ピーク情報
|
はつか大根 葉
pos
|
| Peak #10290 MN MID: SE202_S21_M90 |
| m/z: 487.34251, RT: 91.88, 強度: 14442, ログ強度: 0.58, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 4 |
| DB検索結果: (25 names) Clethric acid;1beta,3beta,23,24-trihydroxyolean-28,13beta-olide;(1beta,2alpha,3alpha)-1,2,3,24-Tetrahydroxy-12-oleanen-28-oic acid;6beta-Hydroxyhovenic acid;Isothankunic acid;Cyclopassifloic acid D;De... |
| DBごとのヒット数: ALL 21 KN 14 HM 4 LM 3 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.098 |
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 |
|---|---|---|---|---|
| C30H48O6 | 504.34509 | 1.404 | Clethric acid | KNApSAcK: C00029993 |
| C30H48O6 | 504.34509 | 1.404 | 1beta,3beta,23,24-trihydroxyolean-28,13beta-olide | LipidMAPS: LMPR0106150049 |
| C30H48O6 | 504.34509 | 1.404 | (1beta,2alpha,3alpha)-1,2,3,24-Tetrahydroxy-12-oleanen-28-oic acid | HMDB: HMDB0035487 |
| C30H48O6 | 504.34509 | 1.404 | Isothankunic acid | HMDB: HMDB0040772 |
| C30H48O6 | 504.34509 | 1.404 | 6beta-Hydroxyhovenic acid | KNApSAcK: C00045580 |
| C30H48O6 | 504.34509 | 1.404 | Cyclopassifloic acid D | HMDB: HMDB0035948 KNApSAcK: C00046692 |
| C30H48O6 | 504.34509 | 1.404 | Deacetylpicracin | KNApSAcK: C00046712 |
| C30H48O6 | 504.34509 | 1.404 | 6beta-Hydroxyasiatic acid | HMDB: HMDB0036670, HMDB0242432 LipidMAPS: LMPR0106180009 |
| C30H48O6 | 504.34509 | 1.404 | 1-beta-Hydroxyeuscaphic acid | HMDB: HMDB0302616 |
| C30H48O6 | 504.34509 | 1.404 | Stoloniferone R | KNApSAcK: C00048860 LipidMAPS: LMST01031325 |
| C30H48O6 | 504.34509 | 1.404 | (3beta,19alpha)-3,19,23,24-Tetrahydroxy-12-oleanen-28-oic acid | HMDB: HMDB0040784 |
| C30H48O6 | 504.34509 | 1.404 | Myrianthic acid | HMDB: HMDB0035875 KNApSAcK: C00029412, C00032037 |
| C30H48O6 | 504.34509 | 1.404 | Madecassic acid | KNApSAcK: C00051418 |
| C30H48O6 | 504.34509 | 1.404 | Sericic acid | HMDB: HMDB0034501 KNApSAcK: C00035051, C00035162, C00047770 |
| C30H48O6 | 504.34509 | 1.404 | Isothankunic acid | KNApSAcK: C00051005 |
| C30H48O6 | 504.34509 | 1.404 | Anicequol | KNApSAcK: C00015073 |
| C30H48O6 | 504.34509 | 1.404 | 6beta-Hydroxyarjunic acid | KNApSAcK: C00045579 |
| C30H48O6 | 504.34509 | 1.404 | Yardenone A | KNApSAcK: C00045139 |
| C30H48O6 | 504.34509 | 1.404 | Sublateriol A | KNApSAcK: C00033390 |
| C30H48O6 | 504.34509 | 1.404 | Protobassic acid | HMDB: HMDB0034500 LipidMAPS: LMPR0106150035 |
| C30H48O6 | 504.34509 | 1.404 | Camelliagenin D | HMDB: HMDB0034518 KNApSAcK: C00054641, C00055539 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 487.34232 |
| Splash: splash10-00kb-0339800000-35e54b26e781d8db2985 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 395.38 | 530 | 92 | 1000 |
| 469.47 | 397 | 18 | 748 |
| 377.38 | 235 | 110 | 442 |
| 413.43 | 147 | 74 | 276 |
| 431.52 | 138 | 56 | 260 |
| 215.21 | 111 | 272 | 208 |
| 181.05 | 98 | 306 | 185 |
| 255.15 | 76 | 232 | 143 |
| 451.55 | 70 | 36 | 131 |
| 289.23 | 60 | 198 | 112 |
| 163.05 | 55 | 324 | 103 |
| 173.09 | 49 | 314 | 92 |
| 144.98 | 47 | 342 | 88 |
| 159.03 | 45 | 328 | 84 |
| 433.34 | 39 | 54 | 73 |
| 199.13 | 39 | 288 | 73 |
| 233.21 | 38 | 254 | 71 |
| 389.33 | 36 | 98 | 67 |
| 367.44 | 34 | 120 | 64 |
| 171.14 | 34 | 316 | 64 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-2(OMe)-Galloyl)) | Flavan 3-ol | Gallocatechin 3-O-(3,5-di-O-methylgallate) |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(1(O-Coumaroyl)-(E)-4-hydroxyprenyl))-B(1OH) | 2'-Hydroxychalcone | Isogemichalcone B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(1(O-Coumaroyl)-(Z)-4-hydroxyprenyl))-B(1OH) | 2'-Hydroxychalcone | Gemichalcone B |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Artelastochromene |
| Level: 3, プリカーサーm/z: 395.43716 |
| Splash: splash10-004i-0189000000-5e034db87a17856d3bf9 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 377.35 | 93 | 18 | 1000 |
| 267.28 | 18 | 128 | 194 |
| 281.34 | 17 | 114 | 180 |
| 297.38 | 15 | 98 | 164 |
| 295.28 | 14 | 100 | 155 |
| 253.22 | 14 | 142 | 151 |
| 367.56 | 13 | 28 | 136 |
| 241.28 | 12 | 154 | 131 |
| 339.31 | 10 | 56 | 112 |
| 211.19 | 10 | 184 | 111 |
| 311.32 | 10 | 84 | 105 |
| 283.43 | 9 | 112 | 98 |
| 155.22 | 9 | 240 | 92 |
| 265.34 | 8 | 130 | 89 |
| 185.09 | 8 | 210 | 89 |
| 289.39 | 8 | 106 | 86 |
| 359.48 | 8 | 36 | 84 |
| 197.16 | 7 | 198 | 71 |
| 313.28 | 5 | 82 | 59 |
| 261.29 | 5 | 134 | 59 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.139 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe) | Isoflavone | Barbigerone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-Benzoyl)) | Flavan 3-ol | Catechin 3-O-benzoate |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 2(C-Prenyl)) | Dihydrochalcone | Gancaonin J |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 1Geranyl) | Dihydrochalcone | 3-Geranyl-4,2',4'-trihydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 2(C-Prenyl))-B(none) | Dihydrochalcone | 2',4',6'-Trihydroxy-3',5'-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none) | Dihydrochalcone | Linderatin |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | Flavanone | Purpurin |
| 0.000 | [Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-Furano))-B(2OH) | Flavanone | 3',4'-Dihydroxy-7-methoxy-8-prenyl-[2'',3'':5,6]furanoflavanone |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(4-Methyl-5-hydoxy-3a,6a-dihydro-6-oxocyclopenta[b]furano)))-B(2OH) | Flavone | Demethyltorosaflavone C |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Muxiangrin I |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(1OH) | Dihydroflavonol | Gericudranin E |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Flavonol | 8-C-Methylvellokaempferol 3,5-dimethyl ether |
| 0.000 | [Flavan]-A(1OH)-B(2OH, 2(C-Prenyl)) | Flavan | Kazinol A |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Rotenone | Rotenone |
| 0.000 | [Rotenone]-A(1OH, 1(Penta-1,4-dienyl))-B(2OMe) | Rotenone | Myriconol |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Rotenone | Deguelin |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | 12a-Hydroxyisomillettone |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | Millettosin |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(5-Isopropyldihydrofurano)))-B(2OMe) | Dehydrorotenone | Dehydrodihydrorotenone |
| 0.000 | [4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 4-Hydroxy-3-phenylcoumarin | Robustic acid methyl ether |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 4-Hydroxy-3-phenylcoumarin | Robustin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 4-Hydroxy-3-phenylcoumarin | Isorobustin |