ピーク情報
|
ゼニゴケ Takaragaike-1
pos
|
| Peak #2725 MN MID: SE205_S05_M90 |
| m/z: 339.25298, RT: 89.46, 強度: 1915, ログ強度: -0.12, 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: (58 names) Pacificin E;(-)-Pacificin E;Villenatriolone;14,15-Dihydroxyicosa-2,4,6-trienoic acid;Sterebin E;5,6-DHET;Pacificin C;(-)-Pacificin C;2alpha,3alpha-Dihydroxycativic acid;Methyl-2-epinuapapuinoate;Trine... |
| DBごとのヒット数: ALL 52 KG 7 KN 34 HM 4 LM 7 |
| FlavonoidSearch最大スコア MS2: 0.100, MS3: 0.235 |
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 |
|---|---|---|---|---|
| C20H34O4 | 338.24571 | -0.019 | Pacificin E | KNApSAcK: C00042817 |
| C20H34O4 | 338.24571 | -0.019 | 14,15-Dihydroxyicosa-2,4,6-trienoic acid | HMDB: HMDB0255350 |
| C20H34O4 | 338.24571 | -0.019 | Villenatriolone | KNApSAcK: C00023364 |
| C20H34O4 | 338.24571 | -0.019 | Sterebin E | HMDB: HMDB0035379 KNApSAcK: C00022736, C00022737 |
| C20H34O4 | 338.24571 | -0.019 | 5,6-DHET | HMDB: HMDB0002343 KEGG: C14772 LipidMAPS: LMFA03050004, LMFA03050015 |
| C20H34O4 | 338.24571 | -0.019 | Pacificin C | KNApSAcK: C00042815 |
| C20H34O4 | 338.24571 | -0.019 | Methyl-2-epinuapapuinoate | KNApSAcK: C00039760, C00039883 |
| C20H34O4 | 338.24571 | -0.019 | 2alpha,3alpha-Dihydroxycativic acid | KNApSAcK: C00023327 |
| C20H34O4 | 338.24571 | -0.019 | Trinervinol | KNApSAcK: C00037951 |
| C20H34O4 | 338.24571 | -0.019 | Epijabugotriol | KNApSAcK: C00022354 |
| C20H34O4 | 338.24571 | -0.019 | ent-3alpha,14alpha,16beta,17-tetrahydroxyatisane | LipidMAPS: LMPR0104150008 |
| C20H34O4 | 338.24571 | -0.019 | LipidMAPS: LMPR0102090068 |
|
| C20H34O4 | 338.24571 | -0.019 | (ent-6alpha,8alpha,13E)-6,8-Dihydroxy-13-labden-15-oic acid | KNApSAcK: C00022242 |
| C20H34O4 | 338.24571 | -0.019 | Cordobic acid | KNApSAcK: C00022246, C00022248 |
| C20H34O4 | 338.24571 | -0.019 | 8alpha,12R,13S,14S-Diepoxy-15,16-labdanediol | KNApSAcK: C00022340 |
| C20H34O4 | 338.24571 | -0.019 | 8alpha,12R-Epoxy-13E-labden-1beta,6beta,11alpha-triol | KNApSAcK: C00022361 |
| C20H34O4 | 338.24571 | -0.019 | Betaenone E | KNApSAcK: C00000532 |
| C20H34O4 | 338.24571 | -0.019 | (E,Z,Z)-3,7,11-Trihydroxymethyl-15-methyl-2,6,10,14-hexadecatetraen-1-ol | KNApSAcK: C00022103 |
| C20H34O4 | 338.24571 | -0.019 | Jewenol A | KNApSAcK: C00023489 |
| C20H34O4 | 338.24571 | -0.019 | 3beta,8alpha-Dihydroxy-13E-labden-15-oic acid | KNApSAcK: C00023335 |
| C20H34O4 | 338.24571 | -0.019 | 3beta,7alpha-Dihydroxy-8(17)-labden-15-oic acid | KNApSAcK: C00023333 |
| C20H34O4 | 338.24571 | -0.019 | 15-Hydroperoxyeicosa-8Z,11Z,13E-trienoate | HMDB: HMDB0060106 |
| C20H34O4 | 338.24571 | -0.019 | Neoconcinndiol hydroperoxide | KNApSAcK: C00023462 |
| C20H34O4 | 338.24571 | -0.019 | Zoapatanol | HMDB: HMDB0242237 KEGG: C09205 KNApSAcK: C00003495 |
| C20H34O4 | 338.24571 | -0.019 | 11-Deoxy-PGE1 | HMDB: HMDB0251584 LipidMAPS: LMFA03010054 |
| C20H34O4 | 338.24571 | -0.019 | LipidMAPS: LMPR0102090067 |
|
| C20H34O4 | 338.24571 | -0.019 | Pterokaurane M3 | KNApSAcK: C00040103 |
| C20H34O4 | 338.24571 | -0.019 | 8,9-DHET | HMDB: HMDB0002311 KEGG: C14773 LipidMAPS: LMFA03050006, LMFA03050016 |
| C20H34O4 | 338.24571 | -0.019 | Sterebin M | KNApSAcK: C00045084, C00045085 |
| C20H34O4 | 338.24571 | -0.019 | Kirenol | HMDB: HMDB0253803 KNApSAcK: C00047951 |
| C20H34O4 | 338.24571 | -0.019 | 15-Dihydroxyeicosatrienoic acid | HMDB: HMDB0244665 |
| C20H34O4 | 338.24571 | -0.019 | 14-(2',3',5'-Trihydroxyphenyl)tetradecan-2-ol | LipidMAPS: LMPK15020006 |
| C20H34O4 | 338.24571 | -0.019 | 3alpha-Hydroxygomeric acid | KNApSAcK: C00022269 |
| C20H34O4 | 338.24571 | -0.019 | 10,11-dihydro-leukotriene B4 | HMDB: HMDB0012504 LipidMAPS: LMFA03020045 |
| C20H34O4 | 338.24571 | -0.019 | 9S,15S-dihydroxy-5Z,13E-prostadienoic acid | LipidMAPS: LMFA03010078, LMFA03010164 |
| C20H34O4 | 338.24571 | -0.019 | 14,15-DHET | HMDB: HMDB0002265, HMDB0244588 KEGG: C14775 LipidMAPS: LMFA03050010 |
| C20H34O4 | 338.24571 | -0.019 | (ent-13S)-15,16-Dihydroxy-8(17)-labden-18-oic acid | KNApSAcK: C00022249 |
| C20H34O4 | 338.24571 | -0.019 | Aphidicolin | HMDB: HMDB0245864 KEGG: C06088 KNApSAcK: C00000873, C00023944 |
| C20H34O4 | 338.24571 | -0.019 | 12-Keto-tetrahydro-leukotriene B4 | HMDB: HMDB0002995 LipidMAPS: LMFA03020004 |
| C20H34O4 | 338.24571 | -0.019 | S 1033 | KEGG: [-1f]C15450 |
| C20H34O4 | 338.24571 | -0.019 | Sclerophytin A | KNApSAcK: C00046387 LipidMAPS: LMPR0104210006 |
| C20H34O4 | 338.24571 | -0.019 | Linkiol | KNApSAcK: C00021382 |
| C20H34O4 | 338.24571 | -0.019 | 2alpha,15,16-Trihydroxy-3-oxo-ent-cleroda-13Z-ene | KNApSAcK: C00022785 |
| C20H34O4 | 338.24571 | -0.019 | 11,12-DHET | HMDB: HMDB0002314 KEGG: C14774 LipidMAPS: LMFA03050008 |
| C20H34O4 | 338.24571 | -0.019 | 2,6,10,14-Phytatetraene-1,16,18,20-tetrol | KNApSAcK: C00022102 |
| C20H34O4 | 338.24571 | -0.019 | 6,7-dihydro-12-epi-LTB4 | HMDB: HMDB0012838 LipidMAPS: LMFA03020070 |
| C20H34O4 | 338.24571 | -0.019 | Cycloschkuhriadiol | KNApSAcK: C00022214 |
| C20H34O4 | 338.24571 | -0.019 | (-)-Ebelactone A | HMDB: HMDB0251671 KNApSAcK: C00018475 |
| C20H34O4 | 338.24571 | -0.019 | Dihydroxyeicosatrienoic acid | HMDB: HMDB0251343 |
| C20H34O4 | 338.24571 | -0.019 | Ballodiolic acid | KNApSAcK: C00031621 |
| C20H34O4 | 338.24571 | -0.019 | 8,12,19-Trihydroxygeranylnerol | KNApSAcK: C00022100 |
| C20H34O4 | 338.24571 | -0.019 | Havardic acid C | KNApSAcK: C00022243 |
| C20H34O4 | 338.24571 | -0.019 | (2beta,13Z)-7,13-Labdadiene-2,15,16,17-tetrol | KNApSAcK: C00022735 |
| C20H34O4 | 338.24571 | -0.019 | 8R,9S-epoxy-10S-hydroxy-11Z,14Z-eicosadienoic acid | LipidMAPS: LMFA03000014 |
| C20H34O4 | 338.24571 | -0.019 | Prezoapatanol | KNApSAcK: C00022157 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 339.25174 |
| Splash: splash10-00di-0009000000-b2677e46e1e41e69f4a8 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 321.12 | 1260 | 18 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.100 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Citflavanone |
| 0.100 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Paratocarpin K |
| 0.100 | [2'-Hydroxychalcone]-A(3OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Mallotus A |
| 0.077 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 2'-Hydroxychalcone | 3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone |
| 0.071 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | 4-Hydroxyderricin |
| 0.071 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Bavachalcone |
| 0.071 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Isoxanthohumol(Helichrysum) |
| 0.071 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone |
| 0.067 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | 5-Methoxy-7-hydroxy-8-C-prenylflavanone |
| 0.067 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | Tephrinone |
| 0.067 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | 5-Hydroxy-7-methoxy-6-C-prenylflavanone |
| 0.067 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | 4'-Hydroxyisoderricin |
| 0.067 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachinin |
| 0.063 | [Flavone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Flavone | Yinyanghuo D |
| 0.063 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavone | 5,7,4'-Trihydroxy-6-prenylflavone |
| 0.063 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavone | Licoflavone C |
| 0.063 | [Chalcone]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Chalcone | Licochalcone C |
| 0.059 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavone | Wighteone |
| 0.059 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavone | Lupiwighteone |
| 0.059 | [Isoflavone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Isoflavone | Isowighteone |
| 0.045 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(none) | Flavonol | 3,5,7-Trihydroxy-8-prenylflavone |
| 0.045 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(none) | Flavonol | 3,5,7-Trihydroxy-6-prenylflavone |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OMe, 1(C-Prenyl)) | Pterocarpan | Sandwicensin |
| 0.000 | [Auronol (2-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Auronol | Castillene D |
| 0.000 | [Chalcone]-A(1OH)-B(1OH, 1OMe, 1(1,1-Dimethylallyl)) | Chalcone | Licochalcone A |
| 0.000 | [Chalcone]-A(1OH, 1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Chalcone | 5'-Hydroxy-2'-methoxy-3,4-methylenedioxyfurano[2'',3'':4',3']chalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1Oxo, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Ovalitenone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin B |
| 0.000 | [Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Dihydrochalcone | Crotaramin |
| 0.000 | [Flavanone]-A(1OMe, 1(2-Hydroxy-1,1-dimethylallyl))-B(none) | Flavanone | Falciformin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none) | Flavanone | 6-C-Prenyl-8-C-methylpinocembrin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none) | Flavanone | 5,7-Dihydroxy-6-methyl-8-prenylflavanone |
| 0.000 | [Flavanone]-A(2OH, 1(4-Oxoprenyl))-B(none) | Flavanone | 5,7-Dihydroxy-8-C-(4-oxoprenyl)flavanone |
| 0.000 | [Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(none) | Flavonol | 8-(1,1-Dimethylallyl)galangin |
| 0.000 | [Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flavan 4-ol | Hildgardtol A |
| 0.000 | [Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 4-ol | Hildgardtol B |
| 0.000 | [Flavan]-A(2OMe, 1(C-Prenyl))-B(none) | Flavan | 5,7-Dimethoxy-8-prenylflavan |
| 0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(1OH) | CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin | 5-Carboxypyranopelargonidin |
| 0.000 | [Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Isoflavone | Psoralenol |
| 0.000 | [Isoflavone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Isoflavone | 6-(1,1-Dimethylallyl)genistein |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Isoflavone | Crotalarin |
| 0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavanone | Neotenone |
| 0.000 | [Isoflavan]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | 2'-O-Methylphaseollinisoflavan |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Isoflavan | 4'-O-Methylglabridin |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Ficinin |
| 0.000 | [Pterocarpan]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Pterocarpan | Apiocarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Pterocarpan-6a-ol | Glyceollin III |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan-6a-ol | Glyceollin I |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan-6a-ol | Glyceollin II |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan-6a-ol | Tuberosin |
| 0.000 | [2-Phenylbenzofuran]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 2-Phenylbenzofuran | Neoraufurane |
| Level: 3, プリカーサーm/z: 321.12445 |
| Splash: splash10-0006-0092000000-9a21125b3dbf3e3940a1 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 293.24 | 153 | 28 | 1000 |
| 303.24 | 50 | 18 | 325 |
| 163.34 | 11 | 158 | 70 |
| 237.19 | 9 | 84 | 59 |
| 221.12 | 9 | 100 | 58 |
| 225.18 | 9 | 96 | 58 |
| 145.16 | 9 | 176 | 56 |
| 94.89 | 8 | 226 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.235 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Erythrinin A |
| 0.167 | [Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Corylin |
| 0.154 | [Dihydroflavonol]-A(2OH)-B(3OH) | Dihydroflavonol | 3,5,7,3',4',5'-Hexahydroxyflavanone |
| 0.111 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavone | 5-Hydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavone |
| 0.083 | [Flavan 3-ol]-A(2OH, 1OMe)-B(2OH) | Flavan 3-ol | 3,5,7,3',4'-Pentahydroxy-6-methoxyflavan |
| 0.083 | [Flavan 3-ol]-A(2OH)-B(2OH, 1OMe) | Flavan 3-ol | Gallocatechin 4'-methyl ether |
| 0.000 | [Auronol]-A(2OH)-B(3OH) | Auronol | Amaronol A |
| 0.000 | [alpha-Hydroxychalcone]-A(4OH)-B(2OH) | alpha-Hydroxychalcone | 3,4,2',3',4',6',alpha-Heptahydroxychalcone |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OH)-B(2OH, 1OMe) | Dihydrochalcone beta-ol | Gliricidol |
| 0.000 | [3-substituted Flavanone (3-Methyl)]-A(2OH, 1Cl)-B(1OH) | 3-substituted Flavanone | 8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone |
| 0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe)-B(2OH) | Flavan 3,4-diol | Mesquitol-4alpha-ol 8-methyl ether |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH, 1OMe) | Flavan 3,4-diol | Catechin-4-ol 3'-methyl ether |
| 0.000 | [Flav-3-ene]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flav-3-ene | Hildgardtene |
| 0.000 | [Pterocarpene]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpene | Anhydrotuberosin |
| 0.000 | [Coumestan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Coumestan | Erosnin |