ピーク情報
|
ポプラ, 幼植物, 地上部
pos
|
| Peak #2435 MN MID: SE205_S08_M90 |
| m/z: 579.15007, RT: 35.68, 強度: 283024, ログ強度: 1.85, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (36 names) 2''-O-p-Coumaroylvitexin;Robinetidinol(4alpha-6)catechin;[4,6''-Biflavan]-3,3',3'',3''',4',4''',5',5'',7,7''-decol;Terniflorin;Mesquitol-(4alpha->6)-mesquitol;Catechin-(6->6')-catechin;Epimesquitol-(4... |
| DBごとのヒット数: ALL 30 KG 3 KN 22 HM 5 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.200 |
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 |
|---|---|---|---|---|
| C30H26O12 | 578.14243 | 0.630 | 2''-O-p-Coumaroylvitexin | FlavonoidViewer: FL3FAACS0034 HMDB: HMDB0037471 KNApSAcK: C00006301, C00054423 LipidMAPS: LMPK12110227 |
| C30H26O12 | 578.14243 | 0.630 | Robinetidinol(4alpha-6)catechin | KNApSAcK: C00020668 |
| C30H26O12 | 578.14243 | 0.630 | Apigenin 7-(6''-p-coumarylglucoside) | FlavonoidViewer: FL3FAAGS0036, FL3FAAGS0066 HMDB: HMDB0037347 KNApSAcK: C00004172, C00013616, C00038476 LipidMAPS: LMPK12110370, LMPK12110400 |
| C30H26O12 | 578.14243 | 0.630 | Mesquitol-(4alpha->6)-mesquitol | KNApSAcK: C00009184 |
| C30H26O12 | 578.14243 | 0.630 | Epimesquitol-(4beta->4)-epioritin-4beta-ol | KNApSAcK: C00013271 |
| C30H26O12 | 578.14243 | 0.630 | Catechin-(6->6')-catechin | KNApSAcK: C00008912 |
| C30H26O12 | 578.14243 | 0.630 | Pelargonidin 3-p-coumarylglucoside | FlavonoidViewer: [1]FL7AAAGL0017 HMDB: [1]HMDB0301883 KEGG: [1]C16368 KNApSAcK: [1]C00006756 LipidMAPS: [1]LMPK12010031 |
| C30H26O12 | 578.14243 | 0.630 | Kaempferol 3-(6''-(Z)-cinnamylglucoside) | FlavonoidViewer: FL5FAAGL0066 KNApSAcK: C00005848 LipidMAPS: LMPK12111788 |
| C30H26O12 | 578.14243 | 0.630 | 4-O-8',5'-5''-Dehydrotriferulic acid | HMDB: HMDB0029298 |
| C30H26O12 | 578.14243 | 0.630 | Apigenin 7-O-beta-D-(6-O-p-coumaroyl)glucopyranoside | KNApSAcK: C00031603 |
| C30H26O12 | 578.14243 | 0.630 | Apigenin 7-(3''-p-coumaroylglucoside) | FlavonoidViewer: FL3FAAGS0065 KNApSAcK: C00013615, C00038475 LipidMAPS: LMPK12110399 |
| C30H26O12 | 578.14243 | 0.630 | Apigenin 7-glucoside-4'-p-coumarate | FlavonoidViewer: FL3FAAGN0001 KNApSAcK: C00004183 LipidMAPS: LMPK12110333 |
| C30H26O12 | 578.14243 | 0.630 | Robinetinidol-(4beta->8)-catechin | KNApSAcK: C00009167, C00009168 |
| C30H26O12 | 578.14243 | 0.630 | Procyanidin B2 | HMDB: HMDB0013690, HMDB0029754, HMDB0033973, HMDB0033974, HMDB0037968 KEGG: C17639, C10238, C10221 KNApSAcK: C00002917, C00002935, C00009071, C00009072, C00009075, C00009077, C00009078, C00009080 LipidMAPS: LMPK12030001, LMPK12030002, LMPK12030003, LMPK12030004 |
| C30H26O12 | 578.14243 | 0.630 | Mesquitol-(5->6)-mesquitol | KNApSAcK: C00008925 |
| C30H26O12 | 578.14243 | 0.630 | Kaempferol 3-(2-(E)-p-coumarylrhamnoside) | FlavonoidViewer: FL5FAAGS0050, FL5FAAGS0103 KNApSAcK: C00005863, C00013770 LipidMAPS: LMPK12111886, LMPK12111938 |
| C30H26O12 | 578.14243 | 0.630 | 8,9-Dihydro-10-(2,4-dihydroxyphenyl)-9-hydroxy-8-(3,4,5-trihydroxyphenyl)-10H-pyrano[2,3-h]catechin | KNApSAcK: C00008953 |
| C30H26O12 | 578.14243 | 0.630 | Luteolin 7-(6''-E-cinnamylglucoside) | FlavonoidViewer: FL3FACGS0061 KNApSAcK: C00004323 LipidMAPS: LMPK12110696 |
| C30H26O12 | 578.14243 | 0.630 | Procyanidin B6 | HMDB: HMDB0038367, HMDB0038368, HMDB0038369 |
| C30H26O12 | 578.14243 | 0.630 | Epicatechin-(6'->8)-epicatechin | HMDB: HMDB0032900 |
| C30H26O12 | 578.14243 | 0.630 | Genistein 7-O-(2''-p-coumaroylglucoside) | FlavonoidViewer: FLIAAAGS0011 HMDB: HMDB0038741 KNApSAcK: C00010164 LipidMAPS: LMPK12050176 |
| C30H26O12 | 578.14243 | 0.630 | Mesquitol-(5->8)-catechin | KNApSAcK: C00008923 |
| C30H26O12 | 578.14243 | 0.630 | Procyanidin B5 | HMDB: HMDB0038366, HMDB0041239, HMDB0304727 KEGG: C17640 KNApSAcK: C00009070, C00009073, C00009074, C00009076, C00009079 |
| C30H26O12 | 578.14243 | 0.630 | Mesquitol-(5->5)-mesquitol | KNApSAcK: C00008924 |
| C30H26O12 | 578.14243 | 0.630 | Apigenin 7-(4''-Z-p-coumarylglucoside) | FlavonoidViewer: FL3FAAGS0034, FL3FAAGS0035 KNApSAcK: C00004170, C00004171 LipidMAPS: LMPK12110368, LMPK12110369 |
| C30H26O12 | 578.14243 | 0.630 | Echitin | FlavonoidViewer: FL3FAAGS0064 KNApSAcK: C00013614 LipidMAPS: LMPK12110398 |
| C30H26O12 | 578.14243 | 0.630 | pelargonidin 3-O-beta-D-p-coumaroylglucoside | HMDB: HMDB0304451 |
| C30H26O12 | 578.14243 | 0.630 | Kaempferol 3-(4''-p-coumarylrhamnoside) | FlavonoidViewer: FL5FAAGS0051 KNApSAcK: C00005864 LipidMAPS: LMPK12111887 |
| C30H26O12 | 578.14243 | 0.630 | Kaempferol 3-O-alpha-L-(3-trans-p-coumaroyl-rhamnopyranoside) | HMDB: HMDB0302571 |
| C30H26O12 | 578.14243 | 0.630 | Mesquitol(4alpha->8)catechin | KNApSAcK: C00020687 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 579.14954 |
| Splash: splash10-004i-0031900000-00a0a3e7ac4439ac15ce |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 427.07 | 59548 | 152 | 1000 |
| 291.05 | 25639 | 288 | 430 |
| 409.13 | 24730 | 170 | 415 |
| 453.08 | 16235 | 126 | 272 |
| 247.04 | 11302 | 332 | 189 |
| 428.00 | 10752 | 151 | 180 |
| 289.00 | 8903 | 290 | 149 |
| 303.06 | 8156 | 276 | 136 |
| 301.04 | 8019 | 278 | 134 |
| 561.04 | 6206 | 18 | 104 |
| 411.21 | 5222 | 168 | 87 |
| 410.16 | 4588 | 169 | 77 |
| 435.13 | 3915 | 144 | 65 |
| 454.19 | 3516 | 125 | 59 |
| 271.02 | 3270 | 308 | 54 |
| 439.08 | 3191 | 140 | 53 |
| 292.07 | 3069 | 287 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(1(O-p-Coumaroyl)-C-Glu))-B(1OH) | Flavone | Vitexin 2''-O-p-coumarate |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | 6-C-Glucopyranosyl-8-C-arabinopyranosylgenkwanin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(1OH) | Flavone | Violanthin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(1OH) | Flavone | Isoviolanthin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Chinovosyl))-B(1OH) | Flavone | Violarvensin |
| 0.000 | [Flavone]-A(2OH, 2(C-Rhamnosyl))-B(2OH) | Flavone | 6,8-Di-C-rhamnopyranosylluteolin |
| Level: 3, プリカーサーm/z: 427.02625 |
| Splash: splash10-0pb9-0178900000-0de5ca72f873350fe813 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 409.14 | 19184 | 18 | 1000 |
| 301.00 | 17802 | 126 | 927 |
| 275.10 | 9358 | 152 | 487 |
| 139.01 | 2688 | 288 | 140 |
| 247.08 | 2573 | 180 | 134 |
| 287.13 | 1890 | 140 | 98 |
| 283.13 | 1794 | 144 | 93 |
| 259.10 | 1134 | 168 | 59 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Flavan 3-ol]-A(2OH)-B(1OH)-C(1(O-Galloyl)) | Flavan 3-ol | Afzelechin 3-O-gallate |
| 0.091 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Hydroxybenzoyl)) | Flavan 3-ol | Gallocatechin 3-O-p-hydroxybenzoate |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Flavone | 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Dihydrochalcone | 2',4',6',3,4-Pentahydroxy-3',5-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(4OH, 1Geranyl)-B(1OH) | Dihydrochalcone | 3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(4OH, 1Neryl)-B(1OH) | Dihydrochalcone | 4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone |
| 0.000 | [Dihydrochalcone beta-ol (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Dihydrochalcone beta-ol | Ponganone VIII |
| 0.000 | [Flavanone]-A(1OMe, 1(1(O-Acetyl)-2,4-Dihydroxy-5,5-dimethyltetrahydro-3-furanyl))-B(none) | Flavanone | Tephrorin A |
| 0.000 | [Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH) | Flavanone | Kushenol T |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl)) | Flavanone | Propolin E |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano))) | Flavan | Broussoflavan A |
| 0.000 | [6-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 6-Hydroxyrotenone | Villosin |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenone | Dalbinol |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenone | Villosinol |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 12a-Hydroxyrotenone | 11-Hydroxytephrosin |