ピーク情報
|
ゼニゴケ Takaragaike-1
pos
|
| Peak #1740 MN MID: SE205_S05_M90 |
| m/z: 331.17508, RT: 39.99, 強度: 1797, ログ強度: -0.15, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (19 names) Dissectol A;Epijasminoside A;Schizonepetoside C;tetranor-PGFM;Schizonepetoside B;1,1,5-Trimethyl-2-hydroxymethyl-(5)-cyclohexene-(4)-one-O-beta-D-glucopyranoside;(-)-1,1,5-Trimethyl-2-hydroxymethyl-(5... |
| DBごとのヒット数: ALL 18 KG 6 KN 3 HM 8 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.111, 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 |
|---|---|---|---|---|
| C16H26O7 | 330.16785 | -0.162 | Jasminoside A | HMDB: HMDB0033111 KNApSAcK: C00039132, C00039485 |
| C16H26O7 | 330.16785 | -0.162 | Dissectol A | KNApSAcK: C00050583 |
| C16H26O7 | 330.16785 | -0.162 | Schizonepetoside C | KEGG: C17636 KNApSAcK: C00010856 |
| C16H26O7 | 330.16785 | -0.162 | tetranor-PGFM | HMDB: HMDB0258925 LipidMAPS: LMFA03010139 |
| C16H26O7 | 330.16785 | -0.162 | Schizonepetoside B | KEGG: C17635 KNApSAcK: C00010961 |
| C16H26O7 | 330.16785 | -0.162 | 1,1,5-Trimethyl-2-hydroxymethyl-(5)-cyclohexene-(4)-one-O-beta-D-glucopyranoside | KNApSAcK: C00036364 |
| C16H26O7 | 330.16785 | -0.162 | (1S,4R)-10-Hydroxyfenchone glucoside | HMDB: HMDB0033226 |
| C16H26O7 | 330.16785 | -0.162 | 8-Epiiridodial glucoside | KEGG: C11656, C11670 KNApSAcK: C00010634 LipidMAPS: LMPR0102070025, LMPR0102070035 |
| C16H26O7 | 330.16785 | -0.162 | Schizonepetoside A | KEGG: C17634 KNApSAcK: C00010960 |
| C16H26O7 | 330.16785 | -0.162 | (1R,4S,6R)-6-Hydroxyfenchone glucoside | HMDB: HMDB0033225 |
| C16H26O7 | 330.16785 | -0.162 | (1R,4R,5S)-5-Hydroxyfenchone glucoside | HMDB: HMDB0033224 |
| C16H26O7 | 330.16785 | -0.162 | Schizonepetoside D | KEGG: C17637 |
| C16H26O7 | 330.16785 | -0.162 | (4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-glucoside | HMDB: HMDB0039056 |
| C16H26O7 | 330.16785 | -0.162 | (3b,4b,5b)-4,5-Epoxy-p-menth-1-en-3-ol 3-glucoside | HMDB: HMDB0038979 |
| C16H26O7 | 330.16785 | -0.162 | Picrocrocin | HMDB: HMDB0005796 KEGG: C17055 KNApSAcK: C00043821 |
| C16H26O7 | 330.16785 | -0.162 | 6-Hydroxy-2-bornanone glucoside | HMDB: HMDB0034558 |
| C16H26O7 | 330.16785 | -0.162 | Portuloside A | HMDB: HMDB0031382 |
| C17H22O3N4 | 330.16919 | -4.212 | Pirsidomine | HMDB: HMDB0256615 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 331.17429 |
| Splash: splash10-014i-0900000000-54301f00ccc0c24c3e5d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 169.02 | 7339 | 162 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.111 | [Isoflavanone]-A(1OH)-B(3OMe) | Isoflavanone | 3'-O-Methylviolanone |
| 0.063 | [Flavonol]-A(2OH, 1OMe)-B(1OMe) | Flavonol | Betuletol |
| 0.063 | [Flavonol]-A(2OH, 1OMe)-B(1OMe) | Flavonol | 3,5,6-Trihydroxy-7,4'-dimethoxyflavone |
| 0.063 | [Flavonol]-A(2OH, 1OMe)-B(1OMe) | Flavonol | Herbacetin 7,4'-dimethyl ether |
| 0.063 | [Flavonol]-A(2OH, 1OMe)-B(1OMe) | Flavonol | Prudomestin |
| 0.000 | [Flavone]-A(2OH)-B(1OH, 2OMe) | Flavone | 6,7,4'-Trihydroxy-3',5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,4',5'-Trihydroxy-6,2'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH)-B(1OH, 2OMe) | Flavone | Apometzgerin |
| 0.000 | [Flavone]-A(2OH)-B(1OH, 2OMe) | Flavone | Tricin |
| 0.000 | [Flavone]-A(2OMe)-B(3OH) | Flavone | Isoetin 5,7-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | 5,2',6'-Trihydroxy-6,7-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | 6-Hydroxyluteolin 5,6-dimethyl ether |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Jaceosidin |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Desmethoxycentaureidin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | Cirsiliol |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | 6-Hydroxyluteolin 7,3'-dimethyl ether |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Nuchensin |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Tamaridone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | 5,2',3'-Trihydroxy-7,8-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | Rehderianin I |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | Viscidulin II |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | 5,7,2'-Trihydroxy-8,6'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Hypolaetin 7,3'-dimethyl ether |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Hypolaetin 8,3'-dimethyl ether |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | 5,8,2'-Trihydroxy-6,7-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | 5,7,2'-trihydroxy-6,8-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | Isothymusin |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | Desmethoxysudachitin |
| 0.000 | [Flavone]-A(3OH, 1OMe)-B(1OMe) | Flavone | 5,6,8-Trihydroxy-7,4'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | Thymusin |
| 0.000 | [Flavone]-A(3OH, 1OMe)-B(1OMe) | Flavone | 5,6,7-Trihydroxy-8,4'-dimethoxyflavone |
| 0.000 | [Anthocyanidin]-A(1OH, 1OMe)-B(2OH, 1OMe) | Anthocyanidin | Europinidin |
| 0.000 | [Anthocyanidin]-A(2OH)-B(1OH, 2OMe) | Anthocyanidin | Malvidin |
| 0.000 | [Chalcone]-A(1OH, 4OMe)-B(none) | Chalcone | Isodidymocarpin |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(1OH, 1OMe)-B(1OMe) | Dihydroflavonol | 7-Hydroxy-3,5,4'-trimethoxyflavanone |
| 0.000 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | Podospicatin |
| 0.000 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | Iristectorigenin B |
| 0.000 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | Iristectorigenin A |
| 0.000 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | 5,7,4'-Trihydroxy-8,3'-dimethoxyisoflavone |
| 0.000 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | 5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone |
| 0.000 | [Isoflavone]-A(1OH, 2OMe)-B(2OH) | Isoflavone | 6-Methoxyorobol 7-methyl ether |
| 0.000 | [Isoflavone]-A(2OH)-B(1OH, 2OMe) | Isoflavone | 2'-Hydroxy-5'-methoxybiochanin A |
| 0.000 | [Dihydroflavonol]-A(2OMe)-B(1OMe) | Dihydroflavonol | 3-Hydroxy-5,7,4'-trimethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 3OMe)-B(none) | Flavanone | Isopedicin |
| 0.000 | [Flavanone]-A(1OH, 3OMe)-B(none) | Flavanone | 5-Hydroxy-6,7,8-trimethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 3OMe)-B(none) | Flavanone | Kwangsienin A |
| 0.000 | [Flavanone]-A(2OMe)-B(1OH, 1OMe) | Flavanone | 4'-Hydroxy-5,7,2'-trimethoxyflavanone |
| 0.000 | [Flavanone]-A(3OMe)-B(1OH) | Flavanone | 4'-Hydroxy-5,6,7-trimethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 2OMe)-B(1OMe) | Flavanone | 5-Hydroxy-6,7,4'-trimethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 2OMe)-B(1OMe) | Flavanone | 7-Hydroxy-5,8,2'-trimethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 2OMe)-B(1OMe) | Flavanone | 5-Hydroxy-7,8,4'-trimethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe)-B(2OMe) | Flavanone | 5-Hydroxy-7,2',3'-trimethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe)-B(2OMe) | Flavanone | Eriodictyol 7,3',4'-trimethyl ether |
| 0.000 | [Flavanone]-A(1OH, 1OMe)-B(2OMe) | Flavanone | Cerasinone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH) | 2'-Hydroxychalcone | 4,6'-Dihydroxy-2',3',4'-trimethoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH) | 2'-Hydroxychalcone | 4,2'-Dihydroxy-3',4',6'-trimethoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 2OMe)-B(1OMe) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-2,3',6'-trimethoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe) | 2'-Hydroxychalcone | Okanin 3,4,3'-trimethyl ether |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe) | 2'-Hydroxychalcone | Cerasin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 4,2'-Dihydroxy-3,4',6'-trimethoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 3,2'-Dihydroxy-4,4',6'-trimethoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 3OMe)-B(none) | 2'-Hydroxychalcone | Pedicin |
| 0.000 | [Flavonol]-A(2OH, 2OMe)-B(none) | Flavonol | 3,5,7-Trihydroxy-6,8-dimethoxyflavone |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OH) | Flavonol | 6-Hydroxykaempferol 5,6-dimethyl ether |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OH) | Flavonol | Herbacetin 7,8-dimethyl ether |
| 0.000 | [Flavonol]-A(1OH)-B(1OH, 2OMe) | Flavonol | Laurentinol |
| 0.000 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | 3,5,2'-Trihydroxy-7,5'-dimethoxyflavone |
| 0.000 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetin 5,3'-dimethyl ether |
| 0.000 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetin 5,4'-dimethyl ether |
| 0.000 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Rhamnazin |
| 0.000 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Ombuin |
| 0.000 | [Flavonol]-A(2OH)-B(2OMe) | Flavonol | Morelosin |
| 0.000 | [Flavonol]-A(2OH)-B(2OMe) | Flavonol | Dillenetin |
| 0.000 | [Pterocarpan]-A(1OH, 2OMe)-B(1OMe) | Pterocarpan | 4-Hydroxy-2,3,9-trimethoxypterocarpan |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(2OMe) | Pterocarpan | Melilotocarpan C |
| 0.000 | [Pterocarpan]-A(1OH)-B(3OMe) | Pterocarpan | 9-O-Methylphilenopteran |
| 0.000 | [Pterocarpan]-A(2OMe)-B(1OH, 1OMe) | Pterocarpan | Odoricarpan |
| 0.000 | [Isoflavanone]-A(1OMe)-B(1OH, 2OMe) | Isoflavanone | 3'-Methoxyisosativanone |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OMe, 1([@@]-Methylenedioxy))-B(none) | Dihydrochalcone beta-ol | beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone |
| 0.000 | [Flavanone]-A(2OH, 2Methyl)-B(1OH, 1OMe) | Flavanone | 5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OH, 2Methyl)-B(1OH, 1OMe) | Flavanone | 2'-Hydroxymatteucinol |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone]-A(1OH, 1OMe)-B(1OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone | Remerin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH)-C(1(O-Acetyl)) | Dihydroflavonol | Aromadendrin 3-O-acetate |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH, 1OMe)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone | 5-Methoxypeltogynone |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH, 1OMe)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone | 5-Methoxymopanone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH) | Flavonol | 7,3',4'-Trihydroxy-3,8-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe) | Flavonol | 7,8,4'-Trihydroxy-3,3'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe) | Flavonol | Quercetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe) | Flavonol | Quercetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH) | Flavonol | Caryatin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH) | Flavonol | Quercetin 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH) | Flavonol | 6-C-Methylquercetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH) | Flavonol | 8-C-Methylquercetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OMe) | Flavonol | 6-Hydroxykaempferol 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH) | Flavonol | 6-Methoxykaempferol 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH) | Flavonol | 6-Hydroxykaempferol 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OMe) | Flavonol | 5,7,8-Trihydroxy-3,4'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH) | Flavonol | 3,7-Dimethylherbacetin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH) | Flavonol | Herbacetin 3,8-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH, 1OMe)-B(none) | Flavonol | 5,7,8-Trihydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavan 3-ol]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavan 3-ol | 3',4'-Methylenedioxy catechin 5,7-dimethyl ether |
| 0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-oxodihydropyrano)-Flavan 3-ol]-A(1OH)-B(2OH) | CCS-type derivative / [2,3,4:5,4a,4]-(6-oxodihydropyrano)-Flavan 3-ol | Dryopterin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan]-A(2OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan | 8-Hydroxy-5,5-dimethylpeltogynan |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(2OH, 2Methyl)-B(1OMe) | Flavan 4-ol | 5,7-Dihydroxy-4,4'-dimethoxy-6,8-dimethylflavan |
| 0.000 | [Pterocarpan]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan | Trifolian |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Hildecarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Tephrocarpin |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1OMe)-B(1OH) | 12a-Hydroxyrotenone | 4,11,12a-Trihydroxy-9-methoxyrotenone |
| 0.000 | [4-phenylcoumarin]-A(1OH, 2OMe)-B(2OH) | 4-phenylcoumarin | 8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin |
| Level: 3, プリカーサーm/z: 169.02220 |
| Splash: splash10-0abi-1900000000-fa2d728a36262dc788e8 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 108.97 | 1059 | 60 | 1000 |
| 123.04 | 945 | 46 | 892 |
| 139.05 | 674 | 30 | 636 |
| 151.06 | 551 | 18 | 520 |
| 84.94 | 315 | 84 | 297 |
| 112.93 | 307 | 56 | 289 |
| 110.94 | 183 | 58 | 173 |
| 133.06 | 113 | 36 | 107 |
| 107.03 | 108 | 62 | 102 |
| 120.92 | 83 | 48 | 78 |
| 70.93 | 66 | 98 | 62 |
| 68.96 | 61 | 100 | 57 |
| 92.99 | 54 | 76 | 51 |
FlavonoidSearch結果
ヒットなし