ピーク情報
|
イネ 葉 ニッポンバレ
pos
|
| Peak #7427 MN MID: SE199_S41_M90 |
| m/z: 323.12777, RT: 80.41, 強度: 2471, ログ強度: -0.20, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (49 names) Shinpterocarpin;7-Hydroxy-4'-prenyloxyisoflavone;Lespecyrtin B2;(+)-Lespecyrtin B2;Barbacarpan;Sterekunthal B;4-Hydroxylonchocarpin;5,7-Dihydroxy-8-prenylflavone;Sterequinone G;2,3-Dihydro-4-(4-methox... |
| DBごとのヒット数: ALL 42 KG 5 KN 34 HM 3 |
| FlavonoidSearch最大スコア MS2: 0.118, 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 |
|---|---|---|---|---|
| C20H18O4 | 322.12051 | -0.045 | Nordurlettone | FlavonoidViewer: FLIA1ANI0004 KNApSAcK: C00009843 LipidMAPS: LMPK12050030 |
| C20H18O4 | 322.12051 | -0.045 | Shinpterocarpin | HMDB: HMDB0041167 KNApSAcK: C00018979 |
| C20H18O4 | 322.12051 | -0.045 | Lespecyrtin B2 | KNApSAcK: C00047269 |
| C20H18O4 | 322.12051 | -0.045 | Barbacarpan | KNApSAcK: C00018879 |
| C20H18O4 | 322.12051 | -0.045 | 4-Hydroxylonchocarpin | FlavonoidViewer: FL1C1ANP0002 KNApSAcK: C00007061, C00036580 LipidMAPS: LMPK12120077 |
| C20H18O4 | 322.12051 | -0.045 | Sterekunthal B | KNApSAcK: C00037843 |
| C20H18O4 | 322.12051 | -0.045 | 5,7-Dihydroxy-8-prenylflavone | FlavonoidViewer: FL3FA9NI0001 KEGG: C11325 KNApSAcK: C00004011 LipidMAPS: LMPK12110166 |
| C20H18O4 | 322.12051 | -0.045 | Sterequinone G | KNApSAcK: C00043031 |
| C20H18O4 | 322.12051 | -0.045 | Obovatin | FlavonoidViewer: FL2FA9NP0003 KNApSAcK: C00008431 LipidMAPS: LMPK12140208 |
| C20H18O4 | 322.12051 | -0.045 | 2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol | HMDB: HMDB0041399 KNApSAcK: C00054887 |
| C20H18O4 | 322.12051 | -0.045 | Erypoegin H | KNApSAcK: C00018962 |
| C20H18O4 | 322.12051 | -0.045 | Abyssinone I | FlavonoidViewer: FL2F1ANP0001 KEGG: C09318 LipidMAPS: LMPK12140050 |
| C20H18O4 | 322.12051 | -0.045 | 3-Hydroxyisolonchocarpin | FlavonoidViewer: FL4D19NP0001 KNApSAcK: C00008606 |
| C20H18O4 | 322.12051 | -0.045 | Inflacoumarin A | KNApSAcK: C00050825 |
| C20H18O4 | 322.12051 | -0.045 | Licoflavone A | FlavonoidViewer: FL3F1ANI0004 KNApSAcK: C00013403 LipidMAPS: LMPK12110032 |
| C20H18O4 | 322.12051 | -0.045 | Glabrene | HMDB: HMDB0029530 |
| C20H18O4 | 322.12051 | -0.045 | 4'-Hydroxyisolonchocarpin | FlavonoidViewer: FL2F1CNP0002 KNApSAcK: C00008399 LipidMAPS: LMPK12140073 |
| C20H18O4 | 322.12051 | -0.045 | Munsericin | FlavonoidViewer: FL1CRTNP0002 KNApSAcK: C00007058 LipidMAPS: LMPK12120429 |
| C20H18O4 | 322.12051 | -0.045 | Anthrasesamone B | KNApSAcK: C00036038 |
| C20H18O4 | 322.12051 | -0.045 | Glabrene | FlavonoidViewer: FLICWXNP0001 KNApSAcK: C00009755 LipidMAPS: LMPK12080060 |
| C20H18O4 | 322.12051 | -0.045 | Flemichapparin A | FlavonoidViewer: FL1C29NP0001 KNApSAcK: C00007077 LipidMAPS: LMPK12120134 |
| C20H18O4 | 322.12051 | -0.045 | 7,4'-Dihydroxy-8-prenylflavone | FlavonoidViewer: FL3F1ANI0005 KNApSAcK: C00013404 LipidMAPS: LMPK12110033 |
| C20H18O4 | 322.12051 | -0.045 | Neobavaisoflavone | FlavonoidViewer: FLIA1ANI0001 HMDB: HMDB0255518 KNApSAcK: C00009432 LipidMAPS: LMPK12050027 |
| C20H18O4 | 322.12051 | -0.045 | 6-(3,3-Dimethylallyl)chrysin | KEGG: C11324 |
| C20H18O4 | 322.12051 | -0.045 | Pyranocoumarin | HMDB: HMDB0256942 |
| C20H18O4 | 322.12051 | -0.045 | 3,4-Didehydroglabridin | KNApSAcK: C00035925 |
| C20H18O4 | 322.12051 | -0.045 | Kanzonol D | FlavonoidViewer: FL3F1ANI0002 KNApSAcK: C00004091 LipidMAPS: LMPK12110030 |
| C20H18O4 | 322.12051 | -0.045 | Kanzonol B | FlavonoidViewer: FL1C1ANP0001 KNApSAcK: C00007059 LipidMAPS: LMPK12120076 |
| C20H18O4 | 322.12051 | -0.045 | 8-Prenyldaidzein | KNApSAcK: C00019155 |
| C20H18O4 | 322.12051 | -0.045 | Neorautenol | FlavonoidViewer: FLID1ANP0002 KNApSAcK: C00009639 LipidMAPS: LMPK12070021 |
| C20H18O4 | 322.12051 | -0.045 | Rubiginone B1 | KNApSAcK: C00017614 |
| C20H18O4 | 322.12051 | -0.045 | Anthrasesamone E | KNApSAcK: C00054478 |
| C20H18O4 | 322.12051 | -0.045 | Bavachromene | FlavonoidViewer: FL1C1ANP0005 KNApSAcK: C00007069 LipidMAPS: LMPK12120080 |
| C20H18O4 | 322.12051 | -0.045 | Sterequinone I | KNApSAcK: C00043032 |
| C20H18O4 | 322.12051 | -0.045 | (-)-Phaseollin | FlavonoidViewer: FLID1ANP0001 HMDB: HMDB0034173 KEGG: C10514 KNApSAcK: C00002559 LipidMAPS: LMPK12070020 |
| C20H18O4 | 322.12051 | -0.045 | Isoneorautenol | FlavonoidViewer: FLID1ANP0006 KNApSAcK: C00010002 LipidMAPS: LMPK12070025 |
| C20H18O4 | 322.12051 | -0.045 | Radulanolide | KNApSAcK: C00015863 |
| C20H18O4 | 322.12051 | -0.045 | Capitellataquinone D | KNApSAcK: C00035556 |
| C20H18O4 | 322.12051 | -0.045 | Erypoegin E | KNApSAcK: C00018935 |
| C20H18O4 | 322.12051 | -0.045 | Artonin ZA | KNApSAcK: C00047268, C00055148 |
| C12H22O6N2S | 322.11986 | 1.978 | N-((R)-Pantothenoyl)-L-cysteine | HMDB: HMDB0006834 KEGG: C04079 |
| C15H19O2N4Cl | 322.11965 | 2.609 | (4E)-2-(4-Chlorophenyl)-4-methoxyimino-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol | HMDB: HMDB0248894 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 323.12759 |
| Splash: splash10-01ox-0790000000-32b2b0c496c024edaa50 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 291.09 | 9534 | 32 | 1000 |
| 160.98 | 7884 | 162 | 826 |
| 199.08 | 1146 | 124 | 120 |
| 259.19 | 732 | 64 | 76 |
| 136.94 | 718 | 186 | 75 |
| 295.18 | 705 | 28 | 73 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.118 | [Flavanone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Abyssinone I |
| 0.118 | [2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Kanzonol B |
| 0.100 | [Flavone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavone | Kanzonol D |
| 0.100 | [Flavone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavone | Licoflavone A |
| 0.095 | [Isoflavone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Isoflavone | Neobavaisoflavone |
| 0.083 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan | Neorautenol |
| 0.083 | [Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Phaseollin |
| 0.083 | [Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Isoneorautenol |
| 0.071 | [Chalcone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Chalcone | Munsericin |
| 0.056 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | 4'-Hydroxyisolonchocarpin |
| 0.056 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Flemichapparin A |
| 0.056 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Isobavachromene |
| 0.056 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Bavachromene |
| 0.048 | [Flavone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavone | 7,4'-Dihydroxy-8-prenylflavone |
| 0.048 | [Flavone]-A(2OH, 1(C-Prenyl))-B(none) | Flavone | 5,7-Dihydroxy-8-prenylflavone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Obovatin |
| 0.000 | [Dihydroflavonol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Dihydroflavonol | 3-Hydroxyisolonchocarpin |
| 0.000 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(none) | Flavanone | Isoderricin A |
| 0.000 | [Flavan 3-ol]-A(4OH)-B(2OH) | Flavan 3-ol | Elephantorrhizol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Derricin |
| 0.000 | [Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Chalcone | Ovalitenin C |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(2OMe) | Flavone | Millettocalyxin C |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavonol | 3,4'-Dimethoxyfurano[2,3:7,8]flavone |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(3OH) | Flavan 3,4-diol | Gallocatechin-4-ol |
| 0.000 | [isoflavene]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | isoflavene | Glabrene |
| Level: 3, プリカーサーm/z: 291.08560 |
| Splash: splash10-03di-0090000000-4e443b2921626ca69ff6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 260.18 | 2525 | 31 | 1000 |
| 259.09 | 1605 | 32 | 635 |
| 276.16 | 794 | 15 | 314 |
| 263.17 | 768 | 28 | 303 |
| 231.06 | 376 | 60 | 148 |
| 248.17 | 138 | 43 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Dihydrochalcone]-A(3OH)-B(2OH) | Dihydrochalcone | 3,4,2',4',6'-Pentahydroxydihydrochalcone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | Mesquitol |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | 2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | 3,5,7,3',5'-Pentahydroxyflavan |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | Catechin |
| 0.000 | [Flavan 3-ol]-A(1OH)-B(3OH) | Flavan 3-ol | Robinetinidol |
| 0.000 | [Dihydrochalcone alpha-ol]-A(3OH)-B(1OH) | Dihydrochalcone alpha-ol | Nubigenol |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(2OH) | Dihydrochalcone alpha-ol | 3,4,2',4',alpha-Pentahydroxydihydrochalcone |
| 0.000 | [Flavan 4-ol]-A(2OH)-B(2OH) | Flavan 4-ol | Luteoforol |
| 0.000 | [Flavan 3,4-diol]-A(1OH)-B(2OH) | Flavan 3,4-diol | 3,4,7,3',4'-Pentahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH) | Flavan 3,4-diol | 3,4,7,8,4'-Pentahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH) | Flavan 3,4-diol | 3,4,5,7,4'-Pentahydroxyflavan |