ピーク情報
|
シロイヌナズナ 地上部
pos
|
| Peak #10228 MN MID: SE200_S1_M90 |
| m/z: 645.43815, RT: 88.76, 強度: 493576, ログ強度: 2.07, アダクト: [M+CH3OH-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (4 names) 12-O-(2-Methylbutyryl)phorbol-13-dodecanoate;3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate;Charantoside I;4-O-Methyl-12-O-tetradecanoylphorbol 13... |
| DBごとのヒット数: ALL 4 KN 2 HM 1 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.105 |
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 |
|---|---|---|---|---|
| C37H58O8 | 630.41317 | 3.261 | 12-O-(2-Methylbutyryl)phorbol-13-dodecanoate | KNApSAcK: C00050629 |
| C37H58O8 | 630.41317 | 3.261 | 3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate | LipidMAPS: LMST01020115 |
| C37H58O8 | 630.41317 | 3.261 | Charantoside I | KNApSAcK: C00054729 |
| C37H58O8 | 630.41317 | 3.261 | 4-O-Methyl-12-O-tetradecanoylphorbol 13-acetate | HMDB: HMDB0246554 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 645.43774 |
| Splash: splash10-002b-0097156000-ce6a1c8743fa56372277 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 349.23 | 12330 | 296 | 1000 |
| 595.38 | 11368 | 50 | 921 |
| 613.43 | 11013 | 32 | 893 |
| 275.18 | 10208 | 370 | 827 |
| 627.40 | 6342 | 18 | 514 |
| 353.30 | 4462 | 292 | 361 |
| 247.25 | 3248 | 398 | 263 |
| 321.16 | 2979 | 324 | 241 |
| 293.27 | 2633 | 352 | 213 |
| 471.43 | 2162 | 174 | 175 |
| 229.13 | 2151 | 416 | 174 |
| 265.30 | 1652 | 380 | 134 |
| 521.46 | 1515 | 124 | 122 |
| 577.59 | 1213 | 68 | 98 |
| 279.17 | 1119 | 366 | 90 |
| 539.34 | 1058 | 106 | 85 |
| 485.47 | 978 | 160 | 79 |
| 219.15 | 924 | 426 | 74 |
| 257.28 | 922 | 388 | 74 |
| 267.22 | 898 | 378 | 72 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 349.22687 |
| Splash: splash10-004i-0090000000-4b0626c79d3fe6d17e5d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 275.32 | 4007 | 74 | 1000 |
| 293.20 | 916 | 56 | 228 |
| 247.27 | 337 | 102 | 84 |
| 239.18 | 294 | 110 | 73 |
| 228.97 | 257 | 120 | 64 |
| 161.05 | 249 | 188 | 62 |
| 257.36 | 245 | 92 | 61 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.105 | [Flavonol]-A(3OH)-B(2OH, 1OMe) | Flavonol | 3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone |
| 0.105 | [Flavonol]-A(2OH, 1OMe)-B(3OH) | Flavonol | Hibiscetin 8-methyl ether |
| 0.105 | [Flavonol]-A(4OH)-B(1OH, 1OMe) | Flavonol | 3,5,6,7,8,4'-Hexahydroxy-3'-methoxyflavone |
| 0.100 | [Dihydroflavonol]-A(1OH, 2OMe)-B(2OH) | Dihydroflavonol | Dihydrogossypetin 7,8-dimethyl ether |
| 0.083 | [Coumestan]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Coumestan | Tuberostan |
| 0.077 | [Dihydroflavonol]-A(2OH)-B(1OH, 2OMe) | Dihydroflavonol | Dihydrosyringetin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone |
| 0.000 | [Isoflavan]-A(2OH, 1OMe)-B(1OH, 2OMe) | Isoflavan | Machaerol C |
| 0.000 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavan 3-ol | Gallocatechin 7,3',5'-trimethyl ether |
| 0.000 | [Flavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | 6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone |
| 0.000 | [Flavone]-A(2OMe, 1(3-Methylbutadienyl))-B(none) | Flavone | trans-Anhydrotephrostachin |
| 0.000 | [Dihydroflavonol]-A(2OH, 2Methyl)-B(3OH) | Dihydroflavonol | 3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone |
| 0.000 | [4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(2OH) | 4-substituted Flavan 3-ol | Dryopteric acid |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Calopogoniumisoflavone B |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH, 1(C-Prenyl)) | Pterocarpan | Erybraedin E |
| Level: 3, プリカーサーm/z: 595.37616 |
| Splash: splash10-00b9-0091630000-b369a30f6623ded52d6a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 471.37 | 1707 | 124 | 1000 |
| 275.10 | 1486 | 320 | 870 |
| 349.29 | 417 | 246 | 244 |
| 577.53 | 364 | 18 | 213 |
| 539.46 | 354 | 56 | 207 |
| 293.29 | 325 | 302 | 190 |
| 247.20 | 225 | 348 | 132 |
| 459.45 | 221 | 136 | 129 |
| 265.02 | 184 | 330 | 107 |
| 521.33 | 170 | 74 | 99 |
| 201.11 | 170 | 394 | 99 |
| 567.61 | 167 | 28 | 97 |
| 229.11 | 152 | 366 | 89 |
| 257.39 | 131 | 338 | 76 |
| 239.05 | 126 | 356 | 73 |
| 503.58 | 115 | 92 | 67 |
| 477.41 | 115 | 118 | 67 |
| 407.25 | 99 | 188 | 58 |
| 221.26 | 93 | 374 | 54 |
| 403.67 | 92 | 192 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.040 | [Flavone]-A(2OH, 2(C-Glu))-B(1OH) | Flavone | Vicenin 2 |
| 0.040 | [Isoflavone]-A(2OH, 2(C-Glu))-B(1OH) | Isoflavone | Paniculatin |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone]-A(2OH, 1(C-Glu), 1([3,2:m,n]-(Epoxy-C-glucosyl)))-B(1OH) | UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone | Safflor yellow A |
| 0.000 | [3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH) | 3-substituted Flavone | 3,6-Di-C-glucosylapigenin |
| 0.000 | [3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH) | 3-substituted Flavone | 3,8-Di-C-glucopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Galactosyl))-B(1OH) | Flavone | 6,8-Di-C-galactopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Galactosyl))-B(1OH) | Flavone | 6-C-Glucopyranosyl-8-C-galactopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(1(O-(E)-p-Coumaroyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2''-O-(E)-p-coumarate |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe) | Flavone | 6-C-Xylopyranosyl-8-C-glucopyranosylchrysoeriol |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe) | Flavone | 6-C-Glucopyranosyl-8-C-xylopyranosylchrysoeriol |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe) | Flavone | Chrysoeriol 6-C-glucoside-8-C-arabinopyranoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe) | Flavone | Chrysoeriol 6-C-arabinopyranoside-8-C-glucoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(2OH) | Flavone | Elatin |
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe) | Flavone | 6,8-Di-C-arabinopyranosyltricin |
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe) | Flavone | 6,8-Di-C-arabinopyranosylapometzgerin |