ピーク情報
|
ミヤコグサ
pos
|
| Peak #3894 MN MID: SE205_S07_M90 |
| m/z: 435.09241, RT: 46.61, 強度: 119917, ログ強度: 1.58, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4 |
| DB検索結果: (16 names) Avicularin;6-Hydroxyluteolin 7-apioside;Delphinidin 3-arabinoside;8-Hydroxyluteolin 7-xyloside;Fukinolic acid;Isoetin 2'-xyloside;Quercetin 3'-xyloside;Delphinidin 3-xyloside;Tricetin 3'-xyloside;Quer... |
| DBごとのヒット数: ALL 16 KN 14 HM 2 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.650 |
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 |
|---|---|---|---|---|
| C20H18O11 | 434.08491 | 0.501 | Avicularin | FlavonoidViewer: FL5FACGS0001 HMDB: HMDB0030860, HMDB0033795, HMDB0303633 KEGG: C22608 KNApSAcK: C00005367, C00020667, C00053738 LipidMAPS: LMPK12112167 |
| C20H18O11 | 434.08491 | 0.501 | 6-Hydroxyluteolin 7-apioside | FlavonoidViewer: FL3FECGS0010 KNApSAcK: C00004385 LipidMAPS: LMPK12111183 |
| C20H18O11 | 434.08491 | 0.501 | Delphinidin 3-arabinoside | FlavonoidViewer: [1]FL7AAGGO0001 KNApSAcK: [1]C00006696, [1]C00031728 |
| C20H18O11 | 434.08491 | 0.501 | 8-Hydroxyluteolin 7-xyloside | FlavonoidViewer: FL3FFCGS0001 KNApSAcK: C00004417 LipidMAPS: LMPK12111370 |
| C20H18O11 | 434.08491 | 0.501 | Fukinolic acid | HMDB: HMDB0029499 KNApSAcK: C00041438, C00041531 |
| C20H18O11 | 434.08491 | 0.501 | Isoetin 2'-xyloside | FlavonoidViewer: FL3FALGS0002 KNApSAcK: C00004472 LipidMAPS: LMPK12110883 |
| C20H18O11 | 434.08491 | 0.501 | Quercetin 3'-xyloside | FlavonoidViewer: FL5FACGS0017 KNApSAcK: C00005385 LipidMAPS: LMPK12112182 |
| C20H18O11 | 434.08491 | 0.501 | Delphinidin 3-xyloside | HMDB: [1]HMDB0037998, [1]HMDB0301665 |
| C20H18O11 | 434.08491 | 0.501 | Tricetin 3'-xyloside | FlavonoidViewer: FL3FAGGS0002 KNApSAcK: C00004452 LipidMAPS: LMPK12110840 |
| C20H18O11 | 434.08491 | 0.501 | Quercetin 7-xyloside | FlavonoidViewer: FL5FACGS0012 HMDB: HMDB0037927 KNApSAcK: C00005380 LipidMAPS: LMPK12112177 |
| C20H18O11 | 434.08491 | 0.501 | Herbacetin 7-beta-L-arabinopyranoside | FlavonoidViewer: FL5FFAGS0001 KNApSAcK: C00005336 LipidMAPS: LMPK12113115 |
| C20H18O11 | 434.08491 | 0.501 | 6-Hydroxyluteolin 6-xyloside | FlavonoidViewer: FL3FECGS0003 HMDB: HMDB0037595 KNApSAcK: C00004378 LipidMAPS: LMPK12111176 |
| C20H18O11 | 434.08491 | 0.501 | 6-Hydroxyluteolin 7-xyloside | FlavonoidViewer: FL3FECGS0007, FL3FECGS0008 KNApSAcK: C00004382, C00004383 LipidMAPS: LMPK12111180, LMPK12111181 |
| C20H18O11 | 434.08491 | 0.501 | Rhodalin | FlavonoidViewer: FL5FFAGS0004, FL5FFAGS0005 KNApSAcK: C00005339, C00005340 LipidMAPS: LMPK12113118, LMPK12113119 |
| C20H18O11 | 434.08491 | 0.501 | Reynoutrin | FlavonoidViewer: FL5FACGS0002, FL5FACGS0003, FL5FACGS0004, FL5FACGS0061 HMDB: HMDB0252965 KNApSAcK: C00005368, C00005369, C00005370, C00013833, C00031115, C00048520, C00053739 LipidMAPS: LMPK12112168, LMPK12112169, LMPK12112226 |
| C22H18O2N4S2 | 434.08712 | -4.582 | N-[5-[2-(3-Acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide | HMDB: HMDB0255032 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 435.09183 |
| Splash: splash10-0udi-0009000000-5e674eafa5a0cb4c3e18 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 303.07 | 201150 | 132 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OH, 3OMe) | Flavone | Agehoustin D |
| 0.000 | [Flavanone]-A(3OMe)-B(4OMe) | Flavanone | 5,6,7,2',3',4',5'-Heptamethoxyflavanone |
| 0.000 | [Flavanone]-A(4OMe)-B(3OMe) | Flavanone | 5,6,7,8,3',4',5'-Heptamethoxyflavanone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(4OMe) | 2'-Hydroxychalcone | 6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OMe)-B(4OMe) | beta-Hydroxy(or Oxodihydro)chalcone | beta-Hydroxy-2,3,4,5,2',4',5'-heptamethoxychalcone |
| 0.000 | [Flavanone]-A(1OH, 1(C-Galactosyl))-B(2OH) | Flavanone | Palodulcin B |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(1OH) | Flavanone | Hemiphloin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(1OH) | Flavanone | Isohemiphloin |
| 0.000 | [Flavone]-A(2OH)-B(1([2,3:@@]-(5-Hydroxymethyl-6-(p-hydroxyphenyl)-dihydro[1,4]dioxinyl))) | Flavone | Sinaticin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(3-Methyl-1-butenyl))-B(1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartocarpin A |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartocarpin |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artobiloxanthone |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Cycloartobiloxanthone |
| 0.000 | [Flavonol (3-OMe)]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavonol | Macaflavone II |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(1-(p-Hydroxyphenyl)ethyl))-B(1OMe) | Flavonol | Haplopappin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(1-(p-Hydroxyphenyl)ethyl))-B(1OMe) | Flavonol | Haplopappin A |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(2OH, 1OMe) | Flavonol | 3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavonol | Digicitrin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OMe) | Flavonol | 5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavonol | 5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OMe) | Flavonol | 5,7-Dihydroxy-3,6,8,2',4',5'-hexamethoxyflavone |
| 0.000 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Mundulone |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Isoflavone | Auriculin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 4-Hydroxy-3-phenylcoumarin | Scandenin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 4-Hydroxy-3-phenylcoumarin | Lonchocarpic acid |
| Level: 3, プリカーサーm/z: 303.07098 |
| Splash: splash10-0bvr-0391000000-1dcea5ccef95e78a4c29 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 257.00 | 16995 | 46 | 1000 |
| 228.98 | 12980 | 74 | 763 |
| 285.08 | 10022 | 18 | 589 |
| 164.92 | 9767 | 138 | 574 |
| 303.12 | 6209 | -0 | 365 |
| 247.02 | 6027 | 56 | 354 |
| 136.90 | 2720 | 166 | 160 |
| 274.07 | 2389 | 29 | 140 |
| 275.11 | 2189 | 28 | 128 |
| 152.88 | 2182 | 150 | 128 |
| 219.14 | 1310 | 84 | 77 |
| 201.05 | 1229 | 102 | 72 |
| 110.80 | 1224 | 192 | 72 |
| 148.87 | 1199 | 154 | 70 |
| 195.06 | 1058 | 108 | 62 |
| 166.04 | 918 | 137 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.650 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Rhynchosin |
| 0.650 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Melanoxetin |
| 0.650 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Quercetin |
| 0.650 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Morin |
| 0.600 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | 3,5,7,2',5'-Pentahydroxyflavone |
| 0.600 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Viscidulin I |
| 0.571 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | Robinetin |
| 0.571 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | 3,7,2',3',4'-Pentahydroxyflavone |
| 0.529 | [Flavone]-A(2OH)-B(3OH) | Flavone | Tricetin |
| 0.529 | [Flavone]-A(2OH)-B(3OH) | Flavone | Isoetin |
| 0.444 | [Flavone]-A(3OH)-B(2OH) | Flavone | 6-Hydroxyluteolin |
| 0.444 | [Flavone]-A(3OH)-B(2OH) | Flavone | Hypolaetin |
| 0.375 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | 6-Hydroxykaempferol |
| 0.375 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | Herbacetin |
| 0.368 | [Anthocyanidin]-A(2OH)-B(3OH) | Anthocyanidin | Delphinidin |
| 0.368 | [Anthocyanidin]-A(3OH)-B(2OH) | Anthocyanidin | 6-Hydroxycyanidin |
| 0.350 | [Isoflavone]-A(3OH)-B(2OH) | Isoflavone | 5,7,8,2',4'-Pentahydroxyisoflavone |
| 0.333 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Ferreirin |
| 0.333 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Isoferreirin |
| 0.263 | [Isoflavanone]-A(1OH)-B(2OH, 1OMe) | Isoflavanone | 7,2',3'-Trihydroxy-4'-methoxyisoflavanone |
| 0.238 | [Chalcone]-A(2OH)-B(2OH, 1OMe) | Chalcone | 3,4,3',4'-Tetrahydroxy-2-methoxychalcone |
| 0.182 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Alysifolinone |
| 0.182 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Homoeriodictyol |
| 0.182 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Hesperetin |
| 0.182 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxybutin |
| 0.182 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 7,2',6'-Trihydroxy-5-methoxyflavanone |
| 0.182 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Scutamoenin |
| 0.182 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 5,2',3'-Trihydroxy-7-methoxyflavanone |
| 0.182 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Eriodictyol 5-methyl ether |
| 0.182 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Sternbin |
| 0.182 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Artocarpanone |
| 0.143 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Okanin 4-methyl ether |
| 0.143 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 4,2',4',6'-Tetrahydroxy-3-methoxychalcone |
| 0.130 | [Flavanone]-A(3OH, 1OMe)-B(none) | Flavanone | Oresbiusin |
| 0.130 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-methoxyflavanone |
| 0.130 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,8,2'-Trihydroxy-7-methoxyflavanone |
| 0.130 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-8-methoxyflavanone |
| 0.130 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 4'-O-Methylcarthamidin |
| 0.130 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 5,7,8-Trihydroxy-4'-methoxyflavanone |
| 0.118 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | 3,5,8-Trihydroxy-7-methoxyflavanone |
| 0.118 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 5-methyl ether |
| 0.118 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 7-methyl ether |
| 0.111 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OMe) | Flavan 3-ol | Afzelechin 5,4'-dimethyl ether |
| 0.100 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | Alnustinol |
| 0.100 | [Dihydroflavonol]-A(2OH)-B(1OMe) | Dihydroflavonol | Aromadendrin 4'-methyl ether |
| 0.091 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OH) | 2'-Hydroxychalcone | Lanceoletin |
| 0.059 | [Dihydroflavonol (3-OMe)]-A(1OH)-B(2OH) | Dihydroflavonol | 3-O-Methyl-2,3-trans-fustin |
| 0.053 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Isoflavan | 5-Methoxyvestitol |
| 0.053 | [Isoflavan]-A(2OMe)-B(2OH) | Isoflavan | Lotisoflavan |
| 0.053 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Sphaerosin |
| 0.053 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | 4',7-Dihydroxy-2',3'-dimethoxyisoflavan (+-) |
| 0.053 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Mucronulatol |
| 0.053 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Isomucronulatol |
| 0.053 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Methoxyvestitol |
| 0.050 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin 3-methyl ether |
| 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 | [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 |