ピーク情報
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くるみ いり
pos
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| Peak #4494 MN MID: SE170_S050141_M90 |
| m/z: 325.27372, RT: 65.96, 強度: 1130, ログ強度: -0.45, 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: (21 names) 14-hydroxy-11Z,17Z-eicosadienoic acid;13Z-Labdene-8alpha,15,16-triol;11,12-epoxy-14Z-Eicosenoic acid;15R-hydroxy-11Z-13E-eicosadienoic acid;14,15-Epoxyeicosa-5z-enoic acid;2beta,8beta,15-Trihydroxy-en... |
| DBごとのヒット数: ALL 19 KN 11 HM 2 LM 6 |
| FlavonoidSearch最大スコア MS2: 0.136, MS3: 0.053 |
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 |
|---|---|---|---|---|
| C20H36O3 | 324.26645 | -0.013 | 14-hydroxy-11Z,17Z-eicosadienoic acid | LipidMAPS: LMFA01050431 |
| C20H36O3 | 324.26645 | -0.013 | 13Z-Labdene-8alpha,15,16-triol | KNApSAcK: C00023336 |
| C20H36O3 | 324.26645 | -0.013 | 11,12-epoxy-14Z-Eicosenoic acid | LipidMAPS: LMFA01070024 |
| C20H36O3 | 324.26645 | -0.013 | 15R-hydroxy-11Z-13E-eicosadienoic acid | LipidMAPS: LMFA03000008 |
| C20H36O3 | 324.26645 | -0.013 | 14,15-Epoxyeicosa-5z-enoic acid | HMDB: HMDB0244590 |
| C20H36O3 | 324.26645 | -0.013 | Vitexifolin B | KNApSAcK: C00045445 |
| C20H36O3 | 324.26645 | -0.013 | 2beta,8beta,15-Trihydroxy-ent-labd-13E-one | KNApSAcK: C00023415 |
| C20H36O3 | 324.26645 | -0.013 | 14,15-Dihydro-14,15-dihydroxygeranyllinalol | KNApSAcK: C00022112 |
| C20H36O3 | 324.26645 | -0.013 | 11R-hydroxy-12E,14Z-eicosadienoic acid | LipidMAPS: LMFA03000005, LMFA03000009 |
| C20H36O3 | 324.26645 | -0.013 | Moponeol A | KNApSAcK: C00044939, C00044940 |
| C20H36O3 | 324.26645 | -0.013 | (Z)-15-Oxo-11-eicosenoic acid | HMDB: HMDB0029797 |
| C20H36O3 | 324.26645 | -0.013 | Crolechinol | KNApSAcK: C00035569 |
| C20H36O3 | 324.26645 | -0.013 | Trixagotriol | KNApSAcK: C00022206 |
| C20H36O3 | 324.26645 | -0.013 | 8-Labdene-13R,14R,15-triol | HMDB: HMDB0034957 KNApSAcK: C00023332 |
| C20H36O3 | 324.26645 | -0.013 | 14S,15R-epoxy-11Z-eicosenoic acid | LipidMAPS: LMFA01070021 |
| C20H36O3 | 324.26645 | -0.013 | 20-hydroxy-6Z,15Z-eicosadienoic acid | HMDB: HMDB0245564 LipidMAPS: LMFA03000010 |
| C20H36O3 | 324.26645 | -0.013 | 13E-Labdene-3beta,8alpha,15-triol | KNApSAcK: C00023334 |
| C20H36O3 | 324.26645 | -0.013 | 7-Labdene-13R,14R,15-triol | HMDB: HMDB0034958 KNApSAcK: C00023328 |
| C20H36O3 | 324.26645 | -0.013 | Barbatol | KNApSAcK: C00022300 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 325.27283 |
| Splash: splash10-0aor-0096000000-395168133df56c12aa3c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 307.23 | 3139 | 18 | 1000 |
| 269.23 | 2241 | 56 | 713 |
| 289.27 | 911 | 36 | 290 |
| 268.14 | 493 | 57 | 157 |
| 295.25 | 389 | 30 | 123 |
| 277.31 | 361 | 48 | 115 |
| 187.16 | 247 | 138 | 78 |
| 271.23 | 187 | 54 | 59 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.136 | [Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Abyssinone II |
| 0.136 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Licoagrochalcone A |
| 0.100 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | Glabranin |
| 0.100 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6-C-prenylflavanone |
| 0.100 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Crotaramosmin |
| 0.100 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Desmethylisoxanthohumol |
| 0.087 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Isobavachin |
| 0.087 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachin |
| 0.087 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Isobavachalcone |
| 0.087 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Broussochalcone B |
| 0.056 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan | 2-Prenyldemethylmedicarpin |
| 0.056 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 8-Prenyldemethylmedicarpin |
| 0.056 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | Phaseollidin |
| 0.000 | [Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Chalcone | Crotmadine |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin E |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin F |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin C |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Dorsmanin A |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none) | Dihydrochalcone | 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone |
| 0.000 | [Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavanone | 7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone |
| 0.000 | [Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavanone | 5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe) | Isoflavanone | Neoraunone |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | Isoflavan | Crotmarine |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavan | Glabridin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Phaseollinisoflavan |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe) | Pterocarpan | Ambonane |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Neobanol |
| Level: 3, プリカーサーm/z: 269.22638 |
| Splash: splash10-03di-0090000000-90502d7edf85a4f26fe8 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 213.11 | 1115 | 56 | 1000 |
| 211.99 | 332 | 57 | 297 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Coumestan]-A(1OH)-B(1OH) | Coumestan | Coumestrol |
| 0.067 | [Flavonol]-A(none)-B(1OMe) | Flavonol | 3-Hydroxy-4'-methoxyflavone |
| 0.056 | [Isoflavone]-A(1OH)-B(1OMe) | Isoflavone | Formononetin |
| 0.056 | [Isoflavone]-A(1OH)-B(1OMe) | Isoflavone | Pallidiflorin |
| 0.056 | [Isoflavone]-A(1OMe)-B(1OH) | Isoflavone | Isoformononetin |
| 0.056 | [Isoflavone]-A(1OH, 1OMe)-B(none) | Isoflavone | 5-Hydroxy-7-methoxyisoflavone |
| 0.000 | [Flavone]-A(1OMe)-B(1OH) | Flavone | Isopratol |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(none) | Flavone | Trigraecum |
| 0.000 | [Flavone]-A(1OH)-B(1OMe) | Flavone | 5-Hydroxy-2'-methoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(none) | Flavone | 5-Hydroxy-6-methoxyflavone |
| 0.000 | [Flavone]-A(1OH)-B(1OMe) | Flavone | 6-Hydroxy-4'-methoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(none) | Flavone | Tectochrysin |
| 0.000 | [Aurone]-A(1OH, 1Methyl)-B(1OH) | Aurone | 6,4'-Dihydroxy-7-methylaurone |
| 0.000 | [Flavanone]-A(1OH, 2Methyl)-B(none) | Flavanone | 7-Hydroxy-6,8-di-C-methylflavanone |
| 0.000 | [Flavone]-A(2OH, 1Methyl)-B(none) | Flavone | Strobochrysin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(none) | 4-phenylcoumarin | Dalbergin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(none) | 4-phenylcoumarin | Isodalbergin |
| Level: 3, プリカーサーm/z: 307.22751 |
| Splash: splash10-000i-0390000000-d835a51ff0360868781a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 289.28 | 896 | 18 | 1000 |
| 277.24 | 244 | 30 | 272 |
| 187.12 | 229 | 120 | 255 |
| 271.31 | 177 | 36 | 197 |
| 173.11 | 120 | 134 | 134 |
| 135.07 | 54 | 172 | 60 |
| 119.01 | 50 | 188 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.091 | [Flavan 3-ol]-A(2OH)-B(3OH) | Flavan 3-ol | Gallocatechin |
| 0.053 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Isolonchocarpin |
| 0.053 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Lonchocarpin |
| 0.000 | [Aurone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Aurone | 3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone |
| 0.000 | [Flavan 3,4-diol]-A(1OH)-B(3OH) | Flavan 3,4-diol | 3,4,7,3',4',5'-Hexahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(2OH) | Flavan 3,4-diol | 3,4,7,8,3',4'-Hexahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(2OH) | Flavan 3,4-diol | Catechin-4-ol |
| 0.000 | [Pterocarpene]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpene | Neoduleen |