ピーク情報
|
イネ 葉 ニッポンバレ
pos
|
| Peak #3278 MN MID: SE199_S41_M90 |
| m/z: 387.14412, RT: 43.29, 強度: 12480, ログ強度: 0.50, 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: (45 names) Isosamidin;Pteryxin;Magnolone;(-)-Magnolone;Topazolin hydrate;5,7-Dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-3-methoxy-4H-1-benzopyran-4-one;Secundifloran;Icaritin;Edultin;Samidin;1,3,6... |
| DBごとのヒット数: ALL 36 KG 6 KN 28 HM 1 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.095, 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 |
|---|---|---|---|---|
| C21H22O7 | 386.13655 | 0.755 | Isosamidin | KEGG: C09270 KNApSAcK: C00002478 |
| C21H22O7 | 386.13655 | 0.755 | Pteryxin | KEGG: C09307 KNApSAcK: C00002494, C00019998, C00019999 |
| C21H22O7 | 386.13655 | 0.755 | Magnolone | KNApSAcK: C00031994 |
| C21H22O7 | 386.13655 | 0.755 | Topazolin hydrate | FlavonoidViewer: FL5FDANI0003 KNApSAcK: C00004997 LipidMAPS: LMPK12112683 |
| C21H22O7 | 386.13655 | 0.755 | Secundifloran | FlavonoidViewer: FLIBHXNI0001 KNApSAcK: C00009552 LipidMAPS: LMPK12050507 |
| C21H22O7 | 386.13655 | 0.755 | Icaritin | FlavonoidViewer: FL5FABNI0002 HMDB: HMDB0257872 KNApSAcK: C00005118 LipidMAPS: LMPK12110561 |
| C21H22O7 | 386.13655 | 0.755 | Cnidimin | HMDB: HMDB0030601 KNApSAcK: C00054540 |
| C21H22O7 | 386.13655 | 0.755 | Samidin | KEGG: C09310 KNApSAcK: C00002497 |
| C21H22O7 | 386.13655 | 0.755 | 1,3,6,8-tetrahydroxy-2-[(1S)-1-methoxyhexyl]-9,10-anthracenedione | LipidMAPS: LMPK13040036 |
| C21H22O7 | 386.13655 | 0.755 | Bafoudiosbulbin C | KNApSAcK: C00033663 |
| C21H22O7 | 386.13655 | 0.755 | (-)-5'-Demethylyatein | KEGG: C21184 |
| C21H22O7 | 386.13655 | 0.755 | Annulin B | KNApSAcK: C00041346 |
| C21H22O7 | 386.13655 | 0.755 | (-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone | KNApSAcK: C00034967 |
| C21H22O7 | 386.13655 | 0.755 | Kenusanone F | KNApSAcK: C00019644 |
| C21H22O7 | 386.13655 | 0.755 | Brevipolide F | KNApSAcK: C00047408 |
| C21H22O7 | 386.13655 | 0.755 | 1,5-Dihydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4,6-heptadien-3-one | HMDB: HMDB0040355 KNApSAcK: C00055412 |
| C21H22O7 | 386.13655 | 0.755 | (-)-5-Methoxybalanophonin | KNApSAcK: C00038044 |
| C21H22O7 | 386.13655 | 0.755 | Kenusanone D | FlavonoidViewer: FL2FALNI0016 KNApSAcK: C00008502 LipidMAPS: LMPK12140477 |
| C21H22O7 | 386.13655 | 0.755 | Pinophilin A | KNApSAcK: C00053687 |
| C21H22O7 | 386.13655 | 0.755 | 4'-Hydroxychalcone 4'-glucoside | FlavonoidViewer: FL1C99GS0001 KNApSAcK: C00007181 LipidMAPS: LMPK12120187 |
| C21H22O7 | 386.13655 | 0.755 | Kushenol V | FlavonoidViewer: FL2FALNI0030 KNApSAcK: C00014169 LipidMAPS: LMPK12140491 |
| C21H22O7 | 386.13655 | 0.755 | (3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone | KNApSAcK: C00018957 |
| C21H22O7 | 386.13655 | 0.755 | 2-(4-Ethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one | KEGG: C14948 |
| C21H22O7 | 386.13655 | 0.755 | 6,7-Demethylenedeoxypodophyllotoxin | KNApSAcK: C00052749 |
| C21H22O7 | 386.13655 | 0.755 | Crotozambefuran C | KNApSAcK: C00036945 |
| C21H22O7 | 386.13655 | 0.755 | Isopteryxin | HMDB: HMDB0242259 KNApSAcK: C00019856, C00031910 |
| C21H22O7 | 386.13655 | 0.755 | (3S)-3,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone | KNApSAcK: C00018959 |
| C21H22O7 | 386.13655 | 0.755 | 3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone | FlavonoidViewer: FL4DADNI0001 KNApSAcK: C00008640 |
| C21H22O7 | 386.13655 | 0.755 | (R)-Heraclenol 2'-(3-methyl-2-butenoate) | HMDB: HMDB0039058 |
| C21H22O7 | 386.13655 | 0.755 | Comazaphilone D | KNApSAcK: C00052940 |
| C21H22O7 | 386.13655 | 0.755 | Kushenol W | FlavonoidViewer: FL2FALNI0031 KNApSAcK: C00014170 LipidMAPS: LMPK12140492 |
| C21H22O7 | 386.13655 | 0.755 | Xylobuxin | HMDB: HMDB0034629 KNApSAcK: C00053900 |
| C21H22O7 | 386.13655 | 0.755 | Kwakhurin hydrate | FlavonoidViewer: FLIA1LNI0003 KNApSAcK: C00009870 LipidMAPS: LMPK12050070 |
| C21H22O7 | 386.13655 | 0.755 | Peucenidin | KEGG: C09284 KNApSAcK: C00002492 |
| C21H22O7 | 386.13655 | 0.755 | Ebenfuran V | KNApSAcK: C00039081 |
| C21H22O7 | 386.13655 | 0.755 | Omphamurrayin | KNApSAcK: C00033267 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 387.14374 |
| Splash: splash10-0a4i-0319000000-7939d4b166fe73066919 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 357.13 | 16395 | 30 | 1000 |
| 167.09 | 3462 | 220 | 211 |
| 137.04 | 3247 | 250 | 198 |
| 369.21 | 1573 | 18 | 95 |
| 235.05 | 1351 | 152 | 82 |
| 203.08 | 1255 | 184 | 76 |
| 181.09 | 1078 | 206 | 65 |
| 205.09 | 857 | 182 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.095 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe) | Flavanone | Kushenol V |
| 0.095 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe) | Flavanone | Kushenol W |
| 0.095 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe) | Flavanone | Kenusanone D |
| 0.053 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none) | 2'-Hydroxychalcone | 8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none) | Flavanone | Calomelanol J |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methylbutadienyl))-B(none) | Flavone | Fulvinervin B |
| 0.000 | [Flavone]-A(3OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | 5,6,7,3'-Tetramethoxy-4',5'-methylenedioxyflavone |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(3OMe) | Flavone | 5,3',4',5'-Tetramethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(1([@@]-Methylenedioxy)) | Flavone | Linderoflavone B |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Flavonol | Topazolin hydrate |
| 0.000 | [Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OMe) | Flavonol | Icaritin |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Melisimplexin |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Meliternin |
| 0.000 | [Flavan 3,4-diol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavan 3,4-diol | 3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol |
| 0.000 | [Flavan 3,4-diol (4-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavan 3,4-diol | 4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol |
| 0.000 | [Isoflavone]-A(1OH)-B(2OH, 1OMe, 1(3-hydroxy-3-methylbutyl)) | Isoflavone | Kwakhurin hydrate |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(3OMe) | Isoflavone | Irisflorentin |
| 0.000 | [Isoflavone]-A(4OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | 5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone |
| 0.000 | [Isoflavanone-3-ol]-A(1OH)-B(2OH, 1OMe, 1(1,1-Dimethylallyl)) | Isoflavanone-3-ol | Secundifloran |