ピーク情報
|
シロイヌナズナ 地上部
pos
|
| Peak #787 MN MID: SE200_S1_M90 |
| m/z: 399.14450, RT: 11.78, 強度: 18670, ログ強度: 0.65, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 8 |
| DB検索結果: (39 names) (2S)-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-methylsulfanylbutanoic acid;S-Adenosylmethionine;Isorhynchospermin;5,3',4'-Trihydroxy-3,7-dimethoxy-6-prenylflavone... |
| DBごとのヒット数: ALL 34 KG 2 KN 27 HM 4 LM 1 |
| FlavonoidSearch最大スコア MS2: -, 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 |
|---|---|---|---|---|
| C15H22O5N6S | 398.13724 | -0.029 | (2S)-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-methylsulfanylbutanoic acid | HMDB: HMDB0257770 |
| C15H22O5N6S | 398.13724 | -0.029 | S-Adenosyl-L-methionine | HMDB: [1]HMDB0001185 KEGG: C00019, C22529 KNApSAcK: C00007347 |
| C22H22O7 | 398.13655 | 1.694 | Isorhynchospermin | FlavonoidViewer: FL5FCENI0002 KNApSAcK: C00005115 LipidMAPS: LMPK12112651 |
| C22H22O7 | 398.13655 | 1.694 | 5,3',4'-Trihydroxy-3,7-dimethoxy-6-prenylflavone | FlavonoidViewer: FL5FDCNI0001 KNApSAcK: C00005014 LipidMAPS: LMPK12112718 |
| C22H22O7 | 398.13655 | 1.694 | 5'-Methoxycurcumin | HMDB: HMDB0038921 |
| C22H22O7 | 398.13655 | 1.694 | Neoboutonin | KNApSAcK: C00036126, C00036171 |
| C22H22O7 | 398.13655 | 1.694 | Artoindonesianin R | FlavonoidViewer: FL3FALNI0022 KNApSAcK: C00013423 LipidMAPS: LMPK12110911 |
| C22H22O7 | 398.13655 | 1.694 | (R)-(+)-Ligulaodonin A | KNApSAcK: C00029342 |
| C22H22O7 | 398.13655 | 1.694 | Terrestrol A | KNApSAcK: C00040464 |
| C22H22O7 | 398.13655 | 1.694 | 5,7-Dihydroxy-3,8-dimethoxy-4'-prenyloxyflavone | FlavonoidViewer: FL5FFANI0002 KNApSAcK: C00005006 LipidMAPS: LMPK12113144 |
| C22H22O7 | 398.13655 | 1.694 | Hoslunddiol | FlavonoidViewer: FL3FA9CS0003 KNApSAcK: C00006416 LipidMAPS: LMPK12110140 |
| C22H22O7 | 398.13655 | 1.694 | 2'-Hydroxypiscerythrinetin | FlavonoidViewer: FLIAALNI0010 KNApSAcK: C00009881 LipidMAPS: LMPK12050295 |
| C22H22O7 | 398.13655 | 1.694 | 1,3-dimethoxy-8,9-dihydroxy-2-prenylcoumestan | LipidMAPS: LMPK12090049 |
| C22H22O7 | 398.13655 | 1.694 | 5,7-Dihydroxy-3-methoxy-2-[3-methoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-4H-1-benzopyran-4-one | FlavonoidViewer: FL5FDDNI0006 KNApSAcK: C00013526 LipidMAPS: LMPK12112746 |
| C22H22O7 | 398.13655 | 1.694 | Ebenfuran VIII | KNApSAcK: C00039083 |
| C22H22O7 | 398.13655 | 1.694 | Monomethyldihydromitorubrin | KNApSAcK: C00049005 |
| C22H22O7 | 398.13655 | 1.694 | Brandisianin A | KNApSAcK: C00038630 |
| C22H22O7 | 398.13655 | 1.694 | Brandisianin C | KNApSAcK: C00038632 |
| C22H22O7 | 398.13655 | 1.694 | Viridiflorin | FlavonoidViewer: FLIAALNI0007 KNApSAcK: C00009835 LipidMAPS: LMPK12050292 |
| C22H22O7 | 398.13655 | 1.694 | 3'-Angeloyloxy-4',6'-dihydroxy-2',5'-dimethoxychalcone | FlavonoidViewer: FL1CG9NI0001 KNApSAcK: C00007117 LipidMAPS: LMPK12120356 |
| C22H22O7 | 398.13655 | 1.694 | 5,4'-Dihydroxy-3,3'-dimethoxy-7-prenyloxyflavone | FlavonoidViewer: FL5FDDNI0003 KNApSAcK: C00005008 LipidMAPS: LMPK12112743 |
| C22H22O7 | 398.13655 | 1.694 | Gnaphaliin 7-epoxymethylbutyl ether | FlavonoidViewer: FL5FF9NI0004 KNApSAcK: C00004989 LipidMAPS: LMPK12113079 |
| C22H22O7 | 398.13655 | 1.694 | Dulxanthone E | HMDB: HMDB0034030 KNApSAcK: C00039053 |
| C22H22O7 | 398.13655 | 1.694 | Pyramidatin H | KNApSAcK: C00037707 |
| C22H22O7 | 398.13655 | 1.694 | Rhynchospermin | FlavonoidViewer: FL5FCENI0001 KNApSAcK: C00005026 LipidMAPS: LMPK12112650 |
| C22H22O7 | 398.13655 | 1.694 | Artoindonesianin Q | FlavonoidViewer: FL3FALNI0021 KNApSAcK: C00013422 LipidMAPS: LMPK12110910 |
| C22H22O7 | 398.13655 | 1.694 | 5,7-Dihydroxy-3,6-dimethoxy-4'-prenyloxyflavone | FlavonoidViewer: FL5FEANI0002 KNApSAcK: C00004999 LipidMAPS: LMPK12112853 |
| C22H22O7 | 398.13655 | 1.694 | Deoxypodophyllotoxin | HMDB: HMDB0242210 KEGG: C10556 KNApSAcK: C00002597, C00043449, C00050865 |
| C22H22O7 | 398.13655 | 1.694 | 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one | FlavonoidViewer: FL5FDENI0001 KNApSAcK: C00013527 LipidMAPS: LMPK12112760 |
| C22H22O7 | 398.13655 | 1.694 | 5,7,4'-Trihydroxy-3,8-dimethoxy-6-prenylflavone | FlavonoidViewer: FL5FFANI0004 KNApSAcK: C00005011 LipidMAPS: LMPK12113146 |
| C22H22O7 | 398.13655 | 1.694 | Piscerynetin | KNApSAcK: C00019618 |
| C22H22O7 | 398.13655 | 1.694 | Baohuosu | FlavonoidViewer: FL3FAINI0001 KNApSAcK: C00004040 LipidMAPS: LMPK12110871 |
| C20H19O4N4F | 398.13903 | -4.536 | Finafloxacin | HMDB: HMDB0252260 |
| C26H24P2 | 398.13533 | 4.774 | 1,2-Bis(diphenylphosphino)ethane | HMDB: HMDB0244059 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 399.14444 |
| Splash: splash10-0udi-0090000000-08b7c3a89f7f3334cfab |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 250.07 | 83921 | 149 | 1000 |
| 298.14 | 31158 | 101 | 371 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Isoflavone]-A(2OH)-B(1OH, 2OMe, 1(C-Prenyl)) | Isoflavone | 2'-Hydroxypiscerythrinetin |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 2OMe) | Isoflavone | Viridiflorin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | Isorhynchospermin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | Rhynchospermin |
| 0.000 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 2OMe) | Flavone | Baohuosu |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(4,5-Dihydroxy-6-methyltetrahydropyran-2-yl))-B(none) | Flavone | Hoslunddiol |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe)-B(2OH, 1OMe) | 3-substituted Flavone | Artoindonesianin Q |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 2OMe) | 3-substituted Flavone | Artoindonesianin R |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Dihydroflavonol | 3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2'',3'':7,8]flavanone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | Flavonol | 5,3',4'-Trihydroxy-3,7-dimethoxy-6-prenylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavonol | 5,7,4'-Trihydroxy-3,8-dimethoxy-6-prenylflavone |
| 0.000 | [Flavan 3,4-diol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavan 3,4-diol | 3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan |
| 0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(1OH, 2OMe) | CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin | 5-Carboxypyranomalvidin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OMe)-B(2OMe, 1(C-Prenyl)) | Pterocarpan-6a-ol | Sphenostylin A |