ピーク情報
|
ポプラ, 幼植物, 地上部
pos
|
| Peak #3541 MN MID: SE205_S08_M90 |
| m/z: 389.12319, RT: 42.70, 強度: 146061, ログ強度: 1.57, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (34 names) Speciosin D;(+)-Speciosin D;Silvaticol;Methyl 2-(4-methoxyphenyl)-2-oxoacetate;2,5-Dihydroxycinnamic acid methyl ester;Kakuol;Piperonyl acetate;Dimethyl phthalate;3-Deoxyisoochracinic acid;(-)-3-Deoxy... |
| DBごとのヒット数: ALL 29 KG 10 KN 10 HM 7 LM 2 |
| FlavonoidSearch最大スコア MS2: 0.107, MS3: 0.067 |
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 |
|---|---|---|---|---|
| C10H10O4 | 194.05791 | 0.236 | Speciosin D | KNApSAcK: C00048137 |
| C10H10O4 | 194.05791 | 0.236 | Phenylsuccinate | KEGG: C22494 |
| C10H10O4 | 194.05791 | 0.236 | Silvaticol | KNApSAcK: C00045405 |
| C10H10O4 | 194.05791 | 0.236 | 2,5-Dihydroxycinnamic acid methyl ester | HMDB: HMDB0061686 |
| C10H10O4 | 194.05791 | 0.236 | Methyl 2-(4-methoxyphenyl)-2-oxoacetate | KNApSAcK: C00046137 |
| C10H10O4 | 194.05791 | 0.236 | Kakuol | KEGG: C16982 KNApSAcK: C00051119 |
| C10H10O4 | 194.05791 | 0.236 | Piperonyl acetate | HMDB: HMDB0032614 |
| C10H10O4 | 194.05791 | 0.236 | Dimethyl phthalate | HMDB: HMDB0251388 KEGG: C11233 |
| C10H10O4 | 194.05791 | 0.236 | mono-Benzyl malonate | HMDB: HMDB0059721 |
| C10H10O4 | 194.05791 | 0.236 | 3-Deoxyisoochracinic acid | KNApSAcK: C00045560 |
| C10H10O4 | 194.05791 | 0.236 | Isoferulic acid | HMDB: HMDB0000955, HMDB0259693 KEGG: C10470 KNApSAcK: C00002752 |
| C10H10O4 | 194.05791 | 0.236 | Ferulic acid | HMDB: HMDB0000954, HMDB0240705, [-1f]HMDB0303721 KEGG: C01494 KNApSAcK: C00002743, C00034325 |
| C10H10O4 | 194.05791 | 0.236 | 2,4,8-Trihydroxy-1-tetralone | KEGG: C09974 KNApSAcK: C00003020 |
| C10H10O4 | 194.05791 | 0.236 | Vanillin acetate | HMDB: HMDB0029663 |
| C10H10O4 | 194.05791 | 0.236 | 3-(2-Formyl-3-hydroxyphenyl)-propionic acid | KNApSAcK: C00045552 |
| C10H10O4 | 194.05791 | 0.236 | Deca-4,6,8-triyne-1,1,2,3-tetraol | LipidMAPS: LMFA05000711 |
| C10H10O4 | 194.05791 | 0.236 | 4-(2-Hydroxyphenyl)-4-oxobutyric acid | KNApSAcK: C00034393 |
| C10H10O4 | 194.05791 | 0.236 | 6-Hydroxymellein | HMDB: HMDB0303675 KEGG: C02379 KNApSAcK: C00000554 |
| C10H10O4 | 194.05791 | 0.236 | Methyl caffeate | HMDB: HMDB0246032 KEGG: C10477 KNApSAcK: C00002759 |
| C10H10O4 | 194.05791 | 0.236 | 3-(2-Hydroxy-3-methoxyphenyl)-2-propenoic acid | HMDB: HMDB0037644 |
| C10H10O4 | 194.05791 | 0.236 | Enalin A | KNApSAcK: C00034497 |
| C10H10O4 | 194.05791 | 0.236 | Repandiol | HMDB: HMDB0039606 |
| C10H10O4 | 194.05791 | 0.236 | 5-Hydroxyconiferaldehyde | HMDB: HMDB0304215 KEGG: C12204 KNApSAcK: C00007611, C00052737 |
| C10H10O4 | 194.05791 | 0.236 | 2E,4E,6Z,8Z-Decatetraenedioic acid | LipidMAPS: LMFA01170003, LMFA01170004, LMFA01170005 |
| C10H10O4 | 194.05791 | 0.236 | Bombardolide C | KNApSAcK: C00045692 |
| C10H10O4 | 194.05791 | 0.236 | Meconine | HMDB: HMDB0032652 KNApSAcK: C00051520 |
| C10H10O4 | 194.05791 | 0.236 | Scytalone | KEGG: C00779 |
| C10H10O4 | 194.05791 | 0.236 | Monoethyl phthalate | HMDB: HMDB0002120 |
| C10H10O4 | 194.05791 | 0.236 | 4-Hydroxymellein | HMDB: HMDB0030765 KNApSAcK: C00000119, C00029969, C00032373 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 389.12268 |
| Splash: splash10-00vi-0393000000-2852c993d444a8c0c0e6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 227.07 | 4997 | 162 | 1000 |
| 371.07 | 2896 | 18 | 579 |
| 215.08 | 2613 | 174 | 522 |
| 353.17 | 1706 | 36 | 341 |
| 232.90 | 1174 | 156 | 234 |
| 186.98 | 1007 | 202 | 201 |
| 282.98 | 800 | 106 | 160 |
| 203.06 | 613 | 186 | 122 |
| 120.86 | 476 | 268 | 95 |
| 245.06 | 431 | 144 | 86 |
| 185.07 | 408 | 204 | 81 |
| 161.05 | 407 | 228 | 81 |
| 191.14 | 406 | 198 | 81 |
| 188.94 | 384 | 200 | 76 |
| 172.96 | 358 | 216 | 71 |
| 145.04 | 343 | 244 | 68 |
| 171.10 | 322 | 218 | 64 |
| 241.03 | 298 | 148 | 59 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.148 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Xambioona |
| 0.107 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Paratocarpin A |
| 0.038 | [Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Chalcone | Flemiculosin |
| 0.036 | [Chalcone]-A(3OMe)-B(3OMe) | Chalcone | 2,3,4,2',4',6'-Hexamethoxychalcone |
| 0.000 | [Flavone]-A(1OMe, 2(C-Prenyl))-B(none) | Flavone | 5-Methoxy-7,8-diprenylflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(4OMe) | Flavone | 5-Hydroxy-7,2',3',4',5'-pentamethoxyflavone |
| 0.000 | [Flavone]-A(3OMe)-B(1OH, 2OMe) | Flavone | Ageconyflavone C |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(3OMe) | Flavone | Umuhengerin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(3OMe) | Flavone | Agehoustin G |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(3OMe) | Flavone | Serpyllin |
| 0.000 | [Flavone]-A(4OMe)-B(1OH, 1OMe) | Flavone | 3'-Hydroxy-5,6,7,8,4'-pentamethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(2OMe) | Flavone | Demethylnobiletin |
| 0.000 | [Flavonol]-A(3OMe)-B(2OMe) | Flavonol | Quercetagetin 5,6,7,3',4'-pentamethyl ether |
| 0.000 | [Flavonol]-A(2OMe)-B(3OMe) | Flavonol | 3-Hydroxy-5,7,3',4',5'-pentamethoxyflavone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none) | Dihydrochalcone | Calomelanol D-1 |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methylbutadienyl))-B(none) | Flavanone | Spinoflavanone A |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano))) | Flavanone | Sigmoidin G |
| 0.000 | [Flavanone]-A(3OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavanone | Agecorynin A |
| 0.000 | [Flavone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Kanzonol E |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OH, 2OMe) | Flavonol | 2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(3OMe) | Flavonol | Combretol |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OH, 2OMe) | Flavonol | 5'-hydroxy-3,5,7,2',4'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OH, 2OMe) | Flavonol | 2'-Hydroxy-3,5,7,4',5'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,7,2',4',5'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe) | Flavonol | Grantiodin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe) | Flavonol | Quercetagetin 3,5,6,3',4'-pentamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,5,6,7,3'-pentamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe) | Flavonol | Artemetin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe, 1Methyl)-B(1OH, 1OMe) | Flavonol | 8-C-Methylquercetagetin 3,6,7,3'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe, 1Methyl)-B(1OH, 1OMe) | Flavonol | 8-C-Methylquercetagetin 3,6,7,4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,5,7,8,3'-pentamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe) | Flavonol | Gossypetin 3,5,8,3',4'-pentamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe) | Flavonol | Gossypetin 3,7,8,3',4'-pentamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe) | Flavonol | 5-Hydroxy-3,7,8,2',4'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OMe) | Flavonol | Emmaosunin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OMe) | Flavonol | 5-Hydroxyauranetin |
| 0.000 | [Flavonol]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl)) | Pterocarpan-6a-ol | Sphenostylin C |
| Level: 3, プリカーサーm/z: 227.06934 |
| Splash: splash10-001i-0900000000-797c6c90f58aaa1b7d75 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 132.99 | 999 | 94 | 1000 |
| 106.96 | 336 | 120 | 336 |
| 198.85 | 97 | 28 | 96 |
| 127.92 | 76 | 99 | 76 |
| 104.86 | 64 | 122 | 64 |
| 170.91 | 57 | 56 | 57 |
| 180.94 | 55 | 46 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavan]-A(1OH)-B(none) | Flavan | 7-Hydroxyflavan |
| Level: 3, プリカーサーm/z: 371.06949 |
| Splash: splash10-014i-0194000000-c1a55f5b40ced824ab60 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 215.03 | 969 | 156 | 1000 |
| 352.98 | 373 | 18 | 385 |
| 227.02 | 191 | 144 | 196 |
| 340.80 | 92 | 30 | 94 |
| 186.98 | 85 | 184 | 88 |
| 130.95 | 52 | 240 | 53 |
| 311.08 | 52 | 60 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.067 | [Dihydroflavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | Dihydroflavonol | Dioclenol |
| 0.050 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavanone | 3S-5,7,3'-Trihydroxy-4'-methoxy-5'-prenylisoflavanone |
| 0.050 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavanone | Sophoraisoflavanone A |
| 0.050 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavanone | 4'-O-Methylkievitone |
| 0.050 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavanone | Diphysolidone |
| 0.048 | [Flavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Flavanone | 5'-Prenylhomoeriodictyol |
| 0.048 | [Flavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Flavanone | 4'-Methylsigmoidin B |
| 0.048 | [Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | Dioflorin |
| 0.048 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Exiguaflavanone K |
| 0.048 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | Flavanone | 5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone |
| 0.048 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | Flavanone | Kenusanone I |
| 0.034 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavonol | Gancaonin P |
| 0.034 | [Flavonol]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | 2'-Prenylrhynchosin |
| 0.034 | [Flavonol]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | Uralenol |
| 0.000 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavone | Torosaflavone D |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(2-Hydroperoxy-3-methyl-3-butenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol E |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthohumol D |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Dehydrocycloxanthohumol hydratechalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 2OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Dihydrochalcone | 2'-Hydroxy-5',6'-dimethoxy-3,4-methylenedioxyfurano[2'',3'':4',3'] dihydrochalcon |
| 0.000 | [Flavanone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OMe) | Flavanone | 5,7-Dihydroxy-4'-methoxy-8-C-(2-hydroxy-3-methyl-3-butenyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH, 1OMe) | Flavanone | 5,7,4'-Trihydroxy-3'-methoxy-6-(1,1-dimethylallyl)flavanone |
| 0.000 | [Flavone]-A(2OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(2OH) | Flavone | Oxidihydroartocarpesin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Dihydroflavonol | 5,7,4'-Trihydroxy-5-methoxy-8-prenylflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(2OH) | Dihydroflavonol | 7,8-Dihydrooxepinodihydroquercetin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Dihydroflavonol | Shuterone A |
| 0.000 | [Flavonol]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Flavonol | Glycyrrhiza flavonol A |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Flavonol | Meliternatin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | CCS-type derivative / [3,2']-Epoxymethanoflavone | 6-Methoxypulcherrimin |
| 0.000 | [Flavan 3,4-diol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavan 3,4-diol | 4beta-Hydroxyobovatachromene |
| 0.000 | [Flavan 3,4-diol]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavan 3,4-diol | 3,4,5,6-Tetramethoxyfurano[2,3-h]flavan |
| 0.000 | [Flavan 3,4-diol]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavan 3,4-diol | Diplotropin |
| 0.000 | [Isoflavone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(2OH) | Isoflavone | 2,3-Dehydrokievitol |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Isoflavone | Lunatone |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Isoflavone | Lupinisoflavone B |
| 0.000 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Isoflavone | Lupinisoflavone D |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 2OMe, 1(1,1-Dimethylallyl)) | Isoflavan | Unanisoflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Pterocarpan-6a-ol | Sphenostylin B |
| 0.000 | [6-Oxodehydrorotenone]-A(1OH, 1OMe)-B(2OMe) | 6-Oxodehydrorotenone | Stemonone |