ピーク情報
|
トマト Micro-Tom 花
pos
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| Peak #11208 MN MID: SE203_S31_M90 |
| m/z: 431.31583, RT: 62.24, 強度: 36674, ログ強度: 0.91, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (40 names) 24-Oxo-1alpha,25-dihydroxyvitamin D3;Diaulusterol B;(5Z,7E,22E)-(1S,3R,25R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25,26-tetrol;7alpha-Hydroxy-3-oxo-4-cholestenoate;2,22-Dideoxy-3-dehydroecdyson... |
| DBごとのヒット数: ALL 38 KG 7 KN 11 HM 2 LM 18 |
| FlavonoidSearch最大スコア MS2: 0.333, MS3: 0.079 |
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 |
|---|---|---|---|---|
| C27H42O4 | 430.30831 | 0.570 | 24-Oxo-1alpha,25-dihydroxyvitamin D3 | HMDB: HMDB0060128 LipidMAPS: LMST03020186 |
| C27H42O4 | 430.30831 | 0.570 | (20S,22R)-22,25-epoxy-3beta,14alpha-dihydroxy-5beta-cholest-7-en-6-one | LipidMAPS: LMST01010593 |
| C27H42O4 | 430.30831 | 0.570 | Diaulusterol B | KNApSAcK: C00039009 LipidMAPS: LMST01010547 |
| C27H42O4 | 430.30831 | 0.570 | (5Z,7E,22E)-(1S,3R,25R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25,26-tetrol | LipidMAPS: LMST03020191, LMST03020192 |
| C27H42O4 | 430.30831 | 0.570 | 7alpha-Hydroxy-3-oxo-4-cholestenoate | HMDB: HMDB0012458 KEGG: C17337 LipidMAPS: LMST04030149, LMST04030242 |
| C27H42O4 | 430.30831 | 0.570 | 2,22-Dideoxy-3-dehydroecdysone | KEGG: C16498 |
| C27H42O4 | 430.30831 | 0.570 | Australigenin | HMDB: HMDB0030066 KEGG: C08891 KNApSAcK: C00003568, C00055393 LipidMAPS: LMST01080049 |
| C27H42O4 | 430.30831 | 0.570 | Barogenin | HMDB: HMDB0034403 KEGG: C17891 KNApSAcK: C00054922, C00054923 LipidMAPS: LMST01010341 |
| C27H42O4 | 430.30831 | 0.570 | (25R)-spirost-5-en-3beta,14alpha-diol | LipidMAPS: LMST01080042 |
| C27H42O4 | 430.30831 | 0.570 | 12-epi-Deoxoscalarin | KNApSAcK: C00044419, C00049767 |
| C27H42O4 | 430.30831 | 0.570 | (25R)-spirost-5-en-3beta,17alpha-diol | LipidMAPS: LMST01080041 |
| C27H42O4 | 430.30831 | 0.570 | (25S)-3-oxo-5alpha-spirostan-6alpha-ol | LipidMAPS: LMST01080024 |
| C27H42O4 | 430.30831 | 0.570 | MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0) | HMDB: HMDB0011590 |
| C27H42O4 | 430.30831 | 0.570 | 12beta,16beta,20R-trihydroxy-cholest-1,4-dien-3-one | LipidMAPS: LMST01010339 |
| C27H42O4 | 430.30831 | 0.570 | 9,10-seco-1,3,5(10),22E-cholestatetraen-3,8beta,9alpha,15beta-tetraol | LipidMAPS: LMST03020692 |
| C27H42O4 | 430.30831 | 0.570 | (5Z,7E)-(1S,3R)-1,3,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrien-18-al | LipidMAPS: LMST03020185 |
| C27H42O4 | 430.30831 | 0.570 | (5Z,7E)-(3S,23S)-3,23,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrien-24-one | LipidMAPS: LMST03020187 |
| C27H42O4 | 430.30831 | 0.570 | 3beta-hydroxy-5alpha,6alpha-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al | LipidMAPS: LMST01010120 |
| C27H42O4 | 430.30831 | 0.570 | Isonarthogenin | KNApSAcK: C00050962 LipidMAPS: LMST01080063 |
| C27H42O4 | 430.30831 | 0.570 | 25-Hydroxyvitamin D3-26,23-lactol | HMDB: HMDB0060127 LipidMAPS: LMST03020188 |
| C27H42O4 | 430.30831 | 0.570 | Homaxisterol C1 | KNApSAcK: C00041592 |
| C27H42O4 | 430.30831 | 0.570 | (3S,16S,20R,24S)-16,24:20,24-diepoxycholest-5-ene-3,25-diol | LipidMAPS: LMST01010500 |
| C27H42O4 | 430.30831 | 0.570 | Nuatigenin | HMDB: HMDB0301755 KEGG: C04715 KNApSAcK: C00003581 LipidMAPS: LMST01090001 |
| C27H42O4 | 430.30831 | 0.570 | (5Z,7E)-(1S,3R)-23-oxo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol | LipidMAPS: LMST03020668 |
| C27H42O4 | 430.30831 | 0.570 | 3beta,5alpha,9alpha-trihydroxycholesta-7,14-dien-6-one | LipidMAPS: LMST01010261 |
| C27H42O4 | 430.30831 | 0.570 | Ruscogenin | HMDB: HMDB0257364 KEGG: C08909 KNApSAcK: C00003587 LipidMAPS: LMST01080038, LMST01080044 |
| C27H42O4 | 430.30831 | 0.570 | Hecogenin | KEGG: C08902 KNApSAcK: C00003580 LipidMAPS: LMST01080014, LMST01080025 |
| C27H42O4 | 430.30831 | 0.570 | (5Z,7E)-(1S,3R,24R,25R)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol | LipidMAPS: LMST03020181, LMST03020182, LMST03020183, LMST03020184 |
| C27H42O4 | 430.30831 | 0.570 | Laxogenin | KNApSAcK: C00051222 |
| C27H42O4 | 430.30831 | 0.570 | Kuguacin E | HMDB: HMDB0302099 KNApSAcK: C00034004 |
| C27H42O4 | 430.30831 | 0.570 | 3,7-Dioxo-5alpha-cholestan-26-oic acid | LipidMAPS: LMST04030133 |
| C27H42O4 | 430.30831 | 0.570 | Lilagenin | HMDB: HMDB0303386 KNApSAcK: C00051277 LipidMAPS: LMST01080011 |
| C27H42O4 | 430.30831 | 0.570 | Furostanol-26-aldehyde | KNApSAcK: C00051951 |
| C27H42O4 | 430.30831 | 0.570 | 22S,25S-Furospirost-5-en-3beta,25-diol | LipidMAPS: LMST01090010 |
| C27H42O4 | 430.30831 | 0.570 | Sargachromanol J | KNApSAcK: C00042956 |
| C27H42O4 | 430.30831 | 0.570 | (25R)-3beta-hydroxycholest-5-en-7-one-26-oate | HMDB: HMDB0062613 LipidMAPS: LMST04030239 |
| C27H42O4 | 430.30831 | 0.570 | Schidigeragenin C | HMDB: HMDB0036249 |
| C27H42O4 | 430.30831 | 0.570 | Homaxisterol B1 | KNApSAcK: C00041590 |
| C27H42O4 | 430.30831 | 0.570 | Balsaminol D | KNApSAcK: C00052860 |
| C27H42O4 | 430.30831 | 0.570 | (5Z,7E,22E)-(1S,3R,24R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24,25-tetrol | LipidMAPS: LMST03020189, LMST03020190 |
| C27H42O4 | 430.30831 | 0.570 | 5alpha,9alpha-epidioxy-8,14alpha-epoxy-cholest-6-en-3beta-ol | LipidMAPS: LMST01010252 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 431.31564 |
| Splash: splash10-01ot-0019300000-7ca7da697a2db4048438 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 395.45 | 8184 | 36 | 1000 |
| 413.36 | 4243 | 18 | 518 |
| 377.44 | 1500 | 54 | 183 |
| 269.22 | 705 | 162 | 86 |
| 281.35 | 552 | 150 | 67 |
| 299.35 | 431 | 132 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.333 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none) | Flavone | Kaplanin |
| 0.333 | [Isoflavone]-A(1OH, 1(C-Glu))-B(1OMe) | Isoflavone | Puerarin 4'-methyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | Isomollupentin 7,4'-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | 7,4'-Di-O-Methylisomollupentin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OH) | Flavone | 8-C-Rhamnosylgenkwanin |
| 0.000 | [Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(2OH) | Flavone | Derhamnosylmaysin |
| 0.000 | [Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(2OH) | Flavone | 6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)luteolin |
| 0.000 | [Flavone]-A(2OH, 1(2,6-Dideoxy-beta-L-xylo-hexopyranosyl))-B(1OH, 1OMe) | Flavone | Alternanthin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(3-hydroxy-3-methylbutyl)) | Flavonol | Aliarin 4'-methyl ether |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OMe, 1(4-hydroxy-3-methylbutyl)) | Flavonol | 3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | 3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<1,6-Dihydroxy-2-cyclohexene-1-carbonyl>)) | Flavan 3-ol | Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate) |
| Level: 3, プリカーサーm/z: 413.26801 |
| Splash: splash10-0002-0009000000-009edc71f4c8a8d542e2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 395.42 | 1403 | 18 | 1000 |
| 377.36 | 420 | 36 | 299 |
| 269.21 | 91 | 144 | 64 |
| 315.22 | 91 | 98 | 64 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | 5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(C-Prenyl)) | Flavonol | Viscosol |
| 0.000 | [4-substituted Flavan 3-ol (4-(2,3,4-Trihydroxyphenyl))]-A(1OH)-B(2OH) | 4-substituted Flavan 3-ol | 4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(2OMe) | Rotenone | Dihydroamorphigenin |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OMe) | Rotenone | Dalpanol |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1(C-Prenyl))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Hydroxyrot-2'-enonic acid |
| Level: 3, プリカーサーm/z: 395.36020 |
| Splash: splash10-004i-0169000000-a9fd717b406c68c9115c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 377.43 | 1108 | 18 | 1000 |
| 269.25 | 473 | 126 | 426 |
| 321.35 | 243 | 74 | 219 |
| 251.16 | 218 | 144 | 197 |
| 359.46 | 163 | 36 | 147 |
| 335.24 | 141 | 60 | 127 |
| 297.28 | 98 | 98 | 88 |
| 197.12 | 93 | 198 | 84 |
| 337.40 | 90 | 58 | 81 |
| 211.16 | 72 | 184 | 65 |
| 156.98 | 72 | 238 | 64 |
| 213.28 | 68 | 182 | 61 |
| 159.12 | 66 | 236 | 59 |
| 295.14 | 65 | 100 | 58 |
| 253.27 | 65 | 142 | 58 |
| 199.09 | 62 | 196 | 56 |
| 227.38 | 59 | 168 | 53 |
| 144.95 | 59 | 250 | 53 |
| 265.11 | 58 | 130 | 52 |
| 215.19 | 58 | 180 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.079 | [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 |