ピーク情報
|
イネ 葉 コシヒカリ
pos
|
| Peak #8316 MN MID: SE199_S31_M90 |
| m/z: 285.22132, RT: 87.70, 強度: 3968, ログ強度: 0.05, 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: 0.048, 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 | 0.108 | Dehydroabietal | KNApSAcK: C00036109 LipidMAPS: LMPR0104050011 |
| C20H28O | 284.21402 | 0.108 | 17-Methyl-18,19-dinor-17alpha-pregna-4,13-dien-3-one | KEGG: C15170 |
| C20H28O | 284.21402 | 0.108 | Retinal | HMDB: HMDB0001358, HMDB0002152, HMDB0006218, HMDB0006220, HMDB0244342 KEGG: C00376, C02110, C16681 LipidMAPS: LMPR01090002, LMPR01090003, LMPR01090017, LMPR01090018 |
| C20H28O | 284.21402 | 0.108 | LipidMAPS: LMPR0104410002 |
|
| C20H28O | 284.21402 | 0.108 | 19-Norpregna-4,17(20)-dien-3-one | KEGG: C15016 |
| C20H28O | 284.21402 | 0.108 | Coronarin E | KNApSAcK: C00032858 |
| C20H28O | 284.21402 | 0.108 | Pisiferin | KNApSAcK: C00031046 |
| C20H28O | 284.21402 | 0.108 | 6,7-Didehydroferruginol | HMDB: HMDB0035151 KNApSAcK: C00054734 |
| C20H28O | 284.21402 | 0.108 | Vitamin A2 | HMDB: HMDB0013117 LipidMAPS: LMPR01090008, LMPR01090010 |
| C20H28O | 284.21402 | 0.108 | Abieta-8,11,13-trien-7-one | KNApSAcK: C00046998, C00047156 |
| C20H28O | 284.21402 | 0.108 | 3-Methoxyestra-1,3,5(10)-trien-16beta-ol | KEGG: C15262 |
| C20H28O | 284.21402 | 0.108 | 17,17-Dimethyl-18-norandrosta-4,13-dien-3-one | KEGG: C14655 |
| C20H28O | 284.21402 | 0.108 | Angustanal | KNApSAcK: C00049983 |
| C20H28O | 284.21402 | 0.108 | Lynestrenol | HMDB: HMDB0254258 KEGG: C13037 LipidMAPS: LMST02030127 |
| C20H28O | 284.21402 | 0.108 | Cespitularin B | KNApSAcK: C00045753 |
| C20H28O | 284.21402 | 0.108 | 3-Oxo-abieta-8,11,13-triene | KNApSAcK: C00047148 |
| C20H28O | 284.21402 | 0.108 | Vitexifolin C | KNApSAcK: C00045446 |
| C20H28O | 284.21402 | 0.108 | LipidMAPS: LMPR01090035, LMPR01090036 |
|
| C20H28O | 284.21402 | 0.108 | Deoxybuddlejone | KNApSAcK: C00036112 |
| C20H28O | 284.21402 | 0.108 | Aikupikanyne D | KNApSAcK: C00046603 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 285.22119 |
| Splash: splash10-016r-0590000000-de0516ba54114f15aafb |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 267.29 | 5826 | 18 | 1000 |
| 161.01 | 1506 | 124 | 258 |
| 257.30 | 1327 | 28 | 227 |
| 229.18 | 1226 | 56 | 210 |
| 163.10 | 1161 | 122 | 199 |
| 243.19 | 1135 | 42 | 194 |
| 227.17 | 944 | 58 | 161 |
| 187.16 | 939 | 98 | 161 |
| 225.19 | 870 | 60 | 149 |
| 175.14 | 859 | 110 | 147 |
| 211.11 | 847 | 74 | 145 |
| 123.06 | 789 | 162 | 135 |
| 173.07 | 750 | 112 | 128 |
| 147.05 | 643 | 138 | 110 |
| 189.01 | 624 | 96 | 107 |
| 201.19 | 600 | 84 | 103 |
| 215.21 | 582 | 70 | 99 |
| 144.95 | 539 | 140 | 92 |
| 165.10 | 530 | 120 | 91 |
| 121.01 | 526 | 164 | 90 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.370 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | 3'-Methoxydaidzein |
| 0.370 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | Calycosin |
| 0.370 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | Xenognosin B |
| 0.370 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | Teralin |
| 0.276 | [Isoflavone]-A(2OH)-B(1OMe) | Isoflavone | Texasin |
| 0.276 | [Isoflavone]-A(2OH)-B(1OMe) | Isoflavone | Retusin(Dalbergia) |
| 0.276 | [Isoflavone]-A(2OH)-B(1OMe) | Isoflavone | Biochanin A |
| 0.276 | [Isoflavone]-A(2OH, 1OMe)-B(none) | Isoflavone | 5,7-Dihydroxy-6-methoxyisoflavone |
| 0.276 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | 7,2'-Dihydroxy-6-methoxyisoflavone |
| 0.276 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | Glycitein |
| 0.276 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | Kakkatin |
| 0.276 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | 5-O-Methylgenistein |
| 0.276 | [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 |
| 0.133 | [Flavonol]-A(1OMe)-B(1OH) | Flavonol | 5-Deoxyrhamnocitrin |
| 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(1OH, 1OMe)-B(none) | Flavonol | Zuccagin |
| 0.097 | [Flavonol]-A(1OH, 1OMe)-B(none) | Flavonol | Galangin 5-methyl ether |
| 0.097 | [Flavonol]-A(1OH, 1OMe)-B(none) | Flavonol | Izalpinin |
| 0.091 | [Coumestan]-A(1OH)-B(2OH) | Coumestan | 7,10,12-Trihydroxycoumestan |
| 0.091 | [Coumestan]-A(2OH)-B(1OH) | Coumestan | Lucernol |
| 0.091 | [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: 267.21164 |
| Splash: splash10-03fs-0960000000-eea750f7d1d1ba0a4949 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 211.13 | 569 | 56 | 1000 |
| 225.10 | 509 | 42 | 894 |
| 197.03 | 454 | 70 | 797 |
| 183.15 | 192 | 84 | 336 |
| 173.19 | 169 | 94 | 297 |
| 159.09 | 145 | 108 | 255 |
| 185.03 | 136 | 82 | 238 |
| 157.08 | 129 | 110 | 226 |
| 169.07 | 109 | 98 | 191 |
| 171.05 | 93 | 96 | 164 |
| 239.19 | 90 | 28 | 157 |
| 145.10 | 71 | 122 | 125 |
| 252.18 | 64 | 15 | 112 |
| 109.08 | 61 | 158 | 106 |
| 187.09 | 59 | 80 | 102 |
| 198.99 | 55 | 68 | 95 |
| 249.07 | 45 | 18 | 79 |
| 161.10 | 45 | 106 | 79 |
| 143.01 | 39 | 124 | 67 |
| 154.96 | 35 | 112 | 61 |
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 |