ピーク情報
|
イネ 葉 ニッポンバレ
pos
|
| Peak #7688 MN MID: SE199_S41_M90 |
| m/z: 285.22124, RT: 87.67, 強度: 13197, ログ強度: 0.53, 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: (23 names) abieta-8,11,13-trien-18-al;17-Methyl-18,19-dinor-17alpha-pregna-4,13-dien-3-one;Retinal;;19-Norpregna-4,17(20)-dien-3-one;Coronarin E;Pisiferin;6,7-Didehydroferruginol;Vitamin A2;Abieta-8,11,13-trien-... |
| DBごとのヒット数: ALL 20 KG 7 KN 11 LM 2 |
| FlavonoidSearch最大スコア MS2: 0.050, MS3: - |
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 |
|---|---|---|---|---|
| C20H28O | 284.21402 | -0.167 | Dehydroabietal | KNApSAcK: C00036109 LipidMAPS: LMPR0104050011 |
| C20H28O | 284.21402 | -0.167 | 17-Methyl-18,19-dinor-17alpha-pregna-4,13-dien-3-one | KEGG: C15170 |
| C20H28O | 284.21402 | -0.167 | Retinal | HMDB: HMDB0001358, HMDB0002152, HMDB0006218, HMDB0006220, HMDB0244342 KEGG: C00376, C02110, C16681 LipidMAPS: LMPR01090002, LMPR01090003, LMPR01090017, LMPR01090018 |
| C20H28O | 284.21402 | -0.167 | LipidMAPS: LMPR0104410002 |
|
| C20H28O | 284.21402 | -0.167 | 19-Norpregna-4,17(20)-dien-3-one | KEGG: C15016 |
| C20H28O | 284.21402 | -0.167 | Coronarin E | KNApSAcK: C00032858 |
| C20H28O | 284.21402 | -0.167 | Pisiferin | KNApSAcK: C00031046 |
| C20H28O | 284.21402 | -0.167 | 6,7-Didehydroferruginol | HMDB: HMDB0035151 KNApSAcK: C00054734 |
| C20H28O | 284.21402 | -0.167 | Vitamin A2 | HMDB: HMDB0013117 LipidMAPS: LMPR01090008, LMPR01090010 |
| C20H28O | 284.21402 | -0.167 | Abieta-8,11,13-trien-7-one | KNApSAcK: C00046998, C00047156 |
| C20H28O | 284.21402 | -0.167 | 3-Methoxyestra-1,3,5(10)-trien-16beta-ol | KEGG: C15262 |
| C20H28O | 284.21402 | -0.167 | 17,17-Dimethyl-18-norandrosta-4,13-dien-3-one | KEGG: C14655 |
| C20H28O | 284.21402 | -0.167 | Angustanal | KNApSAcK: C00049983 |
| C20H28O | 284.21402 | -0.167 | Lynestrenol | HMDB: HMDB0254258 KEGG: C13037 LipidMAPS: LMST02030127 |
| C20H28O | 284.21402 | -0.167 | Cespitularin B | KNApSAcK: C00045753 |
| C20H28O | 284.21402 | -0.167 | 3-Oxo-abieta-8,11,13-triene | KNApSAcK: C00047148 |
| C20H28O | 284.21402 | -0.167 | Vitexifolin C | KNApSAcK: C00045446 |
| C20H28O | 284.21402 | -0.167 | LipidMAPS: LMPR01090035, LMPR01090036 |
|
| C20H28O | 284.21402 | -0.167 | Deoxybuddlejone | KNApSAcK: C00036112 |
| C20H28O | 284.21402 | -0.167 | Aikupikanyne D | KNApSAcK: C00046603 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 285.22122 |
| Splash: splash10-014i-0690000000-407903a2c544fe4f9234 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 267.20 | 10724 | 18 | 1000 |
| 161.03 | 2753 | 124 | 256 |
| 163.04 | 2371 | 122 | 221 |
| 257.24 | 2333 | 28 | 217 |
| 187.07 | 2162 | 98 | 201 |
| 229.18 | 1895 | 56 | 176 |
| 123.04 | 1730 | 162 | 161 |
| 243.09 | 1652 | 42 | 154 |
| 173.13 | 1609 | 112 | 150 |
| 227.20 | 1544 | 58 | 143 |
| 211.11 | 1397 | 74 | 130 |
| 175.18 | 1358 | 110 | 126 |
| 201.14 | 1349 | 84 | 125 |
| 215.08 | 1257 | 70 | 117 |
| 159.08 | 1239 | 126 | 115 |
| 189.10 | 1176 | 96 | 109 |
| 147.03 | 1097 | 138 | 102 |
| 121.13 | 1059 | 164 | 98 |
| 157.05 | 964 | 128 | 89 |
| 225.16 | 955 | 60 | 89 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.321 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | 3'-Methoxydaidzein |
| 0.321 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | Calycosin |
| 0.321 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | Xenognosin B |
| 0.321 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | Teralin |
| 0.233 | [Isoflavone]-A(2OH)-B(1OMe) | Isoflavone | Texasin |
| 0.233 | [Isoflavone]-A(2OH)-B(1OMe) | Isoflavone | Retusin(Dalbergia) |
| 0.233 | [Isoflavone]-A(2OH)-B(1OMe) | Isoflavone | Biochanin A |
| 0.233 | [Isoflavone]-A(2OH, 1OMe)-B(none) | Isoflavone | 5,7-Dihydroxy-6-methoxyisoflavone |
| 0.233 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | 7,2'-Dihydroxy-6-methoxyisoflavone |
| 0.233 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | Glycitein |
| 0.233 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | Kakkatin |
| 0.233 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | 5-O-Methylgenistein |
| 0.233 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | Prunetin |
| 0.192 | [Chalcone]-A(1OMe)-B(1OH, 1OMe) | Chalcone | Glypallichalcone |
| 0.160 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4,4'-dimethyl ether |
| 0.130 | [Pterocarpan]-A(1OMe)-B(1OMe) | Pterocarpan | Baphinitone |
| 0.115 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(none) | 2'-Hydroxychalcone | Flavokawin B |
| 0.107 | [Flavanone]-A(2OMe)-B(none) | Flavanone | 7,8-Dimethoxyflavanone |
| 0.107 | [Flavanone]-A(2OMe)-B(none) | Flavanone | Pinocembrin 5,7-dimethyl ether |
| 0.097 | [Flavonol]-A(1OMe)-B(1OH) | Flavonol | 5-Deoxyrhamnocitrin |
| 0.063 | [Flavonol]-A(1OH, 1OMe)-B(none) | Flavonol | Zuccagin |
| 0.063 | [Flavonol]-A(1OH, 1OMe)-B(none) | Flavonol | Galangin 5-methyl ether |
| 0.063 | [Flavonol]-A(1OH, 1OMe)-B(none) | Flavonol | Izalpinin |
| 0.043 | [Coumestan]-A(1OH)-B(2OH) | Coumestan | 7,10,12-Trihydroxycoumestan |
| 0.043 | [Coumestan]-A(2OH)-B(1OH) | Coumestan | Lucernol |
| 0.043 | [Coumestan]-A(2OH)-B(1OH) | Coumestan | Aureol |
| 0.000 | [Flavone]-A(1OH)-B(1OH, 1OMe) | Flavone | Geraldone |
| 0.000 | [Flavone]-A(1OH)-B(1OH, 1OMe) | Flavone | Farnisin |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OH) | Flavone | 7,2'-Dihydroxy-5-methoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OH) | Flavone | Echioidinin |
| 0.000 | [Flavone]-A(2OH)-B(1OMe) | Flavone | Acacetin |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OH) | Flavone | Thevetiaflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OH) | Flavone | Genkwanin |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | Baicalein 5-methyl ether |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | Oroxylin A |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | Negletein |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | 5,8-Dihydroxy-7-methoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | Wogonin |
| 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 |
| Level: 3, プリカーサーm/z: 267.18011 |
| Splash: splash10-03fs-0960000000-e3bd7a430da4ed9888e5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 211.11 | 1156 | 56 | 1000 |
| 225.24 | 740 | 42 | 640 |
| 197.06 | 648 | 70 | 560 |
| 183.12 | 334 | 84 | 288 |
| 185.15 | 326 | 82 | 282 |
| 159.12 | 246 | 108 | 212 |
| 173.03 | 243 | 94 | 209 |
| 171.20 | 215 | 96 | 186 |
| 252.25 | 207 | 15 | 179 |
| 169.01 | 180 | 98 | 155 |
| 132.97 | 167 | 134 | 144 |
| 145.05 | 156 | 122 | 134 |
| 157.09 | 146 | 110 | 126 |
| 123.10 | 130 | 144 | 112 |
| 239.28 | 126 | 28 | 109 |
| 199.11 | 121 | 68 | 104 |
| 143.15 | 116 | 124 | 100 |
| 107.10 | 78 | 160 | 67 |
| 120.98 | 74 | 146 | 64 |
| 175.30 | 65 | 92 | 56 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [2-substituted Isoflavone (2-Methyl)]-A(1OMe)-B(none) | 2-substituted Isoflavone | 7-Methoxy-2-methylisoflavone |