ピーク情報
|
イチョウ 葉
pos
|
| Peak #6062 MN MID: SE205_S01_M90 |
| m/z: 849.28268, RT: 56.84, 強度: 57992, ログ強度: 1.22, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| 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: -, MS3: 0.031 |
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 | 1.777 | Isorutarin | HMDB: HMDB0030883 KNApSAcK: C00050995 |
| C20H24O10 | 424.13695 | 1.777 | 3,4-Dihydro-1,2-secomicrominutinin-9-O-glucoside | KNApSAcK: C00038239 |
| C20H24O10 | 424.13695 | 1.777 | Uncinoside B | KNApSAcK: C00032441 |
| C20H24O10 | 424.13695 | 1.777 | Praeroside III | KNApSAcK: C00020008, C00020009 |
| C20H24O10 | 424.13695 | 1.777 | Fortuneanoside E | KNApSAcK: C00030322 |
| C20H24O10 | 424.13695 | 1.777 | Fortuneanoside D | KNApSAcK: C00030321 |
| C20H24O10 | 424.13695 | 1.777 | Apterin | HMDB: HMDB0034231 KNApSAcK: C00031441, C00031604 |
| C20H24O10 | 424.13695 | 1.777 | (2R)-2'-Hydroxymarmesin 2'-O-beta-D-glucopyranoside | HMDB: HMDB0039038 KNApSAcK: C00019919 |
| C20H24O10 | 424.13695 | 1.777 | Rutarin | HMDB: HMDB0030884 KEGG: C09309 KNApSAcK: C00002496 |
| C20H24O10 | 424.13695 | 1.777 | Salicortin | KNApSAcK: C00056100 |
| C20H24O10 | 424.13695 | 1.777 | Celereoside | HMDB: HMDB0039028 KNApSAcK: C00053923 |
| C20H24O10 | 424.13695 | 1.777 | Ginkgolide M | HMDB: HMDB0030042 KEGG: C16816 |
| C20H24O10 | 424.13695 | 1.777 | Smyrindioloside | HMDB: HMDB0039037 |
| C20H24O10 | 424.13695 | 1.777 | 13alpha(21)-Epoxyeurycomanone | HMDB: HMDB0244577 |
| C20H24O10 | 424.13695 | 1.777 | Ginkgolide B | HMDB: HMDB0036861 KEGG: C07602 KNApSAcK: C00035830 LipidMAPS: LMPR0104540002 |
| C20H24O10 | 424.13695 | 1.777 | Ginkgolide J | HMDB: HMDB0029605 KEGG: C07604 KNApSAcK: C00035832 LipidMAPS: LMPR0104540004 |
| C20H24O10 | 424.13695 | 1.777 | Ginkgolide M | KNApSAcK: C00041545 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 849.28308 |
| Splash: splash10-004i-0000900010-7d181c766a7100b61879 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 425.22 | 3374 | 424 | 1000 |
| 686.33 | 273 | 163 | 80 |
| 831.45 | 249 | 18 | 73 |
| 830.50 | 194 | 19 | 57 |
| 361.03 | 187 | 488 | 55 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 425.10706 |
| Splash: splash10-03g0-0019000000-ed22163e9fb65759e724 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 361.04 | 174 | 64 | 1000 |
| 389.03 | 62 | 36 | 356 |
| 407.18 | 52 | 18 | 297 |
| 275.19 | 38 | 150 | 220 |
| 321.12 | 38 | 104 | 217 |
| 333.12 | 35 | 92 | 199 |
| 378.98 | 30 | 46 | 171 |
| 289.13 | 29 | 136 | 167 |
| 345.06 | 23 | 80 | 133 |
| 327.21 | 20 | 98 | 112 |
| 314.87 | 18 | 110 | 102 |
| 353.21 | 15 | 72 | 86 |
| 325.22 | 15 | 100 | 86 |
| 337.11 | 12 | 88 | 71 |
| 279.07 | 12 | 146 | 68 |
| 351.06 | 11 | 74 | 63 |
| 281.07 | 11 | 144 | 62 |
| 228.97 | 11 | 196 | 60 |
| 370.96 | 10 | 54 | 58 |
| 303.05 | 10 | 122 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.103 | [Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(1OH) | Dihydroflavonol | 6,8-diprenylaromadendrin |
| 0.067 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Dihydroflavonol | Lespedezaflavanone C |
| 0.063 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH) | Flavanone | Monotesone B |
| 0.063 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH) | Flavanone | 6,8-Diprenyleriodictyol |
| 0.063 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH) | Flavanone | Kushenol E |
| 0.063 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Isoflavanone | 3'-Dimethylallylkievitone |
| 0.030 | [Flavanone]-A(2OH)-B(2OH, 2(C-Prenyl)) | Flavanone | Sigmoidin A |
| 0.030 | [Flavanone]-A(2OH)-B(2OH, 2(C-Prenyl)) | Flavanone | Abyssinin III |
| 0.030 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | Gancaonin E |
| 0.030 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | 5,7,3',4'-Tetrahydroxy-6,5'-di-C-prenylflavanone |
| 0.030 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | Lespedezaflavanone D |
| 0.000 | [Flavone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavone | 7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | 2'-Hydroxychalcone | Angusticornin B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(4-Hydroxy-5-(hydroxyisopropanyl)dihydrofurano))) | 2'-Hydroxychalcone | Paratocarpin G |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | 2'-Hydroxychalcone | Tephropurpurin |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin E |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1(C-Prenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin F |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(4-Ispropyl-7-methyl-7-hydroxy-3a,4,5,6,7,7a-hexahydrobenzofurano)))-B(none) | Dihydrochalcone | Adunctin E |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(2OH, 1OMe, 2(C-Prenyl))-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | Helihumulone |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(2OH) | Flavanone | Exiguaflavanone A |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(2OH) | Flavanone | Exiguaflavanone L |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Flavanone | Lupiniol A1 |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | Flavanone | Lupiniol B |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(3-Methyl-2,3-epoxybutyl)) | Flavanone | Flemiflavanone D |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Flavanone | Lonchocarpol C |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Flavanone | Lonchocarpol D |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(2OH) | Flavanone | Diplacone |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1Geranyl) | Flavanone | Propolin D |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1Geranyl) | Flavanone | Isonymphaeol B |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH) | Flavanone | Dorsmanin J |
| 0.000 | [Flavanone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH) | Flavanone | Dorsmanin E |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1,1-Dimethylallyl)) | Flavanone | 2',4'-Dihydroxy-5'-(1'',1''-dimethylallyl)-6-C-prenylpinocembrin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1,1-Dimethylallyl)) | Flavanone | 5,7,2',4'-Tetrahydroxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1Geranyl) | Flavanone | Sanggenol A |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1Geranyl) | Flavanone | 5'-Geranylsteppogenin |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(2OH) | Flavanone | Sophoraflavanone C |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(2OH) | Flavanone | Kushenol F |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(2OH) | Flavanone | Sophoraflavanone G |
| 0.000 | [Flavanone]-A(2OH, 1(2-Isopropenyl-5-methyl-5-hexenyl))-B(2OH) | Flavanone | Remangiflavanone B |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(2OH) | Flavanone | Leachianone F |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Geranyl)-B(1OH) | Dihydroflavonol | Bonanniol A |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Carboxy-2-hydroxyphenyl)) | Dihydroflavonol | Hypnum acid |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | 8-C-Methylvelloquercetin 3,5,3'-trimethyl ether |
| 0.000 | [Flavan 3-ol]-A(1OH)-B(2OH) | Flavan 3-ol | 6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one |
| 0.000 | [Isoflavanone]-A(2OH, 1Geranyl)-B(2OH) | Isoflavanone | 6-Geranyldalbergioidin |
| 0.000 | [Isoflavan]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Isoflavan | Licoricidin |
| 0.000 | [Rotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Rotenone | Erythynone |
| 0.000 | [12a-Hydroxyrotenone (3-OMe)]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Methoxyrotenone |
| 0.000 | [6-Hydroxydehydrorotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 6-Hydroxydehydrorotenone | 6-Hydroxy-6a,12a-dehydro-alpha-toxicarol |