ピーク情報
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トマト Micro-Tom 花
pos
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| Peak #11109 MN MID: SE203_S31_M90 |
| m/z: 474.35812, RT: 61.61, 強度: 11796, ログ強度: 0.41, アダクト: [M+ACN+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (41 names) (5E,7E)-(1S,3R,25R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25,26-tetrol;F-Chlorogenin;Epiplakinic acid G;(-)-Epiplakinic acid G;(25R)-5alpha-spirostan-3beta,15beta-diol;(5Z,7E)-(1S,3R)-24a-homo-22-ox... |
| DBごとのヒット数: ALL 40 KG 4 KN 3 HM 2 LM 31 |
| FlavonoidSearch最大スコア MS2: -, 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 |
|---|---|---|---|---|
| C27H44O4 | 432.32396 | 0.776 | (25S)-1alpha,25,26-Trihydroxyvitamin D3/(25S)-1alpha,25S,26-trihydroxycholecalciferol | HMDB: HMDB0242603 LipidMAPS: LMST03020295, LMST03020296 |
| C27H44O4 | 432.32396 | 0.776 | F-Chlorogenin | HMDB: HMDB0030702, HMDB0302189 LipidMAPS: LMST01080018, LMST01080020, LMST01080086 |
| C27H44O4 | 432.32396 | 0.776 | Epiplakinic acid G | KNApSAcK: C00045894, C00045895 |
| C27H44O4 | 432.32396 | 0.776 | (25R)-5alpha-spirostan-3beta,15beta-diol | LipidMAPS: LMST01080016 |
| C27H44O4 | 432.32396 | 0.776 | (5Z,7E)-(1S,3R)-24a-homo-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol | LipidMAPS: LMST03020283, LMST03020284 |
| C27H44O4 | 432.32396 | 0.776 | 7alpha,12alpha,26-trihydroxycholest-4-en-3-one | HMDB: HMDB0062400 LipidMAPS: LMST01010464, LMST04030158 |
| C27H44O4 | 432.32396 | 0.776 | (7E)-(3S,6R)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-3,25-diol | LipidMAPS: LMST03020281, LMST03020282 |
| C27H44O4 | 432.32396 | 0.776 | (5Z,7E)-(3S,23S)-9,10-seco-5,7,10(19)-cholestatriene-3,23,24,25-tetrol | LipidMAPS: LMST03020298 |
| C27H44O4 | 432.32396 | 0.776 | 3beta,5alpha,9alpha-trihydroxycholest-7-en-6-one | LipidMAPS: LMST01010258 |
| C27H44O4 | 432.32396 | 0.776 | (5Z,7E)-(1S,3R,20R,22R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,22,25-tetrol | LipidMAPS: LMST03020291 |
| C27H44O4 | 432.32396 | 0.776 | 3beta,9alpha,14alpha-trihydroxy-5alpha-cholest-7-en-6-one | LipidMAPS: LMST01010541 |
| C27H44O4 | 432.32396 | 0.776 | 3alpha,7beta-Dihydroxy-5beta-cholest-24-en-26-oic acid | HMDB: HMDB0062712 LipidMAPS: LMST04030059, LMST04030142 |
| C27H44O4 | 432.32396 | 0.776 | (25R)-5beta-spirostan-3beta,11alpha-diol | LipidMAPS: LMST01080031 |
| C27H44O4 | 432.32396 | 0.776 | 3beta,6alpha,20S-trihydroxy-5alpha-cholest-9(11)-en-23-one | LipidMAPS: LMST01010319 |
| C27H44O4 | 432.32396 | 0.776 | 7alpha,12alpha,25-Trihydroxycholest-4-en-3-one | LipidMAPS: LMST04030105 |
| C27H44O4 | 432.32396 | 0.776 | (S)-4-ethyl-1-geranylgeranyl malate | LipidMAPS: LMPR0104010041 |
| C27H44O4 | 432.32396 | 0.776 | (5S,9R)-5-[(2R)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-5,9-dimethyldodecanoic acid | LipidMAPS: LMPR02020076 |
| C27H44O4 | 432.32396 | 0.776 | Isorhodeasapogenin | KNApSAcK: C00050988 LipidMAPS: LMST01080002, LMST01080032, LMST01080033 |
| C27H44O4 | 432.32396 | 0.776 | 9alpha,11alpha-epoxycholest-7-en-3beta,5alpha,6beta-triol | LipidMAPS: LMST01010318 |
| C27H44O4 | 432.32396 | 0.776 | (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,24,25,26-tetrol | LipidMAPS: LMST03020300 |
| C27H44O4 | 432.32396 | 0.776 | (5Z,7E)-(1S,3R)-10,19-methano-23-oxa-9,10-seco-5,7-cholestadiene-1,3,25-triol | LipidMAPS: LMST03020285 |
| C27H44O4 | 432.32396 | 0.776 | (5Z,7E)-(1S,3R,11S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,11,25-tetrol | LipidMAPS: LMST03020287, LMST03020288 |
| C27H44O4 | 432.32396 | 0.776 | Rockogenin | HMDB: HMDB0033769 LipidMAPS: LMST01080017 |
| C27H44O4 | 432.32396 | 0.776 | 4-cholesten-7α,12α,24-triol-3-one | HMDB: HMDB0062399 LipidMAPS: LMST04030171 |
| C27H44O4 | 432.32396 | 0.776 | Gitogenin | HMDB: HMDB0301778 KEGG: C08899, C17003 KNApSAcK: C00003577, C00051489 LipidMAPS: LMST01080010, LMST01080026 |
| C27H44O4 | 432.32396 | 0.776 | (7E)-(1S,3R,6R)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-1,3-diol | LipidMAPS: LMST03020277, LMST03020278 |
| C27H44O4 | 432.32396 | 0.776 | (5Z,7E)-(1S,3R,20S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,20,25-tetrol | LipidMAPS: LMST03020290 |
| C27H44O4 | 432.32396 | 0.776 | (25R)-3beta,4beta-dihydroxycholest-5-en-26-oate(1-) | HMDB: HMDB0062794 LipidMAPS: LMST04030266 |
| C27H44O4 | 432.32396 | 0.776 | 2,22-Dideoxyecdysone | KEGG: C16494 LipidMAPS: LMST01010561 |
| C27H44O4 | 432.32396 | 0.776 | (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,22,24,25-tetrol | LipidMAPS: LMST03020297 |
| C27H44O4 | 432.32396 | 0.776 | Calcitetrol | HMDB: HMDB0006228, HMDB0244151 KEGG: C18231 LipidMAPS: LMST03020294, LMST03020686 |
| C27H44O4 | 432.32396 | 0.776 | 3-Oxo-7alpha-hydroxy-5alpha-cholestan-26-oic acid | LipidMAPS: LMST04030132 |
| C27H44O4 | 432.32396 | 0.776 | (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,18,25-tetrol | LipidMAPS: LMST03020289 |
| C27H44O4 | 432.32396 | 0.776 | (1R,3R)-5-[(2E)-2-[(3As,7aS)-1-[(1R)-1-[(2S)-3-hydroxy-2,3-dimethylbutoxy]ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol | HMDB: HMDB0260071 |
| C27H44O4 | 432.32396 | 0.776 | 3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid | LipidMAPS: LMST04030143 |
| C27H44O4 | 432.32396 | 0.776 | 23S,25,26-Trihydroxyvitamin D3 | HMDB: HMDB0060134 LipidMAPS: LMST03020299 |
| C27H44O4 | 432.32396 | 0.776 | trans-Caffeic acid stearyl ester | KNApSAcK: C00049844 |
| C27H44O4 | 432.32396 | 0.776 | 3beta,7alpha-Dihydroxy-5-cholestenoate | HMDB: HMDB0012454 KEGG: C17335 LipidMAPS: LMST04030148, LMST04030235, LMST04030241 |
| C27H44O4 | 432.32396 | 0.776 | 5alpha,9alpha-epidioxy-cholest-7-en-3beta,6beta-diol | LipidMAPS: LMST01010250, LMST01010251 |
| C27H44O4 | 432.32396 | 0.776 | 3alpha,7alpha-Dihydroxy-5beta-cholest-23-en-26-oic acid | LipidMAPS: LMST04030060 |
| C27H44O4 | 432.32396 | 0.776 | (5Z,7E)-(1,2,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,2,3,25-tetrol | LipidMAPS: LMST03020286 |
| C27H44O4 | 432.32396 | 0.776 | 1alpha,23(S),25-trihydroxyvitamin D3 | HMDB: HMDB0062686, HMDB0260101 LipidMAPS: LMST03020292, LMST03020388 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 474.35745 |
| Splash: splash10-03di-0000900000-28a577d10f0ae6044681 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 414.42 | 23302 | 60 | 1000 |
| 385.28 | 1824 | 89 | 78 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 414.41751 |
| Splash: splash10-0079-0079000000-e3504c93787b159180c6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 385.34 | 5685 | 29 | 1000 |
| 273.21 | 3972 | 141 | 698 |
| 255.29 | 986 | 159 | 173 |
| 396.43 | 547 | 18 | 96 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 385.27789 |
| Splash: splash10-00di-0090000000-3343111f38c18afc7d48 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 273.20 | 1610 | 112 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Piscerythrone |
| 0.000 | [Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Piscidone |
| 0.000 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | Gancaonin P 3'-methyl ether |
| 0.000 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | 8-Prenylquercetin 4'-methyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Dihydroflavonol | Eriotrinol |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Dihydroflavonol | 3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone |
| 0.000 | [Flavanone]-A(2OH)-B(2OMe, 1(C-Prenyl)) | Flavanone | 5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone |
| 0.000 | [CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe)-B(1OH) | CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone | Oxyisocyclointegrin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | Uralene |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavonol | 5,7,3',4'-Tetrahydroxy-3-methoxy-6-prenylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | 5,7,3',4'-Tetrahydroxy-3-methoxy-5'-prenylflavone |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(4,6,6-Dimethyldihydropyrano)))-B(2OH) | Flavonol | 4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone |
| 0.000 | [Isoflavone]-A(2OH, Hydroxyprenyl)-B(1OH, 1OMe) | Isoflavone | Gancaonin D |
| 0.000 | [Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(1,1-Dimethylallyl)) | Isoflavanone | Echinoisosophoranone |
| 0.000 | [Isoflavanone-3-ol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavanone-3-ol | Sophoronol |
| 0.000 | [Coumestan]-A(1OH)-B(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl)) | Coumestan | Mirificoumestan hydrate |
| 0.000 | [3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6-Hydroxymethyl-6-methyldihydropyrano)))-B(2OH) | 3-Phenylcoumarin | Licopyranocoumarin |