ピーク情報
|
ポプラ, 幼植物, 地上部
pos
|
| Peak #7368 MN MID: SE205_S08_M90 |
| m/z: 305.10202, RT: 63.71, 強度: 3668, ログ強度: -0.03, 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: (44 names) 2-(3,4-Dihydroxyphenyl)-2-methyl-3,4-dihydrochromene-3,5,7-triol;3-Methyl-epicatechin;(S)-Hemiketal;Phebaclavin B;(-)-3-[2-(Acetyloxy)propyl]-2-hydroxy-8-methoxy-1,4-naphthoquinone;(3R)-7,8,2',3'-Tetr... |
| DBごとのヒット数: ALL 38 KG 7 KN 25 HM 5 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.600, 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 |
|---|---|---|---|---|
| C16H16O6 | 304.09469 | 0.168 | 2-(3,4-Dihydroxyphenyl)-2-methyl-3,4-dihydrochromene-3,5,7-triol | HMDB: HMDB0257999 |
| C16H16O6 | 304.09469 | 0.168 | 3-Methyl-epicatechin | HMDB: HMDB0029231 |
| C16H16O6 | 304.09469 | 0.168 | (S)-Hemiketal | KEGG: C18356 |
| C16H16O6 | 304.09469 | 0.168 | (-)-3-[2-(Acetyloxy)propyl]-2-hydroxy-8-methoxy-1,4-naphthoquinone | KNApSAcK: C00029274 |
| C16H16O6 | 304.09469 | 0.168 | Phebaclavin B | KNApSAcK: C00045363 |
| C16H16O6 | 304.09469 | 0.168 | (S)-Chiral alcohol | KEGG: C18354 |
| C16H16O6 | 304.09469 | 0.168 | Griseophenone C | KEGG: C18836 |
| C16H16O6 | 304.09469 | 0.168 | Fonsecin B | HMDB: HMDB0033866 KNApSAcK: C00034518 |
| C16H16O6 | 304.09469 | 0.168 | Heraclenol | HMDB: HMDB0030745 KNApSAcK: C00037262 |
| C16H16O6 | 304.09469 | 0.168 | 3'-O-Methylcatechin | HMDB: HMDB0041507, HMDB0245959 |
| C16H16O6 | 304.09469 | 0.168 | Photinide A | KNApSAcK: C00048057, C00048058 |
| C16H16O6 | 304.09469 | 0.168 | (R)-7-Methoxy-6,8-dihydroxy-alpha-dunnione | KNApSAcK: C00042017 |
| C16H16O6 | 304.09469 | 0.168 | Episappanol | KNApSAcK: C00020451 |
| C16H16O6 | 304.09469 | 0.168 | Ventiloquinone I | KNApSAcK: C00046496 |
| C16H16O6 | 304.09469 | 0.168 | 6-Methoxy-alpha-pyrufuran | HMDB: HMDB0041294 KEGG: C08761 KNApSAcK: C00002401 |
| C16H16O6 | 304.09469 | 0.168 | Dihydrokalafungin dihydroquinone form | KEGG: C18360 |
| C16H16O6 | 304.09469 | 0.168 | Oxypeucedanin hydrate | HMDB: HMDB0256020 KNApSAcK: C00030905, C00035717 |
| C16H16O6 | 304.09469 | 0.168 | Altersolanol B | KNApSAcK: C00017975 |
| C16H16O6 | 304.09469 | 0.168 | Herbarin | KNApSAcK: C00018803 |
| C16H16O6 | 304.09469 | 0.168 | Glochidiolide | KNApSAcK: C00031821, C00031904 |
| C16H16O6 | 304.09469 | 0.168 | Protosappanin B | HMDB: HMDB0256875 |
| C16H16O6 | 304.09469 | 0.168 | beta-Cotonefuran | KEGG: C08740 KNApSAcK: C00002394 |
| C16H16O6 | 304.09469 | 0.168 | 8-O-Methyljavanicin | KNApSAcK: C00023708 |
| C16H16O6 | 304.09469 | 0.168 | 4-Methyl-epicatechin | HMDB: HMDB0029228 |
| C16H16O6 | 304.09469 | 0.168 | Wentilactone A | KNApSAcK: C00023389, C00023905 |
| C16H16O6 | 304.09469 | 0.168 | Phebaclavin A | KNApSAcK: C00045362 |
| C16H16O6 | 304.09469 | 0.168 | 4,2',4',beta-Tetrahydroxy-6'-methoxydihydrochalcone | KNApSAcK: C00014610 |
| C16H16O6 | 304.09469 | 0.168 | (1S,3S)-Austrocortilutein | KNApSAcK: C00036337 |
| C16H16O6 | 304.09469 | 0.168 | Penicillenone | KNApSAcK: C00034102 |
| C16H16O6 | 304.09469 | 0.168 | 6-Methoxy-3',4'-dehydromurranganon | KNApSAcK: C00019948 |
| C16H16O6 | 304.09469 | 0.168 | (3R)-3',8-Dihydroxyvestitol | FlavonoidViewer: FLIC3LNS0004 KNApSAcK: C00010032 LipidMAPS: LMPK12080042 |
| C16H16O6 | 304.09469 | 0.168 | Symplocosidin | FlavonoidViewer: FL63ADNS0001, FL63CDNS0001 HMDB: HMDB0029175, HMDB0038519 KNApSAcK: C00008809, C00013259, C00055676 LipidMAPS: LMPK12020111, LMPK12020142 |
| C16H16O6 | 304.09469 | 0.168 | 4,2',4',beta-Tetrahydroxy-6'-methoxy-alpha,beta-dihydrochalcone | FlavonoidViewer: FL1DHYNS0005 LipidMAPS: LMPK12120590 |
| C16H16O6 | 304.09469 | 0.168 | Catechin-7-methyl ether | FlavonoidViewer: FL63CCNS0001 KNApSAcK: C00013258 LipidMAPS: LMPK12020141 |
| C16H16O6 | 304.09469 | 0.168 | Ortin-4alpha-ol 8-methyl ether | FlavonoidViewer: FL6D3ANS0004, FL6D3ANS0005 KNApSAcK: C00009007, C00009008 LipidMAPS: LMPK12020189, LMPK12020190 |
| C16H16O6 | 304.09469 | 0.168 | 3,4,4',alpha-Tetrahydroxy-2'-methoxydihydrochalcone | FlavonoidViewer: FL1DHXNS0006 KNApSAcK: C00007950 LipidMAPS: LMPK12120578 |
| C16H16O6 | 304.09469 | 0.168 | Catechin 4'-methyl ether | FlavonoidViewer: FL63AENS0001 HMDB: HMDB0029179, HMDB0030662 KNApSAcK: C00008810 LipidMAPS: LMPK12020113 |
| C10H22O4N2Cl2 | 304.09566 | -3.038 | Mannomustine dihydrochloride | KEGG: [f]C19441 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 305.10168 |
| Splash: splash10-01ox-0900000000-51706317084b574016a6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 140.91 | 13166 | 164 | 1000 |
| 164.93 | 9062 | 140 | 688 |
| 287.01 | 1052 | 18 | 79 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.600 | [Flavan 3-ol]-A(1OH, 1OMe)-B(2OH) | Flavan 3-ol | Catechin-7-methyl ether |
| 0.167 | [Dihydroflavonol]-A(3OH)-B(1OH) | Dihydroflavonol | 3,5,7,8,4'-Pentahydroxyflavanone |
| 0.167 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | 8-Hydroxyfustin |
| 0.167 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | 3,5,7,2',5'-Pentahydroxyflavanone |
| 0.167 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | 3,5,7,2',6'-Pentahydroxyflavanone |
| 0.167 | [Dihydroflavonol]-A(1OH)-B(3OH) | Dihydroflavonol | Dihydrorobinetin |
| 0.143 | [Flavan 3-ol]-A(2OH)-B(1OH, 1OMe) | Flavan 3-ol | Symplocosidin |
| 0.143 | [Flavan 3-ol]-A(2OH)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 4'-methyl ether |
| 0.143 | [Flavan 3-ol]-A(2OH)-B(1OH, 1OMe) | Flavan 3-ol | Catechin-3'-methyl ether |
| 0.111 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | Taxifolin |
| 0.111 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | Dihydromorin |
| 0.100 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | 3,5,7,3',5'-Pentahydroxyflavanone |
| 0.091 | [2'-Hydroxychalcone]-A(3OH)-B(3OH) | 2'-Hydroxychalcone | 3,4,5,2',4',6'-Hexahydroxychalcone |
| 0.083 | [Flavanone]-A(2OH)-B(3OH) | Flavanone | 5,7,3',4',5'-Pentahydroxyflavanone |
| 0.077 | [Flavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavone | 6'',6''-Dimethylpyrano[2'',3'':7,8]flavone |
| 0.000 | [Isoflavan]-A(2OH)-B(2OH, 1OMe) | Isoflavan | 3',8-Dihydroxyvestitol |
| 0.000 | [Auronol]-A(2OH)-B(2OH) | Auronol | Nigrescin |
| 0.000 | [Auronol]-A(2OH)-B(2OH) | Auronol | Alphitonin |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(2OH) | beta-Hydroxy(or Oxodihydro)chalcone | 3,4,2',4',6',beta-Hexahydroxychalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(2OH) | Dihydrochalcone alpha-ol | 3,4,4',alpha-Tetrahydroxy-2'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OH, 1OMe)-B(1OH) | Dihydrochalcone beta-ol | 4,2',4',beta-Tetrahydroxy-6'-methoxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(2OH) | 2-Hydroxyflavanone | 2,5,7,3',4'-Pentahydroxyflavanone |
| 0.000 | [Flavone]-A(2OH, 1Cl)-B(1OH) | Flavone | 6-Chloroapigenin |
| 0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe)-B(1OH) | Flavan 3,4-diol | Ortin-4alpha-ol 8-methyl ether |
| Level: 3, プリカーサーm/z: 164.93442 |
| Splash: splash10-00di-0900000000-3c7124646a037d63b308 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 123.03 | 1465 | 42 | 1000 |
FlavonoidSearch結果
ヒットなし