-6''-methyl-6''-(4-methyl-3-pentenyl)pyrano[2'',3'':3,2]dihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none) | Dihydrochalcone | Methyllinderatin |
| 0.000 | [Flavanone]-A(1OH, 1Lavandulyl)-B(2OH) | Flavanone | Lehmannin |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(1OH) | Flavanone | Kushenol A |
| 0.000 | [Flavanone]-A(2OH, 1(2-Isopropenyl-5-methyl-5-hexenyl))-B(1OH) | Flavanone | Remangiflavanone A |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(1OH) | Flavanone | Bonannione A |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(1OH) | Flavanone | Sophoraflavanone A |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1Geranyl) | Flavanone | Macarangaflavanone A |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(1OH) | Flavanone | Leachianone E |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | Flavanone | Paratocarpin J |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | Flavanone | Euchrenone a16 |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(4-Methyl-5-hydoxy-3a,6a-dihydro-6-oxocyclopenta[b]furano)))-B(1OH, 1OMe) | Flavone | Torosaflavone C |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Geranyl)-B(none) | Dihydroflavonol | 6-Geranylpinobanksin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Formyl-2-hydroxyphenyl)) | Dihydroflavonol | 3'-(5''-formyl-2''-hydroxyphenyl)aromadendrin |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavonol | 3,6-Dimethoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2,3:7,8]flavone |
| 0.000 | [Flavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH) | Flavonol | 8-p-Hydroxybenzylquercetin |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ferrugone |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ichthynone |
| 0.000 | [Isoflavone]-A(2OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | 5-Methoxydurmillone |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Pterocarpan-6a-ol | 2-Prenyl-6a-hydroxyphaseollidin |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe) | Dehydrorotenone | Dehydroamorphigenin |
| 0.000 | [Dehydrorotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Dehydrorotenone | Villosol |
| 0.000 | [Dehydrorotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Dehydrorotenone | Dehydrotoxicarol |
| 0.000 | [6-Hydroxydehydrorotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 6-Hydroxydehydrorotenone | Amorpholone |
| 0.000 | [4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 4-Hydroxy-3-phenylcoumarin | Robustin methyl ether |
| 0.000 | [4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 4-Hydroxy-3-phenylcoumarin | Isorobustin 4-methyl ether |
| 0.000 | [4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy)) | 4-Hydroxy-3-phenylcoumarin | Glabrescin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(2OMe, 1([2,3:@@]-(5-Isopropenylfurano)))-B(1OMe) | 4-Hydroxy-3-phenylcoumarin | Thonningine B |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1Isobutyroyl, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none) | 4-phenylcoumarin | 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1Butyroyl, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none) | 4-phenylcoumarin | 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(butyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one |
| Level: 3, プリカーサーm/z: 283.13110 |
| Splash: splash10-014i-0090000000-92ee8b41226a77eff17b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 265.19 | 436 | 18 | 1000 |
| 247.10 | 79 | 36 | 181 |
| 213.06 | 56 | 70 | 129 |
| 199.06 | 51 | 84 | 116 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Isoflavone]-A(1OMe)-B(1OMe) | Isoflavone | 7,4'-Di-O-methyldaidzein |
| 0.200 | [Isoflavone]-A(2OMe)-B(none) | Isoflavone | 5,7-Dimethoxyisoflavone |
| 0.000 | [Flavone]-A(2OMe)-B(none) | Flavone | 7,8-Dimethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(none) | Flavone | 5,6-Dimethoxyflavone |
| 0.000 | [Flavone]-A(1OMe)-B(1OMe) | Flavone | 6,3'-Dimethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(none) | Flavone | chrysin 5,7-dimethyl ether |
| 0.000 | [Coumestan]-A(1OH)-B(1OMe) | Coumestan | 9-O-Methylcoumestrol |
| 0.000 | [Aurone]-A(1OH, 1([@@]-Methylenedioxy))-B(none) | Aurone | 4,5-Methylenedioxy-6-hydroxyaurone |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Chalcone]-A(1OH, 3Methyl)-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Chalcone | Ohobanin |
| 0.000 | [UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone]-A(1([2,3:@@]-(5-Oxotetrahydrofurano)))-B(none) | UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone | Cryptocaryone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(1OH, 1([2,3:@@]-Furano))-B(none) | Dihydrochalcone alpha-ol | Castillene E |
| 0.000 | [Flavone]-A(1OH, 1Methyl)-B(1OMe) | Flavone | Saltillin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavone | 6-Methyltectochrysin |
| 0.000 | [Flavone]-A(2OH, 2Methyl)-B(none) | Flavone | Matteuorien |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe)-B(none) | Flavonol | 3,7-Dimethoxyflavone |
| 0.000 | [Isoflavone]-A(1OH)-B(1OH, 1Formyl) | Isoflavone | Corylinal |
| 0.000 | [Isoflavone]-A(1OH)-B(1([@@]-Methylenedioxy)) | Isoflavone | Pseudobaptigenin |
| 0.000 | [Pterocarpene]-A(1OMe)-B(1OMe) | Pterocarpene | Anhydrovariabilin |
| 0.000 | [Pterocarpene]-A(1OH)-B(1([@@]-Methylenedioxy)) | Pterocarpene | 3-Hydroxy-8,9-methylenedioxypterocarp-6a-ene |
| 0.000 | [Coumestan]-A(1Methyl)-B(2OH) | Coumestan | 8,9-Dihydroxy-1-methylcoumestan |
| 0.000 | [4-phenylcoumarin]-A(2OMe)-B(none) | 4-phenylcoumarin | Methyldalbergin |