ピーク情報
|
しそ 葉 生
pos
|
| Peak #2192 MN MID: SE113_S060951_M90 |
| m/z: 347.13353, RT: 35.50, 強度: 2583, 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）: 7 |
| DB検索結果: (17 names) 3,4,5-Trimethoxyphenyl glucoside;Eranthemoside;1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3'-O-b-D-glucoside;6-Deoxycatalpol;(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 3-O-beta-D-Glucopyranosi... |
| DBごとのヒット数: ALL 16 KG 2 KN 9 HM 5 |
| FlavonoidSearch最大スコア MS2: 0.120, 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 |
|---|---|---|---|---|
| C15H22O9 | 346.12638 | -0.373 | 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside | HMDB: HMDB0041189 KNApSAcK: C00034384 |
| C15H22O9 | 346.12638 | -0.373 | 1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3'-O-b-D-glucoside | HMDB: HMDB0035057 |
| C15H22O9 | 346.12638 | -0.373 | Eranthemoside | KNApSAcK: C00010547 |
| C15H22O9 | 346.12638 | -0.373 | 6-Deoxycatalpol | KNApSAcK: C00010517 |
| C15H22O9 | 346.12638 | -0.373 | (1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 3-O-beta-D-Glucopyranoside | HMDB: HMDB0040602 |
| C15H22O9 | 346.12638 | -0.373 | (1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 2-O-beta-D-glucopyranoside | HMDB: HMDB0040601 |
| C15H22O9 | 346.12638 | -0.373 | Di-O-methylcrenatin | HMDB: HMDB0032742 |
| C15H22O9 | 346.12638 | -0.373 | 6beta-Hydroxyantirrhide | KNApSAcK: C00035959 |
| C15H22O9 | 346.12638 | -0.373 | Deutzioside | KEGG: C11671 KNApSAcK: C00010613 LipidMAPS: LMPR0102070036 |
| C15H22O9 | 346.12638 | -0.373 | Decaloside | KNApSAcK: C00010532 |
| C15H22O9 | 346.12638 | -0.373 | Aucubin | HMDB: HMDB0036562 KEGG: C09771 KNApSAcK: C00003073, C00036616 LipidMAPS: LMPR0102070006 |
| C15H22O9 | 346.12638 | -0.373 | Galiridoside | KNApSAcK: C00010480 |
| C15H22O9 | 346.12638 | -0.373 | Iridoid glycoside | KNApSAcK: C00037307 |
| C19H23N2SCl | 346.12705 | -2.296 | Chlorproethazine | HMDB: HMDB0250133 |
| C20H18N4S | 346.12522 | 2.992 | Nordercitin | KNApSAcK: C00028719 |
| C16H18O5N4 | 346.12772 | -4.237 | Acinetobactin | KNApSAcK: C00027801 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 347.13266 |
| Splash: splash10-000i-0926000000-7f423b468f39e2cef7df |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 185.16 | 878 | 162 | 1000 |
| 310.96 | 179 | 36 | 203 |
| 337.72 | 177 | 9 | 201 |
| 258.09 | 121 | 89 | 138 |
| 327.26 | 116 | 20 | 132 |
| 153.12 | 102 | 194 | 115 |
| 329.24 | 87 | 18 | 98 |
| 301.36 | 64 | 46 | 73 |
| 317.15 | 64 | 30 | 72 |
| 226.34 | 60 | 121 | 68 |
| 319.00 | 58 | 28 | 65 |
| 285.36 | 56 | 62 | 63 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.120 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Myricetin 3',4'-dimethyl ether |
| 0.120 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Syringetin |
| 0.120 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Viscidulin III |
| 0.077 | [Flavonol]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Inucrithmin |
| 0.077 | [Flavonol]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Myricetin 7,4'-dimethyl ether |
| 0.059 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Pterocarpan | 2,8-Dihydroxy-3,9,10-trimethoxypterocarpan |
| 0.050 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(2OH) | 2'-Hydroxychalcone | Hamilcone |
| 0.045 | [Flavanone]-A(1OH, 3OMe)-B(1OH) | Flavanone | 5,4'-Dihydroxy-6,7,8-trimethoxyflavanone |
| 0.045 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavanone | 5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone |
| 0.045 | [Flavanone]-A(2OH, 2OMe)-B(1OMe) | Flavanone | 5,6-Dihydroxy-7,8,4'-trimethoxyflavanone |
| 0.045 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone |
| 0.045 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-6,7,4'-trimethoxyflavanone |
| 0.045 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | Agestricin D |
| 0.045 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone |
| 0.045 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone |
| 0.037 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Spinacetin |
| 0.037 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Laciniatin |
| 0.037 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetagetin 7,3'-dimethyl ether |
| 0.037 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 3',8-dimethyl ether |
| 0.037 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 7,4'-dimethyl ether |
| 0.037 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Limocitrin |
| 0.037 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 8,4'-dimethyl ether |
| 0.037 | [Flavonol]-A(1OH, 2OMe)-B(2OH) | Flavonol | Eupatolitin |
| 0.037 | [Flavonol]-A(1OH, 2OMe)-B(2OH) | Flavonol | Zanthoxyl flavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(3OH) | Flavone | 5,3',4',5'-Tetrahydroxy-6,7-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-6,5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | Ganhuangenin |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',3'-Tetrahydroxy-8,6'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',5'-Tetrahydroxy-8,4'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-8,5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,6,2',6'-Tetrahydroxy-7,8-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | Leucanthogenin |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,6,3',4'-Tetrahydroxy-7,8-dimethoxyflavone |
| 0.000 | [Dihydrochalcone]-A(1OH, 4OMe)-B(none) | Dihydrochalcone | Dihydrokanakugiol |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Dihydrochalcone | 2',6'-Dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(2OH)-C(1(O-Acetyl)) | Dihydroflavonol | Taxifolin 3-O-acetate |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | Myricetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | Artemexitin |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(2OH, 1OMe) | Flavonol | Dumosol |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(3OH) | Flavonol | Alluaudiol |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | 5,7,4',5'-Tetrahydroxy-3,2'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | 5,7,2',5'-Tetrahydroxy-3,4'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Axillarin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Tomentin |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | 7,8,3',4'-Trihydroxy-3,5-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Gossypetin 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Gossypetin 3,8-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH, 1OMe)-B(1OH) | Flavonol | 5,7,8,4'-Tetrahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe, 2Methyl)-B(1OMe) | Flavan 3,4-diol | 3,4,7-Trihydroxy-5,4'-dimethoxy-6,8-dimethylflavan |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 1OMe)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Amorphaquinone |