ピーク情報
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リーフレタスグリーン
pos
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| Peak #8264 MN MID: SE198_S12_M90 |
| m/z: 333.09715, RT: 48.84, 強度: 1097770, ログ強度: 2.54, 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: (38 names) 3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone;Dihydrotricetin 7,3'-dimethyl ether;Dalparvin C;6-Hydroxy-1,2,3,7-tetramethoxyxanthone;(3S)-Secundiflorol H;Dulcisxanthone C;1-Hydroxy-2,3,4,5-tetramethoxy-xa... |
| DBごとのヒット数: ALL 30 KG 1 KN 29 |
| FlavonoidSearch最大スコア MS2: 0.143, 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 |
|---|---|---|---|---|
| C17H16O7 | 332.08960 | 0.802 | 3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone | FlavonoidViewer: FL4DA8NS0004 HMDB: HMDB0040482 KNApSAcK: C00008573 |
| C17H16O7 | 332.08960 | 0.802 | Dihydrotricetin 7,3'-dimethyl ether | FlavonoidViewer: FL2FCHNS0001 KNApSAcK: C00008344 LipidMAPS: LMPK12140591 |
| C17H16O7 | 332.08960 | 0.802 | 6-Hydroxy-1,2,3,7-tetramethoxyxanthone | KNApSAcK: C00050740 |
| C17H16O7 | 332.08960 | 0.802 | Dalparvin C | KNApSAcK: C00033752 |
| C17H16O7 | 332.08960 | 0.802 | (3S)-Secundiflorol H | KNApSAcK: C00018912, C00047625 |
| C17H16O7 | 332.08960 | 0.802 | Dulcisxanthone C | KNApSAcK: C00048935 |
| C17H16O7 | 332.08960 | 0.802 | Dihydrotricin | KNApSAcK: C00055800 |
| C17H16O7 | 332.08960 | 0.802 | Dulcisxanthone C | KNApSAcK: C00034836 |
| C17H16O7 | 332.08960 | 0.802 | (2R,3S)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone | FlavonoidViewer: FL4DCENS0001, FL4DCENS0002 HMDB: HMDB0037504 KNApSAcK: C00008582, C00014368 |
| C17H16O7 | 332.08960 | 0.802 | Dioclein | FlavonoidViewer: FL2FE8NS0006 KNApSAcK: C00014133 LipidMAPS: LMPK12140604 |
| C17H16O7 | 332.08960 | 0.802 | Artomunoflavanone | KNApSAcK: C00034930 |
| C17H16O7 | 332.08960 | 0.802 | Taxifolin 7,3'-dimethyl ether | FlavonoidViewer: FL4DCDNS0001 HMDB: HMDB0037503 KNApSAcK: C00008581 |
| C17H16O7 | 332.08960 | 0.802 | Sulochrin | KEGG: C00495 KNApSAcK: C00000572 |
| C17H16O7 | 332.08960 | 0.802 | Parvisoflavanone | FlavonoidViewer: FLIBALNS0006 KNApSAcK: C00009555 LipidMAPS: LMPK12050504 |
| C17H16O7 | 332.08960 | 0.802 | 5,2',5'-Trihydroxy-7,8-dimethoxyflavanone | FlavonoidViewer: FL2FF8NS0004 KNApSAcK: C00008411 LipidMAPS: LMPK12140646 |
| C17H16O7 | 332.08960 | 0.802 | 3'-Deoxydryopteric acid | FlavonoidViewer: FL63AANM0001 KNApSAcK: C00009316 LipidMAPS: LMPK12020034 |
| C17H16O7 | 332.08960 | 0.802 | Deoxyerythrostominone | KNApSAcK: C00038988 |
| C17H16O7 | 332.08960 | 0.802 | Lespedol E | KNApSAcK: C00018873 |
| C17H16O7 | 332.08960 | 0.802 | Drimiopsin B | KNApSAcK: C00043466 |
| C17H16O7 | 332.08960 | 0.802 | 3,5,4'-Trihydroxy-6,7-dimethoxyflavanone | FlavonoidViewer: FL4DEANS0003 KNApSAcK: C00008565 |
| C17H16O7 | 332.08960 | 0.802 | Morintrifolin A | KNApSAcK: C00039795 |
| C17H16O7 | 332.08960 | 0.802 | 5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone | FlavonoidViewer: FL2FFCNS0001 KNApSAcK: C00008306 LipidMAPS: LMPK12140672 |
| C17H16O7 | 332.08960 | 0.802 | 3,5,2'-Trihydroxy-7,8-dimethoxyflavanone | FlavonoidViewer: FL4DF8NS0001 KNApSAcK: C00008567 |
| C17H16O7 | 332.08960 | 0.802 | Dalparvinol C | KNApSAcK: C00033753 |
| C17H16O7 | 332.08960 | 0.802 | 3,5,3'-Trihydroxy-7,2'-dimethoxyflavanone | FlavonoidViewer: FL4DA8NS0007 KNApSAcK: C00014367 |
| C17H16O7 | 332.08960 | 0.802 | 3,5,7-Trihydroxy-8,4'-dimethoxyflavanone | FlavonoidViewer: FL4DFANS0002 KNApSAcK: C00008569 |
| C17H16O7 | 332.08960 | 0.802 | 3,5,7-Trihydroxy-6,4'-dimethoxyflavanone | FlavonoidViewer: FL4DEANS0004 HMDB: HMDB0040320 KNApSAcK: C00008566 |
| C17H16O7 | 332.08960 | 0.802 | Kushecarpin C | KNApSAcK: C00019180 |
| C17H16O7 | 332.08960 | 0.802 | 1-Hydroxy-2,3,4,7-tetramethoxy-xanthone | KNApSAcK: C00048936 |
| C17H16O7 | 332.08960 | 0.802 | Dalparvin A | KNApSAcK: C00033750 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 333.09647 |
| Splash: splash10-0006-0090000000-d969da05aadfa720875e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 243.08 | 509774 | 90 | 1000 |
| 197.07 | 56649 | 136 | 111 |
| 215.12 | 40523 | 118 | 79 |
| 225.07 | 37907 | 108 | 74 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.143 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe) | Dihydroflavonol | 3,5,7-Trihydroxy-6,4'-dimethoxyflavanone |
| 0.143 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe) | Dihydroflavonol | 3,5,7-Trihydroxy-8,4'-dimethoxyflavanone |
| 0.143 | [Dihydroflavonol]-A(1OH, 2OMe)-B(1OH) | Dihydroflavonol | 3,5,4'-Trihydroxy-6,7-dimethoxyflavanone |
| 0.143 | [Dihydroflavonol]-A(1OH, 2OMe)-B(1OH) | Dihydroflavonol | 3,5,2'-Trihydroxy-7,8-dimethoxyflavanone |
| 0.125 | [Isoflavan]-A(1OH)-B(1OH, 3OMe) | Isoflavan | Lonchocarpan |
| 0.071 | [Flavanone]-A(1OH, 2OMe)-B(2OH) | Flavanone | Dioclein |
| 0.071 | [Flavanone]-A(1OH, 2OMe)-B(2OH) | Flavanone | 5,2',5'-Trihydroxy-7,8-dimethoxyflavanone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(3OH) | Flavone | 3',4',5'-Trihydroxywogonin |
| 0.000 | [Flavone]-A(3OH, 1OMe)-B(2OH) | Flavone | 5,7,8,3',4'-Pentahydroxy-6-methoxyflavone |
| 0.000 | [Flavone]-A(3OH, 1OMe)-B(2OH) | Flavone | 5,6,7,3',4'-Pentahydroxy-8-methoxyflavone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 7,3'-dimethyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 7,4'-dimethyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,3'-Trihydroxy-7,2'-dimethoxyflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavanone | Dihydrotricetin 7,3'-dimethyl ether |
| 0.000 | [Flavanone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 2OMe) | Flavanone | 7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 2OMe) | Flavanone | 5,7,4'-Trihydroxy-3',5'-dimethoxyflavanone |
| 0.000 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Isoflavan | Duartin |
| 0.000 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Isoflavan | Isoduartin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe) | Dihydrochalcone | 2',4'-Dihydroxy-3,4,6'-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe) | Dihydrochalcone | 2',6'-Dihydroxy-3,4,4'-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 3OMe)-B(none) | Dihydrochalcone | Dihydropedicin |
| 0.000 | [Dihydrochalcone]-A(2OH, 3OMe)-B(none) | Dihydrochalcone | 3',5'-Dihydroxy-2',4',6'-trimethoxydihydrochalcone |
| 0.000 | [Flavonol]-A(1OH, 1OMe)-B(3OH) | Flavonol | Myricetin 5-methyl ether |
| 0.000 | [Flavonol]-A(1OH, 1OMe)-B(3OH) | Flavonol | Europetin |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Allopatuletin |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Patuletin |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Quercetagetin 7-methyl ether |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Ranupetin |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Corniculatusin |
| 0.000 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3'-methyl ether |
| 0.000 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 4'-methyl ether |
| 0.000 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Haplogenin |
| 0.000 | [Flavonol]-A(2OH)-B(2OH, 1OMe) | Flavonol | Laricitrin |
| 0.000 | [Flavonol]-A(2OH)-B(2OH, 1OMe) | Flavonol | Mearnsetin |
| 0.000 | [Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,7,3'-trimethyl ether |
| 0.000 | [Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,7,4'-trimethyl ether |
| 0.000 | [Isoflavanone]-A(2OH)-B(1OH, 2OMe) | Isoflavanone | Parvisoflavanone |
| 0.000 | [CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone]-A(2OH)-B(2OH) | CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone | Crombenin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(3OH) | Flavonol | Annulatin |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(3OH) | Flavonol | Pinomyricetin |
| 0.000 | [Flavonol]-A(2OH)-B(3OH, 1Methyl) | Flavonol | 2'-C-Methylmyricetin |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(2OH) | Flavonol | Quercetagetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(2OH) | Flavonol | Gossypetin 3-methyl ether |
| 0.000 | [4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(none) | 4-substituted Flavan 3-ol | 3'-Deoxydryopteric acid |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OMe) | Flavan 4-ol | 4,5,7-Trihydroxy-4'-methoxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [Flavan 3,4-diol]-A(1OMe)-B(2OMe) | Flavan 3,4-diol | Fisetinidol-4beta-ol 7,3',4'-trimethyl ether |
| Level: 3, プリカーサーm/z: 243.04163 |
| Splash: splash10-016r-0790000000-2fc0bc21e23910363cb5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 215.04 | 67695 | 28 | 1000 |
| 225.13 | 40600 | 18 | 599 |
| 197.09 | 37582 | 46 | 555 |
| 186.98 | 20419 | 56 | 301 |
| 201.10 | 11670 | 42 | 172 |
| 169.00 | 8557 | 74 | 126 |
| 172.95 | 8316 | 70 | 122 |
| 159.05 | 6572 | 84 | 97 |
| 179.07 | 5492 | 64 | 81 |
| 147.05 | 5114 | 96 | 75 |
| 145.07 | 5024 | 98 | 74 |
| 199.01 | 3810 | 44 | 56 |
| 213.11 | 3559 | 30 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Isoflavan]-A(1OH)-B(1OH) | Isoflavan | Equol |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(none) | Dihydrochalcone | 2',4'-Dihydroxydihydrochalcone |
| 0.000 | [Flavan]-A(1OH)-B(1OH) | Flavan | 7,4'-Dihydroxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(none) | Flavan | 5,7-Dihydroxyflavan |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(2OH) | 2-Phenylbenzofuran | 6,2',4'-Trihydroxy-2-phenylbenzofuran |