ピーク情報
|
イチョウ 葉
pos
|
| Peak #9802 MN MID: SE205_S01_M90 |
| m/z: 421.29493, RT: 82.16, 強度: 808607, ログ強度: 2.36, 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: (16 names) Aplysinoplide C;(+)-Aplysinoplide C;18-Isovaleryloxygrindelic acid;24-homo-3alpha,12alpha-dihydroxy-5beta-cholan-25-oic acid;Sagittine B;(-)-Sagittine B;17-[2-Methylbutyryloxy]-grindelic acid;Anisodor... |
| DBごとのヒット数: ALL 12 KN 10 HM 1 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.077, MS3: 0.071 |
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 |
|---|---|---|---|---|
| C25H40O5 | 420.28757 | 0.179 | Aplysinoplide C | KNApSAcK: C00038480 |
| C25H40O5 | 420.28757 | 0.179 | 18-Isovaleryloxygrindelic acid | KNApSAcK: C00022631 |
| C25H40O5 | 420.28757 | 0.179 | 24-homo-3alpha,12alpha-dihydroxy-5beta-cholan-25-oic acid | LipidMAPS: LMST04070031 |
| C25H40O5 | 420.28757 | 0.179 | Sagittine B | KNApSAcK: C00041814 |
| C25H40O5 | 420.28757 | 0.179 | 17-[2-Methylbutyryloxy]-grindelic acid | KNApSAcK: C00022636 |
| C25H40O5 | 420.28757 | 0.179 | Anisodorin 1 | KNApSAcK: C00049353 |
| C25H40O5 | 420.28757 | 0.179 | 17-Isovaleryloxygrindelic acid | KNApSAcK: C00022635 |
| C25H40O5 | 420.28757 | 0.179 | Anisodorin 2 | KNApSAcK: C00049354 |
| C25H40O5 | 420.28757 | 0.179 | Fusarielin B | KNApSAcK: C00016443 |
| C25H40O5 | 420.28757 | 0.179 | Diacarperoxide G | KNApSAcK: C00039008 |
| C25H40O5 | 420.28757 | 0.179 | 18-[2-Methylbutyryloxy]-grindelic acid | KNApSAcK: C00022632 |
| C21H43O5NP | 420.28789 | -0.563 | 1-Piperidinyloxy, 4-(((dodecyloxy)hydroxyphosphinyl)oxy)-2,2,6,6-tetramethyl- | HMDB: [r]HMDB0248372 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 421.29401 |
| Splash: splash10-0pb9-0090600000-53f89a70118559eb3df0 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 257.15 | 159896 | 164 | 1000 |
| 403.05 | 121954 | 18 | 762 |
| 239.15 | 13058 | 182 | 81 |
| 147.03 | 11357 | 274 | 71 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.077 | [Flavanone]-A(2OH)-B(2([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Sanggenol O |
| 0.053 | [Flavonol]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavonol | 3-Demethyldigicitrin |
| 0.040 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Isoflavone | 7-O-Methylisolupalbigenin |
| 0.000 | [Flavanone]-A(1OH, 2(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Flavanone | Ovaliflavanone D |
| 0.000 | [Flavanone]-A(2OH)-B(1OMe, 1(C-Prenyl), 1(3-methylbutadienyl)) | Flavanone | Burttinonedehydrate |
| 0.000 | [Flavone]-A(1([2,3:@@]-(8,8-Dimethyl-9-acetoxy-6-oxo-1,7-dioxaspiro[4,4]non-2-ene)))-B(none) | Flavone | Glabratephrin |
| 0.000 | [Flavone]-A(2OMe, 1(5-Methoxy-6-methyl-4-oxo-4H-pyran-3-yl))-B(none) | Flavone | 5-O-Methylhoslundin |
| 0.000 | [Flavone]-A(2OMe, 1(5-Methoxy-6-methyl-4-oxo-4H-pyran-2-yl))-B(none) | Flavone | Oppositin |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-(4-(2-Acetoxy-2-methylpropylidene)-5-oxofurano)))-B(none) | Flavone | Tephrorianin |
| 0.000 | [Flavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl)) | Flavone | Yinyanghuo A |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 3-substituted Flavone | Morusin |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | Flavone | Brosimone G |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | 3-substituted Flavone | Kuwanon B |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | 3-substituted Flavone | Kuwanon A |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | Flavone | Australone A |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(3-Methyl-1-butenyl))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Brosimone I |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cyclomulberrin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Isocyclomulberrin |
| 0.000 | [Flavonol]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavonol | Macaflavone I |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH, 1OMe) | Flavonol | 5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 5,7,4'-Trihydroxy-3,6,8,3',5'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 5,7,3'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH, 1OMe) | Flavonol | 5,4',5'-Trihydroxy-3,6,7,8,2'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 5,7,4'-Trihydroxy-3,6,8,2',5'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 5,7,2'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone |
| 0.000 | [Flavan 3-ol]-A(1OMe, 1([7,8:@@]-(5,6-Dihydro-2-hydroxynaphthaleno)))-B(1OH, 1OMe) | Flavan 3-ol | Shanciol |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexone C |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexin D |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Isoflavone | Euchrenone b8 |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Isoflavone | Euchrenone b9 |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Pomiferin |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Auriculasin |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Gancaonin H |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Angustone B |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl)) | Isoflavone | Angustone C |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Auriculatin |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH, 1([@@]-Methylenedioxy)) | Isoflavan | Nitidulan |
| 0.000 | [Pterocarpan]-A(1OH, 1Geranyl)-B(1([@@]-Methylenedioxy)) | Pterocarpan | Nitiducol |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | Pterocarpan | Gangetin |
| 0.000 | [Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Coumaranochromon | Lupinalbin F |
| 0.000 | [alpha-Phenylcoumarinic acid]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | alpha-Phenylcoumarinic acid | Calophyllic acid |
| Level: 3, プリカーサーm/z: 403.06876 |
| Splash: splash10-0002-0900000000-4519543d6250433d31ac |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 146.90 | 38925 | 256 | 1000 |
| 385.34 | 3010 | 18 | 77 |
| 164.94 | 1958 | 238 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.071 | [Dihydroflavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(2OH) | Dihydroflavonol | Paraibanol |
| 0.067 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexone B |
| 0.000 | [Flavone]-A(2OMe)-B(4OMe) | Flavone | 5,6,2',3',5',6'-Hexamethoxyflavone |
| 0.000 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | 5,6,8,3',4',5'-Hexamethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(4OMe) | Flavone | 5,6,2',3',4',6'-Hexamethoxyflavone |
| 0.000 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | 5,6,7,3',4',5'-Hexamethoxyflavone |
| 0.000 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | Bannamurpanisin |
| 0.000 | [Flavone]-A(4OMe)-B(2OMe) | Flavone | Nobiletin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH) | 2'-Hydroxychalcone | 8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin |
| 0.000 | [CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(2OMe) | CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone | Antiarone K |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(none) | Flavanone | Calomelanol I |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH) | Flavanone | Calomelanol H |
| 0.000 | [Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH) | Flavone | Cerarvensin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH) | Flavone | Isomollupentin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH) | Flavone | Mollupentin |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | 7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Cinnamoyl)) | Dihydroflavonol | Pinobanksin 3-O-cinnamate |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(3OMe) | Flavonol | Myricetin hexamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(3OMe) | Flavonol | 3,5,7,2',4',5'-Hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(2OMe) | Flavonol | Quercetagetin hexamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(2OMe) | Flavonol | Gossypetin hexamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(1OMe) | Flavonol | 3,5,6,7,8,4'-Hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 5-Demethylmelibentin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(2OMe, 1(3-hydroxy-3-methylbutyl)) | Pterocarpan-6a-ol | Sphenostylin D |
| 0.000 | [4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | 4-phenylcoumarin | Inophyllum E |
| 0.000 | [4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | 4-phenylcoumarin | Tomentolide A |
| Level: 3, プリカーサーm/z: 257.15002 |
| Splash: splash10-0079-4950000000-7014ab6badbdba12db21 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 239.24 | 8260 | 18 | 1000 |
| 109.09 | 3083 | 148 | 373 |
| 95.03 | 2827 | 162 | 342 |
| 123.00 | 2725 | 134 | 329 |
| 221.14 | 2568 | 36 | 310 |
| 97.02 | 2283 | 160 | 276 |
| 165.07 | 2162 | 92 | 261 |
| 137.09 | 2158 | 120 | 261 |
| 151.00 | 1927 | 106 | 233 |
| 83.00 | 1501 | 174 | 181 |
| 124.97 | 1499 | 132 | 181 |
| 80.96 | 1353 | 176 | 163 |
| 138.93 | 1180 | 118 | 142 |
| 110.99 | 1135 | 146 | 137 |
| 194.95 | 447 | 62 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Isoflavanone]-A(1OH)-B(1OH) | Isoflavanone | Dihydrodaidzein |
| 0.105 | [Pterocarpan]-A(1OH)-B(1OH) | Pterocarpan | Demethylmedicarpin |
| 0.080 | [2'-Hydroxychalcone]-A(2OH)-B(1OH) | 2'-Hydroxychalcone | Isoliquiritigenin |
| 0.080 | [2'-Hydroxychalcone]-A(2OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',5'-Trihydroxychalcone |
| 0.080 | [2'-Hydroxychalcone]-A(2OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3'-Trihydroxychalcone |
| 0.077 | [Flavanone]-A(1OH)-B(1OH) | Flavanone | Liquiritigenin |
| 0.056 | [Dihydroflavonol]-A(1OH)-B(none) | Dihydroflavonol | 3,7-dihydroxyflavanone |
| 0.043 | [2'-Hydroxychalcone]-A(3OH)-B(none) | 2'-Hydroxychalcone | 2',4',6'-Trihydroxychalcone |
| 0.042 | [Flavanone]-A(2OH)-B(none) | Flavanone | Pinocembrin |
| 0.038 | [2'-Hydroxychalcone]-A(1OH)-B(2OH) | 2'-Hydroxychalcone | 3,4,2'-Trihydroxychalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(none) | Dihydrochalcone | 2'-Hydroxy-4'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(none) | Dihydrochalcone | 2'-Methoxy-4'-hydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(none)-B(1OH, 1OMe) | Dihydrochalcone | 2-Methoxy-4-hydroxydihydrochalcone |
| 0.000 | [Aurone]-A(none)-B(1Cl) | Aurone | 4'-Chloroaurone |
| 0.000 | [UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone]-A(1OMe)-B(none) | UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone | Lucidone |
| 0.000 | [Flavan]-A(1OH)-B(1OMe) | Flavan | Broussin |
| 0.000 | [Flavan]-A(1OMe)-B(1OH) | Flavan | 4'-Hydroxy-7-methoxyflavan |
| 0.000 | [Flavan]-A(1OH, 1Methyl)-B(1OH) | Flavan | 7,4'-Dihydroxy-8-methylflavan |
| 0.000 | [Flavan]-A(1OH, 1OMe)-B(none) | Flavan | 7-Hydroxy-5-methoxyflavan |
| 0.000 | [isoflavene]-A(1OH)-B(2OH) | isoflavene | Haginin D |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(1OH, 1OMe) | 2-Phenylbenzofuran | 6-Demethylvignafuran |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(1OH, 1OMe) | 2-Phenylbenzofuran | Centrolobofuran |
| 0.000 | [Dalbergiquinol]-A(2OH, 1OMe)-B(none) | Dalbergiquinol | Obtusaquinol |