ピーク情報
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ミヤコグサ
pos
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| Peak #5018 MN MID: SE205_S07_M90 |
| m/z: 303.12280, RT: 53.59, 強度: 3786, ログ強度: 0.08, 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: (66 names) 5-Methyldihydroflavasperone;3',4'-Dihydroxy-5,7-dimethoxyflavan;2,6-Dihydroxy-1,5,7-trimethoxy-9,10-dihydrophenanthrene;4'-Hydroxy-3,3'-dimethoxy-4,5-methylenedioxybibenzyl;4,2'-Dihydroxy-4',6'-dimeth... |
| DBごとのヒット数: ALL 55 KG 3 KN 50 HM 2 |
| FlavonoidSearch最大スコア MS2: 0.400, 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 |
|---|---|---|---|---|
| C17H18O5 | 302.11542 | 0.323 | 5-Methyldihydroflavasperone | KNApSAcK: C00044466 |
| C17H18O5 | 302.11542 | 0.323 | 3',4'-Dihydroxy-5,7-dimethoxyflavan | FlavonoidViewer: FL6FDCNS0001 KNApSAcK: C00008762 LipidMAPS: LMPK12020278 |
| C17H18O5 | 302.11542 | 0.323 | 2,6-Dihydroxy-1,5,7-trimethoxy-9,10-dihydrophenanthrene | KNApSAcK: C00015239, C00043144 |
| C17H18O5 | 302.11542 | 0.323 | Dihydroflavokawain C | FlavonoidViewer: FL1DDANS0001 KNApSAcK: C00014600, C00030253 LipidMAPS: LMPK12120549 |
| C17H18O5 | 302.11542 | 0.323 | 4'-Hydroxy-3,3'-dimethoxy-4,5-methylenedioxybibenzyl | KNApSAcK: C00015552 |
| C17H18O5 | 302.11542 | 0.323 | 2',4'-Dihydroxy-4,3'-dimethoxydihydrochalcone | FlavonoidViewer: FL1D3CNS0001 KNApSAcK: C00008125 LipidMAPS: LMPK12120462 |
| C17H18O5 | 302.11542 | 0.323 | Gutenbergin | KNApSAcK: C00013070 |
| C17H18O5 | 302.11542 | 0.323 | Ceratiolin | FlavonoidViewer: FL1DQUNM0003 KNApSAcK: C00007981 LipidMAPS: LMPK12120596 |
| C17H18O5 | 302.11542 | 0.323 | (3R)-8,2'-Dihydroxy-7,4'-dimethoxyisoflavan | KNApSAcK: C00019713 |
| C17H18O5 | 302.11542 | 0.323 | 5-Methoxyvestitol | FlavonoidViewer: FLICALNS0002 KNApSAcK: C00009718 LipidMAPS: LMPK12080049 |
| C17H18O5 | 302.11542 | 0.323 | Laxifloran | FlavonoidViewer: FLIC1LNS0012, FLIC1LNS0013 HMDB: HMDB0038128 KNApSAcK: C00009716, C00009717 LipidMAPS: LMPK12080034 |
| C17H18O5 | 302.11542 | 0.323 | Isonotholaenic acid | KNApSAcK: C00015795 |
| C17H18O5 | 302.11542 | 0.323 | Sequirin C | KNApSAcK: C00031369 |
| C17H18O5 | 302.11542 | 0.323 | 2,7-Dihydroxy-1,3,5-trimethoxy-9,10-dihydrophenanthrene | KNApSAcK: C00015252 |
| C17H18O5 | 302.11542 | 0.323 | Isomurralonginol acetate | KNApSAcK: C00050960 |
| C17H18O5 | 302.11542 | 0.323 | 5,6-Dihydroxy-1,3,4-trimethoxy-9,10-dihydrophenanthrene | KNApSAcK: C00015585 |
| C17H18O5 | 302.11542 | 0.323 | 3,6-Dihydroxy-2,4,7-trimethoxy-9,10-Dihydropenanthrene | KNApSAcK: C00015401 |
| C17H18O5 | 302.11542 | 0.323 | 2-Formyl-5-(4'-methoxybenzoyloxy)-3-methyl-2-cyclopentene-1-acetaldehyde | KNApSAcK: C00036487 |
| C17H18O5 | 302.11542 | 0.323 | Columbianetin propionate | KNApSAcK: C00042405 |
| C17H18O5 | 302.11542 | 0.323 | Dalberatin E | KNApSAcK: C00044692 |
| C17H18O5 | 302.11542 | 0.323 | 2,4'-Dihydroxy-4,6-dimethoxydihydrochalcone | FlavonoidViewer: FL1DRTNS0008 KNApSAcK: C00014603 LipidMAPS: LMPK12120607 |
| C17H18O5 | 302.11542 | 0.323 | Phoyunbene A | KNApSAcK: C00031008 |
| C17H18O5 | 302.11542 | 0.323 | Notholaenic acid | KNApSAcK: C00015828 |
| C17H18O5 | 302.11542 | 0.323 | Lantalucratin D | KNApSAcK: C00043658 |
| C17H18O5 | 302.11542 | 0.323 | 8-Methoxyvestitol | KNApSAcK: C00019590 |
| C17H18O5 | 302.11542 | 0.323 | 2',7-Dihydroxy-4',6-dimethoxyisoflavan | HMDB: HMDB0033996 |
| C17H18O5 | 302.11542 | 0.323 | Odoratol | FlavonoidViewer: FL1DHXNS0002 KEGG: C09807 KNApSAcK: C00000988, C00038410 LipidMAPS: LMPK12120574 |
| C17H18O5 | 302.11542 | 0.323 | 4,7-Dihydorxy-2,3,6-trimethoxy-9,10-dihydrophenanthrene | KNApSAcK: C00015540 |
| C17H18O5 | 302.11542 | 0.323 | 2,6-Dihydroxy-3,4,7-trimethoxy-9,10-dihydrophenanthrene | KNApSAcK: C00015243 |
| C17H18O5 | 302.11542 | 0.323 | 11,12-Dehydromatricarin | KNApSAcK: C00020816 |
| C17H18O5 | 302.11542 | 0.323 | 6,7-Dihydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene | KNApSAcK: C00015607 |
| C17H18O5 | 302.11542 | 0.323 | Phoyunbene B | KNApSAcK: C00031009 |
| C17H18O5 | 302.11542 | 0.323 | Afzelechin 5,4'-dimethyl ether | FlavonoidViewer: FL63BBNS0001 KNApSAcK: C00008807 LipidMAPS: LMPK12020138 |
| C17H18O5 | 302.11542 | 0.323 | Irazunolide | KNApSAcK: C00013069 |
| C17H18O5 | 302.11542 | 0.323 | 3',5-Dihydroxy-3,4,4'-trimethoxystilbene | KNApSAcK: C00015328 |
| C17H18O5 | 302.11542 | 0.323 | Litsealactone | KNApSAcK: C00012366 |
| C17H18O5 | 302.11542 | 0.323 | Nubenolide acetate | KNApSAcK: C00030866 |
| C17H18O5 | 302.11542 | 0.323 | Monascusone B | KNApSAcK: C00035855 |
| C17H18O5 | 302.11542 | 0.323 | (-)-Hydroxysugiresinol | KNApSAcK: C00000597 |
| C17H18O5 | 302.11542 | 0.323 | 4,2',6'-Trihydroxy-4'-methoxy-3'-methyldihydrochalcone | FlavonoidViewer: FL1DCANM0001 KNApSAcK: C00007999 LipidMAPS: LMPK12120543 |
| C17H18O5 | 302.11542 | 0.323 | 2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone | FlavonoidViewer: FL1DE9NS0003 KNApSAcK: C00014598 LipidMAPS: LMPK12120557 |
| C17H18O5 | 302.11542 | 0.323 | Calomelanone | FlavonoidViewer: FL1DCBNS0001 KNApSAcK: C00007939 LipidMAPS: LMPK12120546 |
| C17H18O5 | 302.11542 | 0.323 | 4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone | FlavonoidViewer: FL1DRTNS0009 KNApSAcK: C00014604 LipidMAPS: LMPK12120608 |
| C17H18O5 | 302.11542 | 0.323 | (-)-Zeylanine | KNApSAcK: C00012364 |
| C17H18O5 | 302.11542 | 0.323 | (-)-Mucronulatol | FlavonoidViewer: FLIC1LNS0001, FLIC1LNS0011 HMDB: HMDB0030717 KEGG: C10507 KNApSAcK: C00002551, C00009715, C00020688 LipidMAPS: LMPK12080024 |
| C17H18O5 | 302.11542 | 0.323 | Dihydropashanone | FlavonoidViewer: FL1DE9NS0001 KNApSAcK: C00007941 LipidMAPS: LMPK12120555 |
| C17H18O5 | 302.11542 | 0.323 | Melanoxin | KNApSAcK: C00020651 |
| C17H18O5 | 302.11542 | 0.323 | Lotisoflavan | FlavonoidViewer: FLICALNS0001 KEGG: C10495 KNApSAcK: C00002544 LipidMAPS: LMPK12080048 |
| C17H18O5 | 302.11542 | 0.323 | Ethericin B | KNApSAcK: C00018309 |
| C17H18O5 | 302.11542 | 0.323 | Isomucronulatol | FlavonoidViewer: FLIC1LNS0010 HMDB: HMDB0033189 KNApSAcK: C00009714 LipidMAPS: LMPK12080033 |
| C17H18O5 | 302.11542 | 0.323 | Diffutidin | FlavonoidViewer: FL6FAFNS0001 KNApSAcK: C00008763 LipidMAPS: LMPK12020268 |
| C17H18O5 | 302.11542 | 0.323 | 2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone | FlavonoidViewer: FL1DBBNS0001 KNApSAcK: C00007940 LipidMAPS: LMPK12120538 |
| C17H18O5 | 302.11542 | 0.323 | 3'-Hydroxy-3,4,5,4'-tetramethoxystilbene | HMDB: HMDB0041653 |
| C17H18O5 | 302.11542 | 0.323 | Methoxyvestitol | FlavonoidViewer: FLIC1LNS0015 KNApSAcK: C00010029 LipidMAPS: LMPK12080036 |
| C17H18O5 | 302.11542 | 0.323 | 2,7-Dihydroxy-3,4,6-trimethoxy-9,10-dihydrophenanthrene | KNApSAcK: C00015256 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 303.12277 |
| Splash: splash10-0udr-0900000000-9d80647fc766d5fe4528 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 152.94 | 20599 | 150 | 1000 |
| 136.96 | 11634 | 166 | 564 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.400 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Isoflavan | 5-Methoxyvestitol |
| 0.375 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Ferreirin |
| 0.375 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Isoferreirin |
| 0.250 | [Dihydroflavonol (3-OMe)]-A(1OH)-B(2OH) | Dihydroflavonol | 3-O-Methyl-2,3-trans-fustin |
| 0.222 | [Isoflavanone]-A(1OH)-B(2OH, 1OMe) | Isoflavanone | 7,2',3'-Trihydroxy-4'-methoxyisoflavanone |
| 0.188 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | 3,5,7,2',5'-Pentahydroxyflavone |
| 0.188 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Viscidulin I |
| 0.182 | [Flavone]-A(2OH)-B(3OH) | Flavone | Tricetin |
| 0.182 | [Flavone]-A(2OH)-B(3OH) | Flavone | Isoetin |
| 0.176 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Rhynchosin |
| 0.176 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Melanoxetin |
| 0.176 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Quercetin |
| 0.176 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Morin |
| 0.167 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OMe) | Flavan 3-ol | Afzelechin 5,4'-dimethyl ether |
| 0.167 | [Isoflavan]-A(2OMe)-B(2OH) | Isoflavan | Lotisoflavan |
| 0.167 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Sphaerosin |
| 0.167 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | 4',7-Dihydroxy-2',3'-dimethoxyisoflavan (+-) |
| 0.167 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Mucronulatol |
| 0.167 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Isomucronulatol |
| 0.167 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Methoxyvestitol |
| 0.143 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin 3-methyl ether |
| 0.125 | [Dihydroflavonol]-A(2OH)-B(1OMe) | Dihydroflavonol | Aromadendrin 4'-methyl ether |
| 0.111 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | Robinetin |
| 0.111 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | 3,7,2',3',4'-Pentahydroxyflavone |
| 0.100 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Okanin 4-methyl ether |
| 0.100 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 4,2',4',6'-Tetrahydroxy-3-methoxychalcone |
| 0.083 | [Chalcone]-A(2OH)-B(2OH, 1OMe) | Chalcone | 3,4,3',4'-Tetrahydroxy-2-methoxychalcone |
| 0.083 | [Flavone]-A(3OH)-B(2OH) | Flavone | 6-Hydroxyluteolin |
| 0.083 | [Flavone]-A(3OH)-B(2OH) | Flavone | Hypolaetin |
| 0.083 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Alysifolinone |
| 0.083 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Homoeriodictyol |
| 0.083 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Hesperetin |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxybutin |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 7,2',6'-Trihydroxy-5-methoxyflavanone |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Scutamoenin |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 5,2',3'-Trihydroxy-7-methoxyflavanone |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Eriodictyol 5-methyl ether |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Sternbin |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Artocarpanone |
| 0.053 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | 6-Hydroxykaempferol |
| 0.053 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | Herbacetin |
| 0.000 | [Anthocyanidin]-A(2OH)-B(3OH) | Anthocyanidin | Delphinidin |
| 0.000 | [Anthocyanidin]-A(3OH)-B(2OH) | Anthocyanidin | 6-Hydroxycyanidin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | Alnustinol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | 3,5,8-Trihydroxy-7-methoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 5-methyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 7-methyl ether |
| 0.000 | [Flavanone]-A(3OH, 1OMe)-B(none) | Flavanone | Oresbiusin |
| 0.000 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-methoxyflavanone |
| 0.000 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,8,2'-Trihydroxy-7-methoxyflavanone |
| 0.000 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-8-methoxyflavanone |
| 0.000 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 4'-O-Methylcarthamidin |
| 0.000 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 5,7,8-Trihydroxy-4'-methoxyflavanone |
| 0.000 | [Dihydrochalcone]-A(1OH, 2OMe)-B(1OH) | Dihydrochalcone | Dihydroflavokawain C |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 2OMe) | Dihydrochalcone | 2,4'-Dihydroxy-4,6-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 2OMe) | Dihydrochalcone | 4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe) | Dihydrochalcone | Lusianin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe) | Dihydrochalcone | Calomelanone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe) | Dihydrochalcone | 2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 2OMe)-B(none) | Dihydrochalcone | Dihydropashanone |
| 0.000 | [Dihydrochalcone]-A(2OH, 2OMe)-B(none) | Dihydrochalcone | 2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 2OMe)-B(none) | Dihydrochalcone | 2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OH) | 2'-Hydroxychalcone | Lanceoletin |
| 0.000 | [Isoflavone]-A(3OH)-B(2OH) | Isoflavone | 5,7,8,2',4'-Pentahydroxyisoflavone |
| 0.000 | [Aurone]-A(2OH)-B(3OH) | Aurone | Bracteatin |
| 0.000 | [Auronol]-A(1OH)-B(1OH, 1OMe) | Auronol | 2,6,3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone |
| 0.000 | [Auronol]-A(1OH, 1OMe)-B(1OH) | Auronol | Carpusin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(1OH) | Dihydrochalcone | 4,2',6'-Trihydroxy-4'-methoxy-3'-methyldihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OMe) | Dihydrochalcone alpha-ol | Odoratol |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(3OH, 2Methyl)-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | Ceratiolin |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(2OH) | Flavanone | 5,7,3',5'-Tetrahydroxy-6-methylflavanone |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(2OH) | Flavanone | 6-C-Methyleriodictylol |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1Methyl) | Flavanone | 5'-C-Methyleriodictylol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(1OH) | Dihydroflavonol | 6-Methylaromadendrin |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(none) | Flavan 4-ol | 4,5,7-Trihydroxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol | Peltogynan-4-alpha-ol |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol | Mopanan-4-alpha-ol |
| 0.000 | [Flavan]-A(2OH)-B(2OMe) | Flavan | Diffutidin |
| 0.000 | [Flavan]-A(2OMe)-B(2OH) | Flavan | 3',4'-Dihydroxy-5,7-dimethoxyflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1OMe) | Pterocarpan-6a-ol | 6a,7-Dihydroxymedicarpin |
| 0.000 | [[3,2']-Methano-4-phenylchroman (3-OH)]-A(2OH)-B(2OH) | [3,2']-Methano-4-phenylchroman | Haematoxylin |