ピーク情報
|
イネ 玄米 ニッポンバレ
pos
|
| Peak #526 MN MID: SE199_S21_M90 |
| m/z: 451.08651, RT: 11.54, 強度: 14038, ログ強度: 0.75, 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: (5 names) Melicitrin;Myricetin 3-arabinofuranoside;Myricetin 3-xyloside;Quercetin 4'-galactoside;N-desmethyl enzalutamide |
| DBごとのヒット数: ALL 5 KN 3 HM 1 FL 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.133 |
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 |
|---|---|---|---|---|
| C20H18O12 | 450.07983 | -1.307 | Melicitrin | FlavonoidViewer: FL5FAGGS0007 KNApSAcK: C00005733, C00051530 LipidMAPS: LMPK12112439 |
| C20H18O12 | 450.07983 | -1.307 | Quercetin 4'-galactoside | FlavonoidViewer: FL5FACGS0063 |
| C20H18O12 | 450.07983 | -1.307 | Myricetin 3-alpha-L-arabinofuranoside | FlavonoidViewer: FL5FAGGS0001 HMDB: HMDB0303816 KNApSAcK: C00005725 LipidMAPS: LMPK12112433 |
| C20H18O12 | 450.07983 | -1.307 | Myricetin 3-xyloside | FlavonoidViewer: FL5FAGGS0002, FL5FAGGS0003 HMDB: HMDB0041635 KNApSAcK: C00005726, C00005727 LipidMAPS: LMPK12112434, LMPK12112435 |
| C20H14O2N4SF4 | 450.07736 | 4.173 | N-desmethyl enzalutamide | HMDB: HMDB0255117 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 451.08609 |
| Splash: splash10-014i-0009000000-d58362eb3e325b5a72b3 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 319.00 | 1044 | 132 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(2OH) | Flavanone | 8-C-Glucopyranosyleriodictylol |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(2OH) | Flavanone | 5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside |
| 0.000 | [Flavone]-A(1OMe, 1([5,4:@@]-(2,2-Dimethyldihydro-3a-acetoxy-3-oxofuro[2,3-c]pyrano)))-B(none) | Flavone | Tephrodin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Dihydrocycloartomunin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloaltilisin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Dihydroisocycloartomunin |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(2OH, 1(C-Prenyl)) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artonin T |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Glu))-B(1OH) | Dihydroflavonol | 6-C-Glucosylaromadendrin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Glu))-B(1OH) | Dihydroflavonol | 8-C-Glucosylaromadendrin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavonol | Broussoflavonol A |
| 0.000 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OH, 1([@@]-Methylenedioxy)) | Isoflavone | Euchrenone b5 |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Cajaisoflavone |
| 0.000 | [Isoflavanone]-A(2OH, 1(C-Glu))-B(2OH) | Isoflavanone | Macrocarposide |
| 0.000 | [Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | Coumaranochromon | 8-Prenyllisetin |
| Level: 3, プリカーサーm/z: 319.00394 |
| Splash: splash10-0udi-0093000000-4d57fdbebbe812ac8ef6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 301.06 | 117 | 18 | 1000 |
| 274.11 | 81 | 45 | 698 |
| 214.05 | 79 | 105 | 680 |
| 258.06 | 60 | 61 | 515 |
| 202.07 | 58 | 117 | 500 |
| 301.94 | 54 | 17 | 465 |
| 257.07 | 53 | 62 | 454 |
| 275.06 | 47 | 44 | 405 |
| 284.06 | 26 | 35 | 218 |
| 230.06 | 21 | 89 | 181 |
| 259.98 | 12 | 59 | 102 |
| 204.00 | 10 | 115 | 88 |
| 228.07 | 9 | 91 | 79 |
| 273.37 | 9 | 46 | 73 |
| 229.14 | 8 | 90 | 69 |
| 197.11 | 8 | 122 | 65 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.133 | [Flavonol]-A(4OH)-B(1OH) | Flavonol | 3,5,6,7,8,4'-Hexahydroxyflavone |
| 0.097 | [Flavonol]-A(3OH)-B(2OH) | Flavonol | Quercetagetin |
| 0.097 | [Flavonol]-A(3OH)-B(2OH) | Flavonol | Gossypetin |
| 0.097 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 3,5,8,3',4',5'-Hexahydroxyflavone |
| 0.097 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | Myricetin |
| 0.097 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 5'-Hydroxymorin |
| 0.097 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 3,5,7,2',3',4'-Hexahydroxyflavone |
| 0.056 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(2OH) | Dihydroflavonol | Taxifolin 3-methyl ether |
| 0.053 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone |
| 0.053 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | 8-Methoxyfustin |
| 0.053 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | 3,5,2',3'-Tetrahydroxy-7-methoxyflavanone |
| 0.053 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | Taxifolin 5-methyl ether |
| 0.053 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | Padmatin |
| 0.053 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone |
| 0.053 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 4'-methyl ether |
| 0.053 | [Dihydroflavonol]-A(1OH)-B(2OH, 1OMe) | Dihydroflavonol | Sepinol |
| 0.050 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,3'-dimethyl ether |
| 0.050 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 7,4'-dimethyl ether |
| 0.050 | [Flavan 3-ol]-A(2OH)-B(2OMe) | Flavan 3-ol | Catechin 3',4'-dimethyl ether |
| 0.045 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-6-methoxyflavanone |
| 0.045 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | Dihydroisorhamnetin |
| 0.038 | [Flavone]-A(3OH)-B(3OH) | Flavone | 5,6,7,3',4',5'-Hexahydroxyflavone |
| 0.038 | [Flavone]-A(3OH)-B(3OH) | Flavone | 5,7,8,3',4',5'-Hexahydroxyflavone |
| 0.038 | [Flavone]-A(4OH)-B(2OH) | Flavone | Bitalgenin |
| 0.038 | [Anthocyanidin]-A(3OH)-B(3OH) | Anthocyanidin | 6-Hydroxydelphinidin |
| 0.038 | [Flavanone]-A(3OH)-B(1OH, 1OMe) | Flavanone | 8-Hydroxyhesperetin |
| 0.038 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxy-6-methoxyflavanone |
| 0.038 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 6-Methoxyeriodictyol |
| 0.038 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxyeriodictyol |
| 0.000 | [Isoflavan]-A(2OH)-B(1OH, 2OMe) | Isoflavan | Bryaflavan |
| 0.000 | [Isoflavan]-A(2OH)-B(1OH, 2OMe) | Isoflavan | 8-Demethylduartin |
| 0.000 | [UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone]-A(2OH, 2Methyl)-B(1OH) | UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone | Protofarrerol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH) | Dihydroflavonol | 6-Methyltaxifolin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH) | Dihydroflavonol | Deodarin |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OH) | Flavan 4-ol | 4,5,7,4'-Tetrahydroxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [Isoflavanone-3-ol]-A(2OH)-B(1OH, 1OMe) | Isoflavanone-3-ol | Bolusanthin |
| 0.000 | [3-substituted 2-Phenylbenzofuran (3-COOH)]-A(2OH)-B(3OH) | 3-substituted 2-Phenylbenzofuran | Norwedelic acid |