ピーク情報
|
リーフレタスグリーン
pos
|
| Peak #12330 MN MID: SE198_S12_M90 |
| m/z: 327.15950, RT: 95.37, 強度: 3921, ログ強度: 0.10, 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: (40 names) (+)-Acutifolin A;Acutifolin A;(1R,5R,8R)-rel-(+)-5-Hydroxy-8-(4-hydroxyphenyl)-1-(3-methyl-2-butenyl)bicyclo[3.3.1]non-3-ene-2,9-dione;Otobaphenol;1,2-Dihydrodehydroguaiaretic acid;2',6'-Dihydroxy-4'-... |
| DBごとのヒット数: ALL 33 KG 5 KN 23 HM 5 |
| FlavonoidSearch最大スコア MS2: -, MS3: - |
|
安定同位体ラベル実験で見積もられた原子数:
N: 0
S: 0
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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 |
|---|---|---|---|---|
| C20H22O4 | 326.15181 | 1.255 | (+)-Acutifolin A | FlavonoidViewer: FL6FUNNI0001 KNApSAcK: C00013248 LipidMAPS: LMPK12020281 |
| C20H22O4 | 326.15181 | 1.255 | Otobaphenol | KNApSAcK: C00030902 |
| C20H22O4 | 326.15181 | 1.255 | 1,2-Dihydrodehydroguaiaretic acid | KNApSAcK: C00054735 |
| C20H22O4 | 326.15181 | 1.255 | 2',6'-Dihydroxy-4'-prenyloxydihydrochalcone | FlavonoidViewer: FL1DA9NI0003 KNApSAcK: C00008006 LipidMAPS: LMPK12120484 |
| C20H22O4 | 326.15181 | 1.255 | 5,5-Diisopropyl-2,2'-dimethylbiphenyl-3,3',4,4'-tetrone | HMDB: HMDB0040762 |
| C20H22O4 | 326.15181 | 1.255 | 4-[10-Oxo-neryloxy]-5-methylcoumarin | KNApSAcK: C00019992, C00019993 |
| C20H22O4 | 326.15181 | 1.255 | Picealactone C | KNApSAcK: C00031026 |
| C20H22O4 | 326.15181 | 1.255 | Pulverochromenol | KEGG: C09031 KNApSAcK: C00002443 |
| C20H22O4 | 326.15181 | 1.255 | 1,2-Dihydrodehydroguaiaretic acid | HMDB: HMDB0036409 |
| C20H22O4 | 326.15181 | 1.255 | Broussinol | FlavonoidViewer: FL631ANI0001 KNApSAcK: C00008911 LipidMAPS: LMPK12020005 |
| C20H22O4 | 326.15181 | 1.255 | Limbatenolide E | KNApSAcK: C00030661 |
| C20H22O4 | 326.15181 | 1.255 | (+)-Galeon | HMDB: HMDB0031534 |
| C20H22O4 | 326.15181 | 1.255 | Manuifolin K | KNApSAcK: C00018887 |
| C20H22O4 | 326.15181 | 1.255 | Dehydrodieugenol | KEGG: C10550 KNApSAcK: C00002592 |
| C20H22O4 | 326.15181 | 1.255 | 4-[5,10-Epoxygeranyloxy]-5-methyl coumarin | KNApSAcK: C00019866 |
| C20H22O4 | 326.15181 | 1.255 | Limbatenolide D | KNApSAcK: C00030660 |
| C20H22O4 | 326.15181 | 1.255 | 2-Carboxy-3,5-dihydroxy-4-(3-methyl-2-butenyl)bibenzyl | KNApSAcK: C00015266 |
| C20H22O4 | 326.15181 | 1.255 | Picealactone B | KNApSAcK: C00031025 |
| C20H22O4 | 326.15181 | 1.255 | Gingerenone C | HMDB: HMDB0034720 |
| C20H22O4 | 326.15181 | 1.255 | Manuifolin H | KNApSAcK: C00018889 |
| C20H22O4 | 326.15181 | 1.255 | Dehydrodiisoeugenol | HMDB: HMDB0250949 KEGG: C10650 KNApSAcK: C00002611, C00047038 |
| C20H22O4 | 326.15181 | 1.255 | Preracemosol B | KNApSAcK: C00037682 |
| C20H22O4 | 326.15181 | 1.255 | Trigonostemone | KNApSAcK: C00040560 |
| C20H22O4 | 326.15181 | 1.255 | Uncinatone | KEGG: C09976 KNApSAcK: C00003021 |
| C20H22O4 | 326.15181 | 1.255 | Neomillinol | KNApSAcK: C00019494 |
| C20H22O4 | 326.15181 | 1.255 | Dentatin | HMDB: HMDB0302556 KNApSAcK: C00030116 |
| C20H22O4 | 326.15181 | 1.255 | (R)-(+)-Millinol | KNApSAcK: C00020654 |
| C20H22O4 | 326.15181 | 1.255 | 2',4',6'-Trihydroxy-3'-prenyldihydrochalcone | FlavonoidViewer: FL1DA9NI0001 KNApSAcK: C00008003 LipidMAPS: LMPK12120482 |
| C20H22O4 | 326.15181 | 1.255 | Machilin A | KNApSAcK: C00051391 |
| C20H22O4 | 326.15181 | 1.255 | Cyclomillinol | FlavonoidViewer: FLIC1LNF0002 KNApSAcK: C00010034 LipidMAPS: LMPK12080006 |
| C20H22O4 | 326.15181 | 1.255 | 8-(3,3-Dimethylallyl)spatheliachromene | KEGG: C09002 KNApSAcK: C00002423 |
| C20H22O4 | 326.15181 | 1.255 | 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione | HMDB: HMDB0033710 |
| C20H22O4 | 326.15181 | 1.255 | Spiranthol C | KNApSAcK: C00015879 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 327.15927 |
| Splash: splash10-0a4i-0029000000-17376f50c6efa362d9a5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 309.20 | 3353 | 18 | 1000 |
| 213.07 | 356 | 114 | 106 |
| 96.98 | 315 | 230 | 94 |
| 249.14 | 277 | 78 | 82 |
| 227.10 | 252 | 100 | 75 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(none) | Dihydrochalcone | 2',4',6'-Trihydroxy-3'-prenyldihydrochalcone |
| 0.000 | [Flavone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | Millettocalyxin A |
| 0.000 | [Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavone | Milletenin C |
| 0.000 | [Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 7,8-Dimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OMe) | Flavone | Eucalyptin |
| 0.000 | [Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 5,7-Dimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Demethoxykanugin |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(none) | Flavonol | 3,5-Dimethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavan 3-ol]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavan 3-ol | Broussinol |
| 0.000 | [Isoflavone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Cuneatin methyl ether |
| 0.000 | [Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Fujikinetin methyl ether |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | 3',4'-Dimethoxy-6,7-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | Maximaisoflavone D |
| 0.000 | [Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | 7,8-Dimethoxy-3',4'-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Derrustone |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Isoflavone | Tlatlancuayin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Isoflavone | Irisolone methyl ether |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(2OH) | Isoflavan | Cyclomillinol |
| 0.000 | [Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Coumestan | 2-Hydroxyflemichapparin C |
| 0.000 | [Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Coumestan | Tephrosol |
| 0.000 | [Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Coumestan | Sophoracoumestan B |
| 0.000 | [6-Hydroxydehydrorotenone (6-OMe)]-A(2OH, 1Methyl)-B(none) | 6-Hydroxydehydrorotenone | Boeravinone A |
| 0.000 | [4-phenylcoumarin]-A(2OMe)-B(1([@@]-Methylenedioxy)) | 4-phenylcoumarin | 5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin |