ピーク情報
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トマト Micro-Tom 花
pos
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| Peak #9648 MN MID: SE203_S31_M90 |
| m/z: 415.32110, RT: 53.37, 強度: 8297, ログ強度: 0.26, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (48 names) 1,25-Dihydroxy-16-ene-vitamin D3;(5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19),16-cholestatetraene-1,3,25-triol;(5Z,7E)-(1S,3R)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol;14alpha-Hydroxy-5beta-ch... |
| DBごとのヒット数: ALL 42 KG 5 KN 10 HM 3 LM 24 |
| FlavonoidSearch最大スコア MS2: 0.053, 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 |
|---|---|---|---|---|
| C27H42O3 | 414.31340 | 1.034 | 1,25-Dihydroxy-16-ene-vitamin D3 | HMDB: HMDB0244152 |
| C27H42O3 | 414.31340 | 1.034 | (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19),16-cholestatetraene-1,3,25-triol | LipidMAPS: LMST03020171, LMST03020639 |
| C27H42O3 | 414.31340 | 1.034 | (5Z,7E)-(1S,3R)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol | LipidMAPS: LMST03020161 |
| C27H42O3 | 414.31340 | 1.034 | 14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione | KEGG: C16509 |
| C27H42O3 | 414.31340 | 1.034 | Delta4-Dafachronic acid | HMDB: [-1]HMDB0304151 KEGG: C21076, C20839 LipidMAPS: LMST04030217, LMST04030221 |
| C27H42O3 | 414.31340 | 1.034 | Calicoferol I | KNApSAcK: C00050020 LipidMAPS: LMST03020180 |
| C27H42O3 | 414.31340 | 1.034 | (5Z,7E)-(1S,3R,17S,20S)-17,20-methano-21-nor-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol | LipidMAPS: LMST03020176, LMST03020177 |
| C27H42O3 | 414.31340 | 1.034 | (5Z,7E)-(1S,3R,23S)-9,10-seco-5,7,10(19),25-cholestatetraene-1,3,23-triol | LipidMAPS: LMST03020167 |
| C27H42O3 | 414.31340 | 1.034 | Kuguacin C | HMDB: HMDB0302098 KNApSAcK: C00034002 |
| C27H42O3 | 414.31340 | 1.034 | (6Z)-(3S)-3,25-dihydroxy-9,10-seco-5(10),6,8-cholestatrien-1-one | LipidMAPS: LMST03020165 |
| C27H42O3 | 414.31340 | 1.034 | Delta7-Dafachronic acid | KEGG: C21077 LipidMAPS: LMST04030218, LMST04030222 |
| C27H42O3 | 414.31340 | 1.034 | (5Z,7E)-(1S,3R)-24,25-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol | LipidMAPS: LMST03020160 |
| C27H42O3 | 414.31340 | 1.034 | 20S-Hydroxycholest-4-en-3,16-dione | LipidMAPS: LMST01010310 |
| C27H42O3 | 414.31340 | 1.034 | (5Z,7E,23E)-(1S,3R)-9,10-seco-5,7,10(19),23-cholestatetraene-1,3,25-triol | LipidMAPS: LMST03020173 |
| C27H42O3 | 414.31340 | 1.034 | (5Z,7E,22E)-(1S,3R,24R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol | LipidMAPS: LMST03020168, LMST03020169 |
| C27H42O3 | 414.31340 | 1.034 | Griffinisterone C | KNApSAcK: C00048722 |
| C27H42O3 | 414.31340 | 1.034 | (5Z,7E)-(3S)-3,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrien-23-one | LipidMAPS: LMST03020163 |
| C27H42O3 | 414.31340 | 1.034 | (1S,3R)-9,10-seco-5(10),8-cholestadien-6-yne-1,3,25-triol | LipidMAPS: LMST03020174, LMST03020175 |
| C27H42O3 | 414.31340 | 1.034 | ((1R,2R,5R)-2-(2,6-Dimethoxy-4-(2-methyloctan-2-yl)phenyl)-7,7-dimethyl-4-bicyclo(3.1.1)hept-3-enyl) methanol | HMDB: HMDB0242225 |
| C27H42O3 | 414.31340 | 1.034 | (5Z,7E,22E)-(3S,24R)-9,10-seco-5,7,10(19),22-cholestatetraene-3,24,25-triol | LipidMAPS: LMST03020178, LMST03020179 |
| C27H42O3 | 414.31340 | 1.034 | Cabralealactone | KNApSAcK: C00038675 |
| C27H42O3 | 414.31340 | 1.034 | (5Z,7E)-(1S,3R)-18-(3-hydroxy-3-methyl-butyl)-20-methyl-9,10-seco-5,7,10(19),20-pregnatetraen-1,3-diol | LipidMAPS: LMST03020625 |
| C27H42O3 | 414.31340 | 1.034 | Smilagenone | HMDB: HMDB0036941 LipidMAPS: LMST01080116 |
| C27H42O3 | 414.31340 | 1.034 | (5Z,7E)-(1S,3R)-24,25-epoxy-23,23-dimethyl-26,27-dinor-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol | LipidMAPS: LMST03020162 |
| C27H42O3 | 414.31340 | 1.034 | (6E)-(8S)-8,25-dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one | LipidMAPS: LMST03020166 |
| C27H42O3 | 414.31340 | 1.034 | 3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol | KEGG: C14994 |
| C27H42O3 | 414.31340 | 1.034 | (5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-seco-5,7,10(19)-cholestatrien-22-one | LipidMAPS: LMST03020159 |
| C27H42O3 | 414.31340 | 1.034 | 3beta,6alpha-dihydroxy-5alpha-cholesta-9(11),24-dien-23-one | LipidMAPS: LMST01010346 |
| C27H42O3 | 414.31340 | 1.034 | 25-Hydroxy-24-oxocholecalciferol | HMDB: HMDB0245686 LipidMAPS: LMST03020164 |
| C27H42O3 | 414.31340 | 1.034 | Toonaciliatin L | KNApSAcK: C00047602 |
| C27H42O3 | 414.31340 | 1.034 | 20R,22R-dihydroxy-5alpha-campesta-1,4-dien-3-one | LipidMAPS: LMST01010504 |
| C27H42O3 | 414.31340 | 1.034 | 5alpha,9alpha-epidioxy-cholesta-6,8(14)-dien-3beta-ol | LipidMAPS: LMST01010257 |
| C27H42O3 | 414.31340 | 1.034 | (5Z,7E,22E)-(1S,3R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol | LipidMAPS: LMST03020172 |
| C27H42O3 | 414.31340 | 1.034 | Diosgenin | HMDB: HMDB0242671 KEGG: C08898, C08918 KNApSAcK: C00003576, C00003597 LipidMAPS: LMST01080037, LMST01080043, LMST01080045 |
| C27H42O3 | 414.31340 | 1.034 | 5alpha,8alpha-epidioxy-24-methyl-27-nor-cholest-6,22Z-dien-3beta-ol | LipidMAPS: LMST01031110 |
| C27H42O3 | 414.31340 | 1.034 | Griffinisterone F | KNApSAcK: C00048725 |
| C27H42O3 | 414.31340 | 1.034 | 3,8beta-dihydroxy-9,10-seco-1,3,5(10)-cholestatrien-9-one | LipidMAPS: LMST03020693 |
| C27H42O3 | 414.31340 | 1.034 | (5Z,7E)-(1S,3R)-9,10-seco-5,7,9(11),10(19)-cholestatetraene-1,3,25-triol | LipidMAPS: LMST03020170 |
| C27H42O3 | 414.31340 | 1.034 | Phyllofolactone B | KNApSAcK: C00043818, C00043819, C00043820 |
| C27H42O3 | 414.31340 | 1.034 | 9,19-Cyclocholesta-7,20-diene-3,14,26-triol | HMDB: HMDB0041583 KNApSAcK: C00054681 |
| C27H42O3 | 414.31340 | 1.034 | Griffinisterone E | KNApSAcK: C00048724 |
| C27H42O3 | 414.31340 | 1.034 | 3beta,5alpha-dihydroxycholesta-7,9(11)-dien-6-one | LipidMAPS: LMST01010259 |
| C27H42O3 | 414.31340 | 1.034 | 9,10-seco-1,3,5(10),22E-cholestatetraen-3,8beta,9alpha-triol | LipidMAPS: LMST03020691 |
| C27H42O3 | 414.31340 | 1.034 | 20S-Hydroxy-5-alpha-cholest-1-en-3,16-dione | LipidMAPS: LMST01010309 |
| C27H42O3 | 414.31340 | 1.034 | Diospyrolide | KNApSAcK: C00032910 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 415.32077 |
| Splash: splash10-00di-0092000000-2ead1214152737ea3f5c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 273.19 | 8799 | 142 | 1000 |
| 357.30 | 869 | 58 | 98 |
| 396.37 | 724 | 19 | 82 |
| 397.34 | 645 | 18 | 73 |
| 255.24 | 561 | 160 | 63 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.053 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(3OMe) | Flavanone | Heteroflavanone C |
| 0.000 | [Flavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | 3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(2-Hydroxyethyl))-B(1OH, 1OMe) | Flavanone | Laxiflorin |
| 0.000 | [Flavanone]-A(2OH, 1(1(O-Acetyl)-(E)-4-Hydroxyprenyl))-B(2OH) | Flavanone | Kanzonol S |
| 0.000 | [Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(1OH) | Flavone | 3'-Deoxyderhamnosylmaysin |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(8,9-Dihydroxy-7-hydroxymethyl-1,6-dioxaspiro[4,4]non-2-ene)))-B(1OH) | Flavone | Pinnatifinoside A |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Digitoxopyranosyl))-B(1OH) | Flavone | Aciculatin |
| 0.000 | [Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(1OH) | Flavone | 6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)apigenin |
| 0.000 | [4-substituted Flavan 3-ol (4-(2,4,6-Trihydroxyphenyl))]-A(2OH)-B(2OH) | 4-substituted Flavan 3-ol | Prodelphinidin B6 |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(1OH, 1OMe) | 12a-Hydroxyrotenone | Volubinol |