ピーク情報
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イネ 葉 コシヒカリ
pos
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| Peak #3791 MN MID: SE199_S31_M90 |
| m/z: 741.20526, RT: 45.23, 強度: 284757, ログ強度: 1.90, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4 |
| DB検索結果: (17 names) pelargonidin-3,5-diglucoside-5-O-p-coumaroylglucoside;Kaempferol 2G-coumaroylrutinoside;Menthoside;Procyanidin B3 7-glucoside;Kaempferol 3-(4''-(Z)-p-coumarylrobinobioside);Epicatechin-(4beta->8)-epic... |
| DBごとのヒット数: ALL 17 KG 1 KN 15 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 1.000 |
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 |
|---|---|---|---|---|
| C36H36O17 | 740.19525 | 3.695 | Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside) | HMDB: HMDB0304454 KEGG: [1]C16349 |
| C36H36O17 | 740.19525 | 3.695 | 7-O-beta-D-Glucopyranosylcatechin-(4alpha->8)-catechin | HMDB: HMDB0039099 KNApSAcK: C00009201 |
| C36H36O17 | 740.19525 | 3.695 | Epicatechin-(4beta->8)-epicatechin-3-O-glucoside | KNApSAcK: C00009202, C00009204 |
| C36H36O17 | 740.19525 | 3.695 | Kaempferol 3-[4''-(p-coumaroylglucosyl)rhamnoside] | HMDB: HMDB0040540 |
| C36H36O17 | 740.19525 | 3.695 | 3-O-beta-D-Glucosylcatechin-(4alpha->8)-catechin | KNApSAcK: C00009199 |
| C36H36O17 | 740.19525 | 3.695 | 8-C-Glucopyranosylprocyanidin B2 | HMDB: HMDB0037405, HMDB0037406 KNApSAcK: C00006327, C00006329 |
| C36H36O17 | 740.19525 | 3.695 | 6-C-Glucopyranosylprocyanidin B2 | HMDB: HMDB0037403, HMDB0037404 KNApSAcK: C00006326, C00006328 |
| C36H36O17 | 740.19525 | 3.695 | Kaempferol 3-rhamnosyl-(1->6)(2''-p-coumarylglucoside) | FlavonoidViewer: FL5FAAGL0082, FL5FAAGS0115 HMDB: HMDB0037577 KNApSAcK: C00005883, C00013782 LipidMAPS: LMPK12111950 |
| C36H36O17 | 740.19525 | 3.695 | Apigenin 7-rutinoside-4'-trans-caffeate | FlavonoidViewer: FL3FAAGN0003 HMDB: HMDB0037350 KNApSAcK: C00004193 LipidMAPS: LMPK12110335 |
| C36H36O17 | 740.19525 | 3.695 | Kaempferol 3-(4''-(Z)-p-coumarylrobinobioside) | FlavonoidViewer: FL5FAAGA0034, FL5FAAGA0035 KNApSAcK: C00005877, C00005878 LipidMAPS: LMPK12111695, LMPK12111696 |
| C36H36O17 | 740.19525 | 3.695 | Pelargonidin 3-[6-((Z)-p-coumaroyl)glucoside]-5-glucoside | FlavonoidViewer: [1]FL7AAAGL0027, [1]FL7AAAGL0073 KNApSAcK: [1]C00006766, [1]C00014852 LipidMAPS: [1]LMPK12010041, [1]LMPK12010087 |
| C36H36O17 | 740.19525 | 3.695 | Kaempferol 3-[6'''-p-coumarylglucosyl-(1->2)-rhamnoside] | FlavonoidViewer: FL5FAAGS0061 HMDB: HMDB0040538, HMDB0040975 KNApSAcK: C00005884 LipidMAPS: LMPK12111897 |
| C36H36O17 | 740.19525 | 3.695 | Isovitexin 2''-O-(6'''-(E)-p-coumaroyl)glucoside | FlavonoidViewer: FL3FAACS0081 HMDB: HMDB0038041, HMDB0301977 KNApSAcK: C00014080 LipidMAPS: LMPK12110271 |
| C36H36O17 | 740.19525 | 3.695 | Rhamnocitrin 3-(5'''-p-coumarylapiosyl)-(1->2)-glucoside | FlavonoidViewer: FL5FCAGL0008 KNApSAcK: C00005928 LipidMAPS: LMPK12112569 |
| C36H36O17 | 740.19525 | 3.695 | Isoschaftoside 2'''-ferulate | FlavonoidViewer: FL3FAACS0063 KNApSAcK: C00006413 LipidMAPS: LMPK12110256 |
| C36H36O17 | 740.19525 | 3.695 | Isovitexin 7-O-(6'''-O-E-p-coumaroyl)glucoside | FlavonoidViewer: FL3FAADS0044 HMDB: HMDB0301975 KNApSAcK: C00014077 LipidMAPS: LMPK12110327 |
| C36H36O17 | 740.19525 | 3.695 | Vitexin 7-O-glucoside 2''-p-coumarate | FlavonoidViewer: FL3FAADS0018 HMDB: HMDB0037472 KNApSAcK: C00006325 LipidMAPS: LMPK12110303 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 741.20367 |
| Splash: splash10-00lr-0017900000-e043336bdca6e168bd73 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 433.16 | 145322 | 308 | 1000 |
| 415.24 | 69910 | 326 | 481 |
| 313.12 | 58360 | 428 | 401 |
| 367.08 | 33965 | 374 | 233 |
| 337.17 | 33121 | 404 | 227 |
| 379.12 | 29263 | 362 | 201 |
| 283.05 | 29165 | 458 | 200 |
| 397.20 | 18066 | 344 | 124 |
| 723.17 | 16334 | 18 | 112 |
| 579.27 | 15884 | 162 | 109 |
| 309.05 | 9734 | 432 | 66 |
| 361.12 | 8484 | 380 | 58 |
| 271.02 | 8424 | 470 | 57 |
| 621.14 | 7290 | 120 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(1(O-Feruloyl)-C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | Isoschaftoside 2'''-ferulate |
| Level: 3, プリカーサーm/z: 433.15778 |
| Splash: splash10-014i-0009700000-96501263c41c2e2f411e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 415.19 | 11712 | 18 | 1000 |
| 367.06 | 4886 | 66 | 417 |
| 313.18 | 2571 | 120 | 219 |
| 397.14 | 2327 | 36 | 198 |
| 337.19 | 2206 | 96 | 188 |
| 379.14 | 1527 | 54 | 130 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 1.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Neovitexin |
| 1.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Vitexin |
| 1.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Isovitexin |
| 1.000 | [Flavonol]-A(1OH, 1(C-Glu))-B(1OH) | Flavonol | 8-C-Glucosylresokaempferol |
| 1.000 | [Isoflavone]-A(1OH, 1(C-Glu))-B(2OH) | Isoflavone | 8-Glucosyl 3'-hydroxydaidzein |
| 1.000 | [Isoflavone]-A(2OH, 1(C-Glu))-B(1OH) | Isoflavone | Genistein 8-C-glucoside |
| 0.000 | [Flavone]-A(3OMe)-B(4OMe) | Flavone | Agehoustin B |
| 0.000 | [Flavone]-A(4OMe)-B(3OMe) | Flavone | 5,6,7,8,3',4',5'-Heptamethoxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(3OMe) | Flavone | Agecorynin C |
| 0.000 | [Chalcone]-A(2OMe, 1([@@]-Methylenedioxy))-B(4OMe) | Chalcone | 2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(1OMe) | Flavanone | Calomelanol G |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(1OH) | Flavone | 8-C-beta-D-Galactopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(1OH) | Flavone | 6-C-beta-D-Galactosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Chinovosyl))-B(2OH) | Flavone | 6-C-Chinovopyranosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Fucosyl))-B(2OH) | Flavone | 6-C-Fucopyranosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Rhamnosyl))-B(2OH) | Flavone | 8-C-Rhamnopyranosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH, 1OMe) | Flavone | 5,7,4'-Trihydroxy-3'-methoxyflavone-8-C-beta-D-xylopyranoside |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Artocommunol CA |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(3OMe) | Flavonol | 3,5,6,7,3',4',5'-Heptamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(3OMe) | Flavonol | Benthamitin |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(3OMe) | Flavonol | Hibiscetin heptamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(2OMe) | Flavonol | 3,5,6,7,8,3',4'-Heptamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OH, 2OMe) | Flavonol | 3'-Hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone |
| Level: 3, プリカーサーm/z: 415.14655 |
| Splash: splash10-00ks-0009000000-0189d2242612fb121503 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 337.21 | 6626 | 78 | 1000 |
| 367.17 | 4628 | 48 | 698 |
| 397.16 | 3214 | 18 | 484 |
| 379.22 | 1843 | 36 | 278 |
| 283.19 | 925 | 132 | 139 |
| 295.14 | 777 | 120 | 117 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.050 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(3OMe) | Flavanone | Heteroflavanone C |
| 0.000 | [Flavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | 3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(2-Hydroxyethyl))-B(1OH, 1OMe) | Flavanone | Laxiflorin |
| 0.000 | [Flavanone]-A(2OH, 1(1(O-Acetyl)-(E)-4-Hydroxyprenyl))-B(2OH) | Flavanone | Kanzonol S |
| 0.000 | [Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(1OH) | Flavone | 3'-Deoxyderhamnosylmaysin |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(8,9-Dihydroxy-7-hydroxymethyl-1,6-dioxaspiro[4,4]non-2-ene)))-B(1OH) | Flavone | Pinnatifinoside A |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Digitoxopyranosyl))-B(1OH) | Flavone | Aciculatin |
| 0.000 | [Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(1OH) | Flavone | 6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)apigenin |
| 0.000 | [4-substituted Flavan 3-ol (4-(2,4,6-Trihydroxyphenyl))]-A(2OH)-B(2OH) | 4-substituted Flavan 3-ol | Prodelphinidin B6 |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(1OH, 1OMe) | 12a-Hydroxyrotenone | Volubinol |