ピーク情報
|
ポプラ, 幼植物, 地上部
pos
|
| Peak #4972 MN MID: SE205_S08_M90 |
| m/z: 407.13394, RT: 50.48, 強度: 582144, ログ強度: 2.17, アダクト: [M-H2O+H]+, [M+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (19 names) Isorutarin;3,4-Dihydro-1,2-secomicrominutinin-9-O-glucoside;Uncinoside B;Praeroside III;Fortuneanoside E;(-)-Fortuneanoside E;Fortuneanoside D;(-)-Fortuneanoside D;(2R)-2'-Hydroxymarmesin 2'-O-beta-D-... |
| DBごとのヒット数: ALL 17 KG 4 KN 11 HM 2 |
| FlavonoidSearch最大スコア MS2: 0.069, 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 |
|---|---|---|---|---|
| C20H24O10 | 424.13695 | 0.665 | Isorutarin | HMDB: HMDB0030883 KNApSAcK: C00050995 |
| C20H24O10 | 424.13695 | 0.665 | 3,4-Dihydro-1,2-secomicrominutinin-9-O-glucoside | KNApSAcK: C00038239 |
| C20H24O10 | 424.13695 | 0.665 | Uncinoside B | KNApSAcK: C00032441 |
| C20H24O10 | 424.13695 | 0.665 | Praeroside III | KNApSAcK: C00020008, C00020009 |
| C20H24O10 | 424.13695 | 0.665 | Fortuneanoside E | KNApSAcK: C00030322 |
| C20H24O10 | 424.13695 | 0.665 | Fortuneanoside D | KNApSAcK: C00030321 |
| C20H24O10 | 424.13695 | 0.665 | Apterin | HMDB: HMDB0034231 KNApSAcK: C00031441, C00031604 |
| C20H24O10 | 424.13695 | 0.665 | (2R)-2'-Hydroxymarmesin 2'-O-beta-D-glucopyranoside | HMDB: HMDB0039038 KNApSAcK: C00019919 |
| C20H24O10 | 424.13695 | 0.665 | Rutarin | HMDB: HMDB0030884 KEGG: C09309 KNApSAcK: C00002496 |
| C20H24O10 | 424.13695 | 0.665 | Salicortin | KNApSAcK: C00056100 |
| C20H24O10 | 424.13695 | 0.665 | Celereoside | HMDB: HMDB0039028 KNApSAcK: C00053923 |
| C20H24O10 | 424.13695 | 0.665 | Ginkgolide M | HMDB: HMDB0030042 KEGG: C16816 |
| C20H24O10 | 424.13695 | 0.665 | Smyrindioloside | HMDB: HMDB0039037 |
| C20H24O10 | 424.13695 | 0.665 | 13alpha(21)-Epoxyeurycomanone | HMDB: HMDB0244577 |
| C20H24O10 | 424.13695 | 0.665 | Ginkgolide B | HMDB: HMDB0036861 KEGG: C07602 KNApSAcK: C00035830 LipidMAPS: LMPR0104540002 |
| C20H24O10 | 424.13695 | 0.665 | Ginkgolide J | HMDB: HMDB0029605 KEGG: C07604 KNApSAcK: C00035832 LipidMAPS: LMPR0104540004 |
| C20H24O10 | 424.13695 | 0.665 | Ginkgolide M | KNApSAcK: C00041545 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 407.13385 |
| Splash: splash10-000i-0179000000-643bb2fc9d0668e46546 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 389.13 | 521 | 18 | 1000 |
| 227.08 | 95 | 180 | 181 |
| 371.17 | 82 | 36 | 158 |
| 214.95 | 80 | 192 | 153 |
| 262.88 | 79 | 144 | 152 |
| 269.10 | 75 | 138 | 142 |
| 148.94 | 72 | 258 | 138 |
| 267.07 | 70 | 140 | 133 |
| 301.00 | 64 | 106 | 123 |
| 248.99 | 56 | 158 | 107 |
| 217.06 | 46 | 190 | 87 |
| 146.96 | 45 | 260 | 86 |
| 245.03 | 44 | 162 | 83 |
| 329.19 | 39 | 78 | 75 |
| 207.01 | 33 | 200 | 63 |
| 213.26 | 33 | 194 | 62 |
| 379.19 | 30 | 28 | 58 |
| 361.09 | 30 | 46 | 57 |
| 297.15 | 27 | 110 | 51 |
| 353.16 | 26 | 54 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.121 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Isoflavone | Lupalbigenin |
| 0.121 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Isoflavone | Isolupalbigenin |
| 0.088 | [Isoflavone]-A(2OH)-B(1OH, 2(C-Prenyl)) | Isoflavone | 3',5'-Diprenylgenistein |
| 0.088 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OH) | Isoflavone | 6,8-Diprenylgenistein |
| 0.069 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OMe, 1(C-Prenyl)) | Pterocarpan | Erycristin |
| 0.059 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavone | Gancaonin Q |
| 0.059 | [Flavone]-A(2OH)-B(1OH, 2(C-Prenyl)) | Flavone | Honyucitrin |
| 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 |