ピーク情報
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ミヤコグサ
pos
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| Peak #6053 MN MID: SE205_S07_M90 |
| m/z: 273.11220, RT: 66.42, 強度: 13671, ログ強度: 0.64, 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: (67 names) 3',4-Dihydroxy-3,5'-dimethoxystilbene;Loureirin C;Densiflorol A;Methyl 10-angeloyloxy-2Z,8Z-decadiene-4,6-dinynoate;2,4,6-Trimethoxybenzophenone;Marminal;Eleutherin;3',4'-Dihydroxy-7-methoxyflavan;Sci... |
| DBごとのヒット数: ALL 59 KG 7 KN 48 HM 4 |
| FlavonoidSearch最大スコア MS2: 1.000, 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 |
|---|---|---|---|---|
| C16H16O4 | 272.10486 | 0.248 | 3',4-Dihydroxy-3,5'-dimethoxystilbene | KNApSAcK: C00015311 |
| C16H16O4 | 272.10486 | 0.248 | Densiflorol A | KNApSAcK: C00037031 |
| C16H16O4 | 272.10486 | 0.248 | 2,4,6-Trimethoxybenzophenone | HMDB: HMDB0033800 |
| C16H16O4 | 272.10486 | 0.248 | Methyl 10-angeloyloxy-2Z,8Z-decadiene-4,6-dinynoate | KNApSAcK: C00000162 LipidMAPS: LMFA07011190, LMFA07011191 |
| C16H16O4 | 272.10486 | 0.248 | Marminal | HMDB: HMDB0035035 |
| C16H16O4 | 272.10486 | 0.248 | Eleutherin | KEGG: C10340 KNApSAcK: C00002821, C00029282 |
| C16H16O4 | 272.10486 | 0.248 | Scillabene A | KNApSAcK: C00031318 |
| C16H16O4 | 272.10486 | 0.248 | Aspergione C | KNApSAcK: C00044547 |
| C16H16O4 | 272.10486 | 0.248 | Dehydroperilloxin | KNApSAcK: C00046717 |
| C16H16O4 | 272.10486 | 0.248 | 3-Methoxycacalonol | KNApSAcK: C00017506 |
| C16H16O4 | 272.10486 | 0.248 | Benzyl 2,6-dimethoxybenzoate | KNApSAcK: C00050540 |
| C16H16O4 | 272.10486 | 0.248 | Eulophiol | KNApSAcK: C00015190 |
| C16H16O4 | 272.10486 | 0.248 | 4-Hydroxy-3-methoxyacetophenone | KNApSAcK: C00029530 |
| C16H16O4 | 272.10486 | 0.248 | Ephemeranthol B | KNApSAcK: C00015245 |
| C16H16O4 | 272.10486 | 0.248 | 1,7-Dihydroxy-2,5-dimethoxy-9,10-dihydrophenanthrene | KNApSAcK: C00015191 |
| C16H16O4 | 272.10486 | 0.248 | Erianthridin | KNApSAcK: C00030201 |
| C16H16O4 | 272.10486 | 0.248 | Warburgin | KNApSAcK: C00017445 |
| C16H16O4 | 272.10486 | 0.248 | 9-Methoxy-alpha-lapachone | KEGG: C10372 KNApSAcK: C00002841 |
| C16H16O4 | 272.10486 | 0.248 | 1-(4-Hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propanone | KNApSAcK: C00020672 |
| C16H16O4 | 272.10486 | 0.248 | Ephemeranthol A | KNApSAcK: C00024149 |
| C16H16O4 | 272.10486 | 0.248 | 5C-aglycone | HMDB: HMDB0004810 |
| C16H16O4 | 272.10486 | 0.248 | Callosin | KNApSAcK: C00033689 |
| C16H16O4 | 272.10486 | 0.248 | 6-Methoxycoelonin | KNApSAcK: C00033580 |
| C16H16O4 | 272.10486 | 0.248 | O-Methyl-1,2-dehydrocacalol | KNApSAcK: C00046231 |
| C16H16O4 | 272.10486 | 0.248 | 2,4-Dihydroxy-6-phenethyl-benzoic acid methyl ester | KNApSAcK: C00029434 |
| C16H16O4 | 272.10486 | 0.248 | Tupichinol D | KNApSAcK: C00032429 |
| C16H16O4 | 272.10486 | 0.248 | 8-Hydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one | KNApSAcK: C00017447 |
| C16H16O4 | 272.10486 | 0.248 | 2-O-Methylisohemigossylic acid lactone | KNApSAcK: C00020089 |
| C16H16O4 | 272.10486 | 0.248 | 2,4-trans-7,4'-Dihydroxy-4-methoxyflavan | KNApSAcK: C00040792 |
| C16H16O4 | 272.10486 | 0.248 | 1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene | HMDB: HMDB0032847 KEGG: C04547 KNApSAcK: C00055352 |
| C16H16O4 | 272.10486 | 0.248 | 6-O-Methylequol | HMDB: HMDB0041670, HMDB0041701 |
| C16H16O4 | 272.10486 | 0.248 | 7,4'-Dihydroxy-3'-methoxyisoflavan | HMDB: HMDB0041660, HMDB0041669 KNApSAcK: C00018862 |
| C16H16O4 | 272.10486 | 0.248 | 4,5-Dihydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene | HMDB: HMDB0301762 KNApSAcK: C00015535 |
| C16H16O4 | 272.10486 | 0.248 | Deoxyshikonin | KEGG: C18133 KNApSAcK: C00050577 |
| C16H16O4 | 272.10486 | 0.248 | 5,6-Dihydroxy-2,4-dimethoxy-9,10-dihydropenanthrene | KNApSAcK: C00015586 |
| C16H16O4 | 272.10486 | 0.248 | Dehydrooxoperezinone-6-methyl ether | KNApSAcK: C00043444 |
| C16H16O4 | 272.10486 | 0.248 | Mansonone M | KNApSAcK: C00020126 |
| C16H16O4 | 272.10486 | 0.248 | Phoyunbene C | KNApSAcK: C00031010 |
| C16H16O4 | 272.10486 | 0.248 | 2,7-Dihydroxy-1,5-dimethoxy-9,10-dihydrophenanthrene | KNApSAcK: C00015254 |
| C16H16O4 | 272.10486 | 0.248 | 4,7-Dihydroxy-2,6-dimethoxy-9,10-dihydrophenanthrene | KNApSAcK: C00015545 |
| C16H16O4 | 272.10486 | 0.248 | 3-Hydroxy-3'-methoxy-4,5-methylenedioxybibenzyl | KNApSAcK: C00015431 |
| C16H16O4 | 272.10486 | 0.248 | 4'-Hydroxy-5-methoxy-3,4-methylenedioxybibenzyl | KNApSAcK: C00015557 |
| C16H16O4 | 272.10486 | 0.248 | 5-O-Methylalloptaeroxylin | KEGG: C09014 KNApSAcK: C00002436 |
| C16H16O4 | 272.10486 | 0.248 | Cordiaquinol I | KNApSAcK: C00038843 |
| C16H16O4 | 272.10486 | 0.248 | Loureirin C | FlavonoidViewer: FL1DRTNS0001 KNApSAcK: C00007923 LipidMAPS: LMPK12120600 |
| C16H16O4 | 272.10486 | 0.248 | 3',4'-Dihydroxy-7-methoxyflavan | FlavonoidViewer: FL6F1CNS0001 KNApSAcK: C00008758 LipidMAPS: LMPK12020244 |
| C16H16O4 | 272.10486 | 0.248 | 7,4'-Dihydroxy-3'-methoxyflavan | FlavonoidViewer: FL6F1CNS0002 KNApSAcK: C00008759 LipidMAPS: LMPK12020245 |
| C16H16O4 | 272.10486 | 0.248 | Isovestitol | FlavonoidViewer: FLIC1LNS0005 HMDB: HMDB0030526 KNApSAcK: C00009709 LipidMAPS: LMPK12080028 |
| C16H16O4 | 272.10486 | 0.248 | 4'-O-Methyldavidigenin | FlavonoidViewer: FL1D1ANS0002 KNApSAcK: C00007927 LipidMAPS: LMPK12120453 |
| C16H16O4 | 272.10486 | 0.248 | Uvangoletin | FlavonoidViewer: FL1DA9NS0003 KNApSAcK: C00007930 LipidMAPS: LMPK12120512 |
| C16H16O4 | 272.10486 | 0.248 | 3'-Methyl-2',4',6'-trihydroxydihydrochalcone | FlavonoidViewer: FL1DA9NM0008 KNApSAcK: C00014594 LipidMAPS: LMPK12120494 |
| C16H16O4 | 272.10486 | 0.248 | Guibourtinidol-7-methyl ether | FlavonoidViewer: FL631ANS0002 KNApSAcK: C00013260 LipidMAPS: LMPK12020008 |
| C16H16O4 | 272.10486 | 0.248 | 7,3'-Dihydroxy-4'-methoxyflavan | FlavonoidViewer: FL6F1CNS0003 KNApSAcK: C00008760, C00036525 LipidMAPS: LMPK12020246 |
| C16H16O4 | 272.10486 | 0.248 | Angolensin | FlavonoidViewer: FLIJ1ANS0001 KNApSAcK: C00009794 LipidMAPS: LMPK12160054 |
| C16H16O4 | 272.10486 | 0.248 | 2',6'-Dihydroxy-4'-methoxydihydrochalcone | FlavonoidViewer: FL1DA9NS0002 HMDB: HMDB0034435 KEGG: C09644 KNApSAcK: C00007929 LipidMAPS: LMPK12120511 |
| C16H16O4 | 272.10486 | 0.248 | Neovestitol | FlavonoidViewer: FLIC1LNS0006 KNApSAcK: C00009710 LipidMAPS: LMPK12080029 |
| C16H16O4 | 272.10486 | 0.248 | 2,4'-Dihydroxy-4-methoxydihydrochalcone | FlavonoidViewer: FL1DRTNS0002 KNApSAcK: C00007924 LipidMAPS: LMPK12120601 |
| C16H16O4 | 272.10486 | 0.248 | (+)-Vestitol | FlavonoidViewer: FLIC1LNS0003 KEGG: C10540, C16225 KNApSAcK: C00002583, C00018948, C00019387 LipidMAPS: LMPK12080026 |
| C16H16O4 | 272.10486 | 0.248 | 5,7-Dihydroxy-4'-methoxyflavan | FlavonoidViewer: FL6FABNS0001 KNApSAcK: C00008754 LipidMAPS: LMPK12020263 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 273.11200 |
| Splash: splash10-0079-0900000000-b837d6ad61eec050de38 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 136.93 | 48280 | 136 | 1000 |
| 122.90 | 38984 | 150 | 807 |
| 163.02 | 9973 | 110 | 206 |
| 151.03 | 6883 | 122 | 142 |
| 148.85 | 2738 | 124 | 56 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 1.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Vestitol |
| 1.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Isovestitol |
| 1.000 | [Isoflavan]-A(1OMe)-B(2OH) | Isoflavan | Neovestitol |
| 0.429 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
| 0.286 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
| 0.273 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
| 0.222 | [Pterocarpan]-A(2OH)-B(1OH) | Pterocarpan | 4-Hydroxydemethylmedicarpin |
| 0.214 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
| 0.214 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
| 0.214 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
| 0.143 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | Loureirin C |
| 0.143 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | 2,4'-Dihydroxy-4-methoxydihydrochalcone |
| 0.125 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | Uvangoletin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone | 4'-O-Methyldavidigenin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
| 0.000 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
| 0.000 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
| 0.000 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,8,4'-Trihydroxyflavanone |
| 0.000 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,2'-Trihydroxyflavanone |
| 0.000 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,3'-Trihydroxyflavanone |
| 0.000 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | Naringenin |
| 0.000 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
| 0.000 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
| 0.000 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Licodione |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',4',6',beta-Tetrahydroxychalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1Methyl)-B(none) | Dihydrochalcone | 3'-Methyl-2',4',6'-trihydroxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(none) | 2-Hydroxyflavanone | 2,5,7-Trihydroxyflavanone (2beta) |
| 0.000 | [Flavan]-A(1OMe)-B(2OH) | Flavan | 3',4'-Dihydroxy-7-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,4'-Dihydroxy-3'-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,3'-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(1OMe) | Flavan | 5,7-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH) | Pterocarpan-6a-ol | Glycinol |
| 0.000 | [alpha-Methyldeoxybenzoin]-A(2OH)-B(1OMe) | alpha-Methyldeoxybenzoin | Angolensin |
| Level: 3, プリカーサーm/z: 136.93443 |
| Splash: splash10-0a4i-0900000000-482286452d746b85ce07 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 108.97 | 1107 | 28 | 1000 |
FlavonoidSearch結果
ヒットなし