ピーク情報
|
ゼニゴケ Takaragaike-1
pos
|
| Peak #2742 MN MID: SE205_S05_M90 |
| m/z: 325.27366, RT: 94.54, 強度: 6890, ログ強度: 0.44, 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: 0.125, MS3: 0.333 |
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 | -0.191 | 14-hydroxy-11Z,17Z-eicosadienoic acid | LipidMAPS: LMFA01050431 |
| C20H36O3 | 324.26645 | -0.191 | 13Z-Labdene-8alpha,15,16-triol | KNApSAcK: C00023336 |
| C20H36O3 | 324.26645 | -0.191 | 11,12-epoxy-14Z-Eicosenoic acid | LipidMAPS: LMFA01070024 |
| C20H36O3 | 324.26645 | -0.191 | 15R-hydroxy-11Z-13E-eicosadienoic acid | LipidMAPS: LMFA03000008 |
| C20H36O3 | 324.26645 | -0.191 | 14,15-Epoxyeicosa-5z-enoic acid | HMDB: HMDB0244590 |
| C20H36O3 | 324.26645 | -0.191 | Vitexifolin B | KNApSAcK: C00045445 |
| C20H36O3 | 324.26645 | -0.191 | 2beta,8beta,15-Trihydroxy-ent-labd-13E-one | KNApSAcK: C00023415 |
| C20H36O3 | 324.26645 | -0.191 | 14,15-Dihydro-14,15-dihydroxygeranyllinalol | KNApSAcK: C00022112 |
| C20H36O3 | 324.26645 | -0.191 | 11R-hydroxy-12E,14Z-eicosadienoic acid | LipidMAPS: LMFA03000005, LMFA03000009 |
| C20H36O3 | 324.26645 | -0.191 | Moponeol A | KNApSAcK: C00044939, C00044940 |
| C20H36O3 | 324.26645 | -0.191 | (Z)-15-Oxo-11-eicosenoic acid | HMDB: HMDB0029797 |
| C20H36O3 | 324.26645 | -0.191 | Crolechinol | KNApSAcK: C00035569 |
| C20H36O3 | 324.26645 | -0.191 | Trixagotriol | KNApSAcK: C00022206 |
| C20H36O3 | 324.26645 | -0.191 | 8-Labdene-13R,14R,15-triol | HMDB: HMDB0034957 KNApSAcK: C00023332 |
| C20H36O3 | 324.26645 | -0.191 | 14S,15R-epoxy-11Z-eicosenoic acid | LipidMAPS: LMFA01070021 |
| C20H36O3 | 324.26645 | -0.191 | 20-hydroxy-6Z,15Z-eicosadienoic acid | HMDB: HMDB0245564 LipidMAPS: LMFA03000010 |
| C20H36O3 | 324.26645 | -0.191 | 13E-Labdene-3beta,8alpha,15-triol | KNApSAcK: C00023334 |
| C20H36O3 | 324.26645 | -0.191 | 7-Labdene-13R,14R,15-triol | HMDB: HMDB0034958 KNApSAcK: C00023328 |
| C20H36O3 | 324.26645 | -0.191 | Barbatol | KNApSAcK: C00022300 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 325.27356 |
| Splash: splash10-0a4i-0029000000-eeb7ab43ef580eb33e37 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 307.24 | 14339 | 18 | 1000 |
| 251.19 | 2156 | 74 | 150 |
| 237.19 | 1371 | 88 | 95 |
| 269.15 | 960 | 56 | 66 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.125 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | Glabranin |
| 0.125 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6-C-prenylflavanone |
| 0.125 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Crotaramosmin |
| 0.125 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Desmethylisoxanthohumol |
| 0.105 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Isobavachin |
| 0.105 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachin |
| 0.105 | [Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Abyssinone II |
| 0.105 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Isobavachalcone |
| 0.105 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Broussochalcone B |
| 0.105 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Licoagrochalcone A |
| 0.071 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan | 2-Prenyldemethylmedicarpin |
| 0.071 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 8-Prenyldemethylmedicarpin |
| 0.071 | [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: 307.21973 |
| Splash: splash10-0udr-0090000000-47d499ebf7d016b64869 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 251.16 | 3046 | 56 | 1000 |
| 237.14 | 1976 | 70 | 648 |
| 223.11 | 915 | 84 | 300 |
| 265.21 | 852 | 42 | 279 |
| 289.32 | 222 | 18 | 72 |
| 179.11 | 203 | 128 | 66 |
| 209.14 | 198 | 98 | 64 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.333 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Isolonchocarpin |
| 0.333 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Lonchocarpin |
| 0.091 | [Flavan 3-ol]-A(2OH)-B(3OH) | Flavan 3-ol | Gallocatechin |
| 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 |
| Level: 3, プリカーサーm/z: 251.10675 |
| Splash: splash10-001j-0950000000-b366adf8ffd9d4871d71 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 233.15 | 173 | 18 | 1000 |
| 195.03 | 158 | 56 | 910 |
| 205.19 | 109 | 46 | 627 |
| 167.05 | 92 | 84 | 532 |
| 181.03 | 70 | 70 | 402 |
| 122.96 | 61 | 128 | 350 |
| 134.91 | 42 | 116 | 243 |
| 223.23 | 42 | 28 | 241 |
| 215.16 | 39 | 36 | 222 |
| 179.10 | 36 | 72 | 207 |
| 193.08 | 32 | 58 | 185 |
| 95.05 | 28 | 156 | 162 |
| 139.02 | 25 | 112 | 146 |
| 121.08 | 25 | 130 | 145 |
| 191.12 | 23 | 60 | 134 |
| 203.18 | 20 | 48 | 113 |
| 148.93 | 18 | 102 | 101 |
| 151.18 | 16 | 100 | 91 |
| 209.54 | 14 | 42 | 82 |
| 173.17 | 13 | 78 | 76 |
FlavonoidSearch結果
ヒットなし