ピーク情報
|
イチョウ 葉
pos
|
| Peak #1691 MN MID: SE205_S01_M90 |
| m/z: 325.06835, RT: 23.71, 強度: 2556, ログ強度: -0.14, アダクト: [M+K]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (17 names) Homoarbutin;Helicidol;Orcinol glucoside;Orcinol-3-O-beta-D-glycopyranoside;(-)-Orcinol-3-O-beta-D-glycopyranoside;3-Hydroxybenzyl alcohol glucoside;Methylarbutin;Salicin;4-Hydroxybenzyl beta-D-glucopy... |
| DBごとのヒット数: ALL 15 KG 3 KN 5 HM 7 |
| FlavonoidSearch最大スコア MS2: 0.083, 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 |
|---|---|---|---|---|
| C13H18O7 | 286.10525 | -0.203 | Homoarbutin | KNApSAcK: C00031862 |
| C13H18O7 | 286.10525 | -0.203 | Gastrodin | HMDB: HMDB0252648 KEGG: C16964 KNApSAcK: C00029516, C00035111 |
| C13H18O7 | 286.10525 | -0.203 | Orcinol glucoside | KNApSAcK: C00032097 |
| C13H18O7 | 286.10525 | -0.203 | 3-Hydroxybenzyl alcohol glucoside | HMDB: HMDB0038331 |
| C13H18O7 | 286.10525 | -0.203 | Methylarbutin | HMDB: HMDB0303383 KEGG: C17599 KNApSAcK: C00029538 |
| C13H18O7 | 286.10525 | -0.203 | Salicin | HMDB: HMDB0003546 KEGG: C01451 KNApSAcK: C00002672 |
| C13H18O7 | 286.10525 | -0.203 | 4-Hydroxybenzyl beta-D-glucopyranoside | KNApSAcK: C00029534 |
| C13H18O7 | 286.10525 | -0.203 | Isohomoarbutin | KNApSAcK: C00031905 |
| C13H18O7 | 286.10525 | -0.203 | 2-Methoxyphenyl beta-D-glucopyranoside | KNApSAcK: C00050675 |
| C13H18O7 | 286.10525 | -0.203 | 3-Hydroxy-4,6-heptadiyne-1-yl 1-glucoside | HMDB: HMDB0038964 |
| C13H18O7 | 286.10525 | -0.203 | Isosalicin | HMDB: HMDB0034023 |
| C14H14O3N4 | 286.10659 | -4.877 | N'-[(E)-[5-(Hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]pyridine-4-carbohydrazide | HMDB: HMDB0247341 |
| C14H14O3N4 | 286.10659 | -4.877 | 4-(Nitrosomethylidene)-1-[[4-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridine | HMDB: HMDB0258071 |
| C14H14O3N4 | 286.10659 | -4.877 | N'-[(5-Formyl-3-hydroxy-2-methylpyridin-4-yl)methyl]pyridine-4-carbohydrazide | HMDB: HMDB0260393 |
| C14H14O3N4 | 286.10659 | -4.877 | Avadomide | HMDB: HMDB0249718 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 325.06839 |
| Splash: splash10-014i-0090000000-78bdc018faba0bbeabf9 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 268.16 | 6717 | 57 | 1000 |
| 269.20 | 2881 | 56 | 428 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.083 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan | 2-Prenyldemethylmedicarpin |
| 0.083 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 8-Prenyldemethylmedicarpin |
| 0.083 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | Phaseollidin |
| 0.067 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | Glabranin |
| 0.067 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6-C-prenylflavanone |
| 0.067 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Crotaramosmin |
| 0.067 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Desmethylisoxanthohumol |
| 0.056 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Isobavachin |
| 0.056 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachin |
| 0.056 | [Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Abyssinone II |
| 0.056 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Isobavachalcone |
| 0.056 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Broussochalcone B |
| 0.056 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Licoagrochalcone A |
| 0.000 | [Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Chalcone | Crotmadine |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin E |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin F |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin C |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Dorsmanin A |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none) | Dihydrochalcone | 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone |
| 0.000 | [Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavanone | 7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone |
| 0.000 | [Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavanone | 5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe) | Isoflavanone | Neoraunone |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | Isoflavan | Crotmarine |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavan | Glabridin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Phaseollinisoflavan |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe) | Pterocarpan | Ambonane |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Neobanol |