ピーク情報
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きく 花びら 生 黄色
pos
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| Peak #4016 MN MID: SE123_S060581_M90 |
| m/z: 533.12821, RT: 60.30, 強度: 48582, ログ強度: 1.26, 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: (13 names) 6,7,3',4'-Tetrahydroxyaurone 6-(4'',6''-diacetylglucoside);6,7,3',4'-Tetrahydroxyaurone 6-O-(3'',6''-di-O-acetylglucoside);Genistein 7-O-(6''-succinylglucoside);5,7,4'-Trihydroxyisoflavone 7-O-(6''-su... |
| DBごとのヒット数: ALL 12 KG 3 KN 8 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.182 |
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 |
|---|---|---|---|---|
| C25H24O13 | 532.12169 | -1.432 | 6,7,3',4'-Tetrahydroxyaurone 6-(4'',6''-diacetylglucoside) | FlavonoidViewer: FL1A3CGS0004 KNApSAcK: C00008053 LipidMAPS: LMPK12130012 |
| C25H24O13 | 532.12169 | -1.432 | Bidenoside A | FlavonoidViewer: FL1A3CGS0010 KNApSAcK: C00014666 LipidMAPS: LMPK12130018 |
| C25H24O13 | 532.12169 | -1.432 | Genistein 7-O-(6''-succinylglucoside) | KNApSAcK: C00019757 |
| C25H24O13 | 532.12169 | -1.432 | Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) | FlavonoidViewer: FLIAABGS0006 HMDB: HMDB0030640 KEGG: C12625 KNApSAcK: C00010117 LipidMAPS: LMPK12050224 |
| C25H24O13 | 532.12169 | -1.432 | Apigenin 7-methyl ether 5-(6''-malonylglucoside) | FlavonoidViewer: FL3FCAGS0003 KNApSAcK: C00004200 LipidMAPS: LMPK12111012 |
| C25H24O13 | 532.12169 | -1.432 | Orientin 2'',6''-diacetate | FlavonoidViewer: FL3FACCS0011 HMDB: HMDB0038777 KNApSAcK: C00006162 LipidMAPS: LMPK12110479 |
| C25H24O13 | 532.12169 | -1.432 | Trilobatin D | KNApSAcK: C00037943 |
| C25H24O13 | 532.12169 | -1.432 | Kaempferol 3-(3'',4''-diacetylglucoside) | FlavonoidViewer: FL5FAAGS0112 KNApSAcK: C00013779 LipidMAPS: LMPK12111947 |
| C25H24O13 | 532.12169 | -1.432 | Malonylglycitin | HMDB: HMDB0039323 KEGG: C16197 |
| C25H24O13 | 532.12169 | -1.432 | Pelargonidin 3-(6''-succinyl-glucoside) | HMDB: [1]HMDB0301659 |
| C25H24O13 | 532.12169 | -1.432 | (-)-Maackiain-3-O-glucosyl-6''-O-malonate | HMDB: HMDB0039246 KEGG: C16231 KNApSAcK: C00019473 |
| C25H24O13 | 532.12169 | -1.432 | Isoorientin 2'',6''-diacetate | FlavonoidViewer: FL3FACCS0012 HMDB: HMDB0038817 KNApSAcK: C00006163 LipidMAPS: LMPK12110480 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 533.12830 |
| Splash: splash10-000i-0090100000-f21d01d9b70c83d497ef |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 285.07 | 277540 | 248 | 1000 |
| 447.09 | 55190 | 86 | 198 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(E)-4-hydroxyprenyl))-B(2OH) | 2'-Hydroxychalcone | Isogemichalcone C |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(Z)-4-hydroxyprenyl))-B(2OH) | 2'-Hydroxychalcone | Gemichalcone C |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(1OH) | 2'-Hydroxychalcone | 4-Hydroxyrottlerin |
| 0.000 | [Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2'',6''-O-diacetate |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(1(O-Acetyl)-C-Glu))-B(2OMe) | Flavone | 6''-O-Acetylisoorientin 7,3',4'-trimethyl ether |
| 0.000 | [Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Orientin 2'',6''-O-diacetate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(2OH) | Flavone | Orientin 2''-O-(2'''-methylbutyrate) |
| Level: 3, プリカーサーm/z: 285.08444 |
| Splash: splash10-00di-0090000000-3ab28edc87fb6dda579f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.07 | 6645 | 14 | 1000 |
| 270.04 | 4502 | 15 | 677 |
| 285.07 | 2548 | 0 | 383 |
| 286.09 | 1908 | -1 | 287 |
| 152.94 | 977 | 132 | 147 |
| 243.03 | 866 | 42 | 130 |
| 240.07 | 833 | 45 | 125 |
| 239.12 | 775 | 46 | 116 |
| 159.01 | 669 | 126 | 100 |
| 217.13 | 485 | 68 | 73 |
| 218.17 | 454 | 67 | 68 |
| 242.08 | 362 | 43 | 54 |
| 154.07 | 344 | 131 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.182 | [Flavonol]-A(1OH, 1OMe)-B(none) | Flavonol | Zuccagin |
| 0.182 | [Flavonol]-A(1OH, 1OMe)-B(none) | Flavonol | Galangin 5-methyl ether |
| 0.182 | [Flavonol]-A(1OH, 1OMe)-B(none) | Flavonol | Izalpinin |
| 0.130 | [Flavonol]-A(1OMe)-B(1OH) | Flavonol | 5-Deoxyrhamnocitrin |
| 0.115 | [Isoflavone]-A(2OH)-B(1OMe) | Isoflavone | Texasin |
| 0.115 | [Isoflavone]-A(2OH)-B(1OMe) | Isoflavone | Retusin(Dalbergia) |
| 0.115 | [Isoflavone]-A(2OH)-B(1OMe) | Isoflavone | Biochanin A |
| 0.115 | [Isoflavone]-A(2OH, 1OMe)-B(none) | Isoflavone | 5,7-Dihydroxy-6-methoxyisoflavone |
| 0.115 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | 7,2'-Dihydroxy-6-methoxyisoflavone |
| 0.115 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | Glycitein |
| 0.115 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | Kakkatin |
| 0.115 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | 5-O-Methylgenistein |
| 0.115 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | Prunetin |
| 0.115 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | 3'-Methoxydaidzein |
| 0.115 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | Calycosin |
| 0.115 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | Xenognosin B |
| 0.115 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | Teralin |
| 0.105 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(none) | 2'-Hydroxychalcone | Flavokawin B |
| 0.105 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4,4'-dimethyl ether |
| 0.095 | [Flavanone]-A(2OMe)-B(none) | Flavanone | 7,8-Dimethoxyflavanone |
| 0.095 | [Flavanone]-A(2OMe)-B(none) | Flavanone | Pinocembrin 5,7-dimethyl ether |
| 0.095 | [Chalcone]-A(1OMe)-B(1OH, 1OMe) | Chalcone | Glypallichalcone |
| 0.071 | [Flavone]-A(1OH)-B(1OH, 1OMe) | Flavone | Geraldone |
| 0.071 | [Flavone]-A(1OH)-B(1OH, 1OMe) | Flavone | Farnisin |
| 0.071 | [Flavone]-A(1OH, 1OMe)-B(1OH) | Flavone | 7,2'-Dihydroxy-5-methoxyflavone |
| 0.071 | [Flavone]-A(1OH, 1OMe)-B(1OH) | Flavone | Echioidinin |
| 0.071 | [Flavone]-A(2OH)-B(1OMe) | Flavone | Acacetin |
| 0.071 | [Flavone]-A(1OH, 1OMe)-B(1OH) | Flavone | Thevetiaflavone |
| 0.071 | [Flavone]-A(1OH, 1OMe)-B(1OH) | Flavone | Genkwanin |
| 0.071 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | Baicalein 5-methyl ether |
| 0.071 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | Oroxylin A |
| 0.071 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | Negletein |
| 0.071 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | 5,8-Dihydroxy-7-methoxyflavone |
| 0.071 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | Wogonin |
| 0.000 | [Coumestan]-A(1OH)-B(2OH) | Coumestan | 7,10,12-Trihydroxycoumestan |
| 0.000 | [Coumestan]-A(2OH)-B(1OH) | Coumestan | Lucernol |
| 0.000 | [Coumestan]-A(2OH)-B(1OH) | Coumestan | Aureol |
| 0.000 | [Pterocarpan]-A(1OMe)-B(1OMe) | Pterocarpan | Baphinitone |
| 0.000 | [Aurone]-A(2OH, 1Methyl)-B(1OH) | Aurone | 4,6,4'-Trihydroxy-7-methylaurone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Methyl)-B(none) | 2'-Hydroxychalcone | Aurentiacin A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Methyl)-B(none) | 2'-Hydroxychalcone | Triangularin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Methyl)-B(none) | 2'-Hydroxychalcone | Stercurensin |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavanone | Comptonin |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavanone | 7-O-Methylstrobopinin |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavanone | 5-Hydroxy-7-methoxy-8-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OH, 2Methyl)-B(none) | Flavanone | 5,7-Dihydroxy-6,8-dimethylflavanone |
| 0.000 | [Flavone]-A(2OH, 1Methyl)-B(1OH) | Flavone | 6-Methylapigenin |
| 0.000 | [3-substituted Flavone (3-Methyl)]-A(2OH)-B(1OH) | 3-substituted Flavone | 3-C-Methylapigenin |
| 0.000 | [Flavone]-A(2OH)-B(1OH, 1Methyl) | Flavone | 5,7,4'-Trihydroxy-3'-C-methylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(none) | Flavonol | Galangin 3-methyl ether |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(none) | Flavonol | 8-C-Methylgalangin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxy-3-Dehydroxyanthocyanidin]-A(2OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxy-3-Dehydroxyanthocyanidin | Riccionidin A |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH, 1OMe)-B(1OH) | 3-DehydroxyAnthocyanidin | Carajuron |
| 0.000 | [Pterocarpan]-A(1OH)-B(1([@@]-Methylenedioxy)) | Pterocarpan | Maackiain |
| 0.000 | [Coumaranochromon]-A(2OH)-B(1OH) | Coumaranochromon | Lupinalbin A |
| 0.000 | [3-Phenylcoumarin]-A(1OH)-B(1OH, 1OMe) | 3-Phenylcoumarin | 7,2'-Dihydroxy-4'-methoxy-3-phenylcoumarin |
| 0.000 | [2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(1OH, 1OMe) | 2-Phenylbenzofuran | 2'-Hydroxy-4'-methoxy-5,6-methylenedioxy-2-phenylbenzofuran |
| 0.000 | [4-phenylcoumarin]-A(1OH)-B(1OH, 1OMe) | 4-phenylcoumarin | 7,3'-Dihydroxy-4'-methoxy-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH) | 4-phenylcoumarin | Stevenin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH) | 4-phenylcoumarin | Melannin |
| 0.000 | [4-phenylcoumarin]-A(2OH)-B(1OMe) | 4-phenylcoumarin | 5,7-Dihydroxy-4'-methoxy-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH) | 4-phenylcoumarin | 5,4'-Dihydroxy-7-methoxy-4-phenylcoumarin |
| 0.000 | [CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OH)-B(2OH) | CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin | 7,4',5'-Trihydroxy-5,2'-oxido-4-phenylcoumarin |
| 0.000 | [Dalbergiquinol]-A(3OMe)-B(none) | Dalbergiquinol | 2,4,5-Trimethoxydalbergiquinol |
| 0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(2OMe)-B(none) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 3,4-Dimethoxydalbergione |
| 0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OMe) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 4,4'-Dimethoxydalbergione |
| 0.000 | [Neoflavene]-A(1OH, 2OMe)-B(none) | Neoflavene | Kuhlmannene |