ピーク情報
|
イチョウ 葉
pos
|
| Peak #2377 MN MID: SE205_S01_M90 |
| m/z: 595.14464, RT: 32.71, 強度: 71857, ログ強度: 1.31, アダクト: [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: (31 names) Robinetinidol-(4alpha->2')-robinetinidol-4beta-ol;3-Caffeoylpelargonidin 5-glucoside;Catechin-(4->8)-gallocatechin;Piperitoside;8,9-dihydro-10-(2,4-dihydroxyphenyl)-9-hydroxy-8-(3,4,5-trihydroxyphenyl... |
| DBごとのヒット数: ALL 29 KG 3 KN 24 HM 2 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.111 |
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 |
|---|---|---|---|---|
| C30H26O13 | 594.13734 | 0.032 | Robinetinidol-(4alpha->2')-robinetinidol-4beta-ol | KNApSAcK: C00009174, C00009175 |
| C30H26O13 | 594.13734 | 0.032 | 3-Caffeoylpelargonidin 5-glucoside | HMDB: [1]HMDB0038087 KNApSAcK: [1]C00054687 |
| C30H26O13 | 594.13734 | 0.032 | Catechin-(4alpha->8)-gallocatechin | HMDB: HMDB0036303, HMDB0302900 KNApSAcK: C00009081, C00009082 |
| C30H26O13 | 594.13734 | 0.032 | Apigenin 7-glucoside-4'-trans-caffeate | FlavonoidViewer: FL3FAAGN0002 HMDB: HMDB0037348 KNApSAcK: C00004184 LipidMAPS: LMPK12110334 |
| C30H26O13 | 594.13734 | 0.032 | 8,9-dihydro-10-(2,4-dihydroxyphenyl)-9-hydroxy-8-(3,4,5-trihydroxyphenyl)-10H-pyrano[2,3-h]gallocatechin | KNApSAcK: C00008954 |
| C30H26O13 | 594.13734 | 0.032 | 6-hydroxyluteolin-7-O-(6''-O-cinnamoyl)-beta-D-glucopyranoside | LipidMAPS: LMPK12113409 |
| C30H26O13 | 594.13734 | 0.032 | Tribuloside | FlavonoidViewer: FL5FAAGA0030, FL5FAAGL0069 HMDB: HMDB0040689, HMDB0260223 KEGG: C17140 KNApSAcK: C00005842, C00005851, C00034908, C00055130 LipidMAPS: LMPK12111691, LMPK12111791 |
| C30H26O13 | 594.13734 | 0.032 | Maritimetin 6-(6''-p-coumarylglucoside) | FlavonoidViewer: FL1A3CGS0003 KNApSAcK: C00008052 LipidMAPS: LMPK12130011 |
| C30H26O13 | 594.13734 | 0.032 | Gallocatechin-(4alpha->6)-catechin | KNApSAcK: C00009110 |
| C30H26O13 | 594.13734 | 0.032 | Epimesquitol-(4alpha->6)-epimesquitol-4beta-ol | KNApSAcK: C00009185 |
| C30H26O13 | 594.13734 | 0.032 | 7-O-(4-Hydroxycinnamoyl) astragalin | HMDB: HMDB0040473 |
| C30H26O13 | 594.13734 | 0.032 | 3''-O-Caffeoylcosmosiin | HMDB: HMDB0037345 |
| C30H26O13 | 594.13734 | 0.032 | Kaempferol 3-(5''-feruloylapioside) | FlavonoidViewer: FL5FAAGS0107 HMDB: HMDB0301775 KNApSAcK: C00013774 LipidMAPS: LMPK12111942 |
| C30H26O13 | 594.13734 | 0.032 | Kaempferol 3-(3''-p-coumarylglucoside) | FlavonoidViewer: FL5FAAGL0068 KNApSAcK: C00005850 LipidMAPS: LMPK12111790 |
| C30H26O13 | 594.13734 | 0.032 | Hyacinthin | FlavonoidViewer: [1]FL7AACGL0030 HMDB: [1]HMDB0037982, [1]HMDB0303076, HMDB0304304 KEGG: [1]C12095 KNApSAcK: [1]C00006800 LipidMAPS: [1]LMPK12010139 |
| C30H26O13 | 594.13734 | 0.032 | Pelargonidin 3-(6''-caffeylglucoside) | FlavonoidViewer: [1]FL7AAAGL0018 HMDB: HMDB0304450 KEGG: [1]C16297 KNApSAcK: [1]C00006757 LipidMAPS: [1]LMPK12010032 |
| C30H26O13 | 594.13734 | 0.032 | Isoorientin 2''-O-(E)-p-coumarate | FlavonoidViewer: FL3FACCS0035 KNApSAcK: C00006298 LipidMAPS: LMPK12110503 |
| C30H26O13 | 594.13734 | 0.032 | Prodelphinidin C | HMDB: HMDB0037651, HMDB0037653, HMDB0304728 KNApSAcK: C00009111, C00009112, C00009113 |
| C30H26O13 | 594.13734 | 0.032 | 6''-O-Caffeoylcosmosiin | FlavonoidViewer: FL3FAAGS0037 KNApSAcK: C00004173, C00055007 LipidMAPS: LMPK12110371 |
| C30H26O13 | 594.13734 | 0.032 | Kaempferol 3-(4''-p-coumaroylglucoside) | FlavonoidViewer: FL5FAAGS0105 KNApSAcK: C00013772 LipidMAPS: LMPK12111940 |
| C30H26O13 | 594.13734 | 0.032 | Robinetinidol-(4alpha->8)-gallocatechin | KNApSAcK: C00009169 |
| C30H26O13 | 594.13734 | 0.032 | Kaempferol 7-(6''-p-coumarylglucoside) | FlavonoidViewer: FL5FAAGS0060 HMDB: HMDB0040477 KNApSAcK: C00005873 LipidMAPS: LMPK12111896 |
| C30H26O13 | 594.13734 | 0.032 | Desgalloyl theasinensin F | HMDB: HMDB0302412 KNApSAcK: C00008915 |
| C30H26O13 | 594.13734 | 0.032 | 8-Hydroxyapigenin 8-(6''-E-p-coumaroylglucoside) | FlavonoidViewer: FL3FFAGS0015 KNApSAcK: C00013643 LipidMAPS: LMPK12111353 |
| C30H26O13 | 594.13734 | 0.032 | Kaempferol 3-(2''-p-coumarylglucoside) | FlavonoidViewer: FL5FAAGL0067, FL5FAAGS0104 HMDB: HMDB0038766 KNApSAcK: C00005849, C00013771 LipidMAPS: LMPK12111789, LMPK12111939 |
| C30H26O13 | 594.13734 | 0.032 | Luteolin 7-(2''-p-coumaroylglucoside) | FlavonoidViewer: FL3FACGS0052 KNApSAcK: C00004312 LipidMAPS: LMPK12110687 |
| C30H26O13 | 594.13734 | 0.032 | Luteolin 7-(6''-p-coumarylglucoside) | FlavonoidViewer: FL3FACGS0062 KNApSAcK: C00004324 LipidMAPS: LMPK12110697 |
| C30H26O13 | 594.13734 | 0.032 | Robinetinidol-(4beta->6)-robinetinidol-4alpha-ol | KNApSAcK: C00009170 |
| C30H26O13 | 594.13734 | 0.032 | Epimesquitol-(4alpha->O->4beta)-epimesquitol | KNApSAcK: C00009035 |
| C30H26O13 | 594.13734 | 0.032 | 2''-O-p-Coumaroylorientin | KNApSAcK: C00055279 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 595.14410 |
| Splash: splash10-002f-0052900000-3d75366f81877bffb7c1 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 443.04 | 6793 | 152 | 1000 |
| 291.09 | 4168 | 304 | 613 |
| 425.13 | 3936 | 170 | 579 |
| 317.04 | 2081 | 278 | 306 |
| 427.10 | 1913 | 168 | 281 |
| 287.11 | 1884 | 308 | 277 |
| 305.16 | 1062 | 290 | 156 |
| 299.12 | 860 | 296 | 126 |
| 275.17 | 800 | 320 | 117 |
| 263.06 | 664 | 332 | 97 |
| 409.21 | 537 | 186 | 79 |
| 577.26 | 453 | 18 | 66 |
| 451.18 | 426 | 144 | 62 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 2(C-Glu))-B(1OH) | Flavone | Vicenin 2 |
| 0.000 | [Isoflavone]-A(2OH, 2(C-Glu))-B(1OH) | Isoflavone | Paniculatin |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone]-A(2OH, 1(C-Glu), 1([3,2:m,n]-(Epoxy-C-glucosyl)))-B(1OH) | UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone | Safflor yellow A |
| 0.000 | [3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH) | 3-substituted Flavone | 3,6-Di-C-glucosylapigenin |
| 0.000 | [3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH) | 3-substituted Flavone | 3,8-Di-C-glucopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Galactosyl))-B(1OH) | Flavone | 6,8-Di-C-galactopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Galactosyl))-B(1OH) | Flavone | 6-C-Glucopyranosyl-8-C-galactopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(1(O-(E)-p-Coumaroyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2''-O-(E)-p-coumarate |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe) | Flavone | 6-C-Xylopyranosyl-8-C-glucopyranosylchrysoeriol |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe) | Flavone | 6-C-Glucopyranosyl-8-C-xylopyranosylchrysoeriol |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe) | Flavone | Chrysoeriol 6-C-glucoside-8-C-arabinopyranoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe) | Flavone | Chrysoeriol 6-C-arabinopyranoside-8-C-glucoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(2OH) | Flavone | Elatin |
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe) | Flavone | 6,8-Di-C-arabinopyranosyltricin |
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe) | Flavone | 6,8-Di-C-arabinopyranosylapometzgerin |
| Level: 3, プリカーサーm/z: 443.03851 |
| Splash: splash10-00os-0098500000-fdebf33f1ab37debda6b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 317.12 | 2571 | 126 | 1000 |
| 425.18 | 1777 | 18 | 691 |
| 299.18 | 1624 | 144 | 631 |
| 275.07 | 883 | 168 | 343 |
| 138.96 | 161 | 304 | 62 |
| 287.22 | 161 | 156 | 62 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.111 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-Galloyl)) | Flavan 3-ol | Catechin 3-O-gallate |
| 0.033 | [Isoflavone]-A(2OH, 1OMe, 1(C-Prenyl))-B(3OMe) | Isoflavone | 6-Prenylisocaviunin |
| 0.000 | [Flavan 3-ol]-A(1OH)-B(3OH)-C(1(O-Galloyl)) | Flavan 3-ol | Robinetinidol 3-O-gallate |
| 0.000 | [Flavanone]-A(2OH, 1(5-methyl-2-(2-hydroxyisopropyl)-4-hexenyl))-B(2OH) | Flavanone | Exiguaflavanone M |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH) | Flavanone | Lonchocarpol B |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl)) | Flavanone | Propolin A |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl)) | Flavanone | Propolin B |
| 0.000 | [Flavanone]-A(2OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl))-B(2OH) | Flavanone | Prokinawan |
| 0.000 | [6,12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 6,12a-Hydroxyrotenone | Villol |
| Level: 3, プリカーサーm/z: 291.09439 |
| Splash: splash10-00dr-0900000000-05acaf63814a522eae93 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 122.99 | 1867 | 168 | 1000 |
| 138.93 | 1551 | 152 | 830 |
| 164.94 | 823 | 126 | 441 |
| 151.02 | 464 | 140 | 248 |
| 273.09 | 393 | 18 | 210 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 1.000 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | Mesquitol |
| 1.000 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | 2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol |
| 1.000 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | 3,5,7,3',5'-Pentahydroxyflavan |
| 1.000 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | Catechin |
| 0.429 | [Flavan 3-ol]-A(1OH)-B(3OH) | Flavan 3-ol | Robinetinidol |
| 0.333 | [Dihydrochalcone]-A(3OH)-B(2OH) | Dihydrochalcone | 3,4,2',4',6'-Pentahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(3OH)-B(1OH) | Dihydrochalcone alpha-ol | Nubigenol |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(2OH) | Dihydrochalcone alpha-ol | 3,4,2',4',alpha-Pentahydroxydihydrochalcone |
| 0.000 | [Flavan 4-ol]-A(2OH)-B(2OH) | Flavan 4-ol | Luteoforol |
| 0.000 | [Flavan 3,4-diol]-A(1OH)-B(2OH) | Flavan 3,4-diol | 3,4,7,3',4'-Pentahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH) | Flavan 3,4-diol | 3,4,7,8,4'-Pentahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH) | Flavan 3,4-diol | 3,4,5,7,4'-Pentahydroxyflavan |