ピーク情報
|
トマト Micro-Tom 花
pos
|
| Peak #10478 MN MID: SE203_S31_M90 |
| m/z: 431.31596, RT: 57.41, 強度: 100448, ログ強度: 1.34, 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: -, MS3: 0.200 |
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 | 0.874 | 24-Oxo-1alpha,25-dihydroxyvitamin D3 | HMDB: HMDB0060128 LipidMAPS: LMST03020186 |
| C27H42O4 | 430.30831 | 0.874 | (20S,22R)-22,25-epoxy-3beta,14alpha-dihydroxy-5beta-cholest-7-en-6-one | LipidMAPS: LMST01010593 |
| C27H42O4 | 430.30831 | 0.874 | Diaulusterol B | KNApSAcK: C00039009 LipidMAPS: LMST01010547 |
| C27H42O4 | 430.30831 | 0.874 | (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 | 0.874 | 7alpha-Hydroxy-3-oxo-4-cholestenoate | HMDB: HMDB0012458 KEGG: C17337 LipidMAPS: LMST04030149, LMST04030242 |
| C27H42O4 | 430.30831 | 0.874 | 2,22-Dideoxy-3-dehydroecdysone | KEGG: C16498 |
| C27H42O4 | 430.30831 | 0.874 | Australigenin | HMDB: HMDB0030066 KEGG: C08891 KNApSAcK: C00003568, C00055393 LipidMAPS: LMST01080049 |
| C27H42O4 | 430.30831 | 0.874 | Barogenin | HMDB: HMDB0034403 KEGG: C17891 KNApSAcK: C00054922, C00054923 LipidMAPS: LMST01010341 |
| C27H42O4 | 430.30831 | 0.874 | (25R)-spirost-5-en-3beta,14alpha-diol | LipidMAPS: LMST01080042 |
| C27H42O4 | 430.30831 | 0.874 | 12-epi-Deoxoscalarin | KNApSAcK: C00044419, C00049767 |
| C27H42O4 | 430.30831 | 0.874 | (25R)-spirost-5-en-3beta,17alpha-diol | LipidMAPS: LMST01080041 |
| C27H42O4 | 430.30831 | 0.874 | (25S)-3-oxo-5alpha-spirostan-6alpha-ol | LipidMAPS: LMST01080024 |
| C27H42O4 | 430.30831 | 0.874 | MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0) | HMDB: HMDB0011590 |
| C27H42O4 | 430.30831 | 0.874 | 12beta,16beta,20R-trihydroxy-cholest-1,4-dien-3-one | LipidMAPS: LMST01010339 |
| C27H42O4 | 430.30831 | 0.874 | 9,10-seco-1,3,5(10),22E-cholestatetraen-3,8beta,9alpha,15beta-tetraol | LipidMAPS: LMST03020692 |
| C27H42O4 | 430.30831 | 0.874 | (5Z,7E)-(1S,3R)-1,3,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrien-18-al | LipidMAPS: LMST03020185 |
| C27H42O4 | 430.30831 | 0.874 | (5Z,7E)-(3S,23S)-3,23,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrien-24-one | LipidMAPS: LMST03020187 |
| C27H42O4 | 430.30831 | 0.874 | 3beta-hydroxy-5alpha,6alpha-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al | LipidMAPS: LMST01010120 |
| C27H42O4 | 430.30831 | 0.874 | Isonarthogenin | KNApSAcK: C00050962 LipidMAPS: LMST01080063 |
| C27H42O4 | 430.30831 | 0.874 | 25-Hydroxyvitamin D3-26,23-lactol | HMDB: HMDB0060127 LipidMAPS: LMST03020188 |
| C27H42O4 | 430.30831 | 0.874 | Homaxisterol C1 | KNApSAcK: C00041592 |
| C27H42O4 | 430.30831 | 0.874 | (3S,16S,20R,24S)-16,24:20,24-diepoxycholest-5-ene-3,25-diol | LipidMAPS: LMST01010500 |
| C27H42O4 | 430.30831 | 0.874 | Nuatigenin | HMDB: HMDB0301755 KEGG: C04715 KNApSAcK: C00003581 LipidMAPS: LMST01090001 |
| C27H42O4 | 430.30831 | 0.874 | (5Z,7E)-(1S,3R)-23-oxo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol | LipidMAPS: LMST03020668 |
| C27H42O4 | 430.30831 | 0.874 | 3beta,5alpha,9alpha-trihydroxycholesta-7,14-dien-6-one | LipidMAPS: LMST01010261 |
| C27H42O4 | 430.30831 | 0.874 | Ruscogenin | HMDB: HMDB0257364 KEGG: C08909 KNApSAcK: C00003587 LipidMAPS: LMST01080038, LMST01080044 |
| C27H42O4 | 430.30831 | 0.874 | Hecogenin | KEGG: C08902 KNApSAcK: C00003580 LipidMAPS: LMST01080014, LMST01080025 |
| C27H42O4 | 430.30831 | 0.874 | (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 | 0.874 | Laxogenin | KNApSAcK: C00051222 |
| C27H42O4 | 430.30831 | 0.874 | Kuguacin E | HMDB: HMDB0302099 KNApSAcK: C00034004 |
| C27H42O4 | 430.30831 | 0.874 | 3,7-Dioxo-5alpha-cholestan-26-oic acid | LipidMAPS: LMST04030133 |
| C27H42O4 | 430.30831 | 0.874 | Lilagenin | HMDB: HMDB0303386 KNApSAcK: C00051277 LipidMAPS: LMST01080011 |
| C27H42O4 | 430.30831 | 0.874 | Furostanol-26-aldehyde | KNApSAcK: C00051951 |
| C27H42O4 | 430.30831 | 0.874 | 22S,25S-Furospirost-5-en-3beta,25-diol | LipidMAPS: LMST01090010 |
| C27H42O4 | 430.30831 | 0.874 | Sargachromanol J | KNApSAcK: C00042956 |
| C27H42O4 | 430.30831 | 0.874 | (25R)-3beta-hydroxycholest-5-en-7-one-26-oate | HMDB: HMDB0062613 LipidMAPS: LMST04030239 |
| C27H42O4 | 430.30831 | 0.874 | Schidigeragenin C | HMDB: HMDB0036249 |
| C27H42O4 | 430.30831 | 0.874 | Homaxisterol B1 | KNApSAcK: C00041590 |
| C27H42O4 | 430.30831 | 0.874 | Balsaminol D | KNApSAcK: C00052860 |
| C27H42O4 | 430.30831 | 0.874 | (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 | 0.874 | 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: 431.31561 |
| Splash: splash10-00di-0090000000-8acf6bfd519cb9dd672e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 273.24 | 95665 | 158 | 1000 |
| 255.27 | 7436 | 176 | 77 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none) | Flavone | Kaplanin |
| 0.000 | [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: 273.22607 |
| Splash: splash10-0a4i-0190000000-dac973633956a8eadeab |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 255.17 | 42488 | 18 | 1000 |
| 161.11 | 7219 | 112 | 169 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
| 0.200 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
| 0.167 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
| 0.100 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
| 0.100 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
| 0.091 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
| 0.091 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
| 0.091 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,8,4'-Trihydroxyflavanone |
| 0.091 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,2'-Trihydroxyflavanone |
| 0.091 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,3'-Trihydroxyflavanone |
| 0.091 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | Naringenin |
| 0.077 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
| 0.077 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
| 0.077 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
| 0.077 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
| 0.071 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
| 0.071 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Vestitol |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Isovestitol |
| 0.000 | [Isoflavan]-A(1OMe)-B(2OH) | Isoflavan | Neovestitol |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | Uvangoletin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | Loureirin C |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | 2,4'-Dihydroxy-4-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone | 4'-O-Methyldavidigenin |
| 0.000 | [Pterocarpan]-A(2OH)-B(1OH) | Pterocarpan | 4-Hydroxydemethylmedicarpin |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Licodione |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',4',6',beta-Tetrahydroxychalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1Methyl)-B(none) | Dihydrochalcone | 3'-Methyl-2',4',6'-trihydroxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(none) | 2-Hydroxyflavanone | 2,5,7-Trihydroxyflavanone (2beta) |
| 0.000 | [Flavan]-A(1OMe)-B(2OH) | Flavan | 3',4'-Dihydroxy-7-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,4'-Dihydroxy-3'-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,3'-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(1OMe) | Flavan | 5,7-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH) | Pterocarpan-6a-ol | Glycinol |
| 0.000 | [alpha-Methyldeoxybenzoin]-A(2OH)-B(1OMe) | alpha-Methyldeoxybenzoin | Angolensin |
| Level: 3, プリカーサーm/z: 255.29105 |
| Splash: splash10-0592-0910000000-ac6e18df54df05d3ef4a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 159.11 | 531 | 96 | 1000 |
| 173.05 | 468 | 82 | 881 |
| 199.13 | 367 | 56 | 692 |
| 147.06 | 300 | 108 | 565 |
| 227.14 | 272 | 28 | 512 |
| 145.01 | 201 | 110 | 378 |
| 160.92 | 199 | 94 | 375 |
| 212.98 | 138 | 42 | 260 |
| 132.99 | 136 | 122 | 255 |
| 185.14 | 128 | 70 | 241 |
| 121.08 | 96 | 134 | 180 |
| 175.15 | 87 | 80 | 163 |
| 135.05 | 69 | 120 | 130 |
| 187.22 | 67 | 68 | 125 |
| 130.98 | 58 | 124 | 108 |
| 95.05 | 33 | 160 | 61 |
| 106.96 | 29 | 148 | 54 |
| 240.28 | 28 | 15 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.208 | [Flavone]-A(1OH)-B(1OH) | Flavone | 7,2'-Dihydroxyflavone |
| 0.208 | [Flavone]-A(1OH)-B(1OH) | Flavone | 7,4'-Dihydroxyflavone |
| 0.208 | [Flavone]-A(1OH)-B(1OH) | Flavone | 5,2'-Dihydroxyflavone |
| 0.208 | [Flavone]-A(1OH)-B(1OH) | Flavone | 8,2'-Dihydroxyflavone |
| 0.208 | [Flavone]-A(none)-B(2OH) | Flavone | 2',5'-Dihydroxyflavone |
| 0.208 | [Flavone]-A(none)-B(2OH) | Flavone | 3',4'-Dihydroxyflavone |
| 0.167 | [Flavonol]-A(1OH)-B(none) | Flavonol | 3,7-Dihydroxyflavone |
| 0.160 | [Flavone]-A(2OH)-B(none) | Flavone | Primetin |
| 0.160 | [Flavone]-A(2OH)-B(none) | Flavone | Chrysin |
| 0.154 | [Isoflavone]-A(1OH)-B(1OH) | Isoflavone | Daidzein |
| 0.154 | [Isoflavone]-A(1OH)-B(1OH) | Isoflavone | 8,4'-Dihydroxyisoflavone |
| 0.111 | [Isoflavone]-A(2OH)-B(none) | Isoflavone | 5,7-Dihydroxyisoflavone |
| 0.074 | [Chalcone]-A(1OH, 1OMe)-B(none) | Chalcone | 4'-Hydroxy-2'-methoxychalcone |
| 0.036 | [Flavanone]-A(1OMe)-B(none) | Flavanone | 7-Methoxyflavanone |
| 0.000 | [Aurone]-A(1OH)-B(1OH) | Aurone | Hispidol |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH)-B(1OH) | 3-DehydroxyAnthocyanidin | Apigeninidin |
| 0.000 | [Pterocarpene]-A(1OH)-B(1OH) | Pterocarpene | Anhydroglycinol |
| 0.000 | [3-substituted 2-Phenylbenzofuran (3-Methyl)]-A(1OH, 1OMe)-B(none) | 3-substituted 2-Phenylbenzofuran | Parvifuran |
| 0.000 | [4-phenylcoumarin]-A(2OH)-B(none) | 4-phenylcoumarin | Nordalbergin |
| 0.000 | [4-phenylcoumarin]-A(2OH)-B(none) | 4-phenylcoumarin | Serratin |
| 0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(none) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 4-Methoxydalbergione |
| 0.000 | [Neoflavene]-A(1OH, 1OMe)-B(none) | Neoflavene | Dalbergichromene |