ピーク情報
|
＜アルコール飲料類＞（醸造酒類） ぶどう酒 赤
pos
|
| Peak #3920 MN MID: SE117_S160111_M90 |
| m/z: 303.04961, RT: 57.90, 強度: 47097, ログ強度: 1.29, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 6 |
| DB検索結果: (31 names) Bracteatin;Quercetin;2-(4-Hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one;5,6,7,8,4'-Pentahydroxyflavone;Nortangeretin;Rhynchosin;2'-Hydroxypseudobaptigenin;Morin;Viscidulin I;5,6,7,3',4'-Pe... |
| DBごとのヒット数: ALL 27 KG 14 KN 9 HM 4 |
| FlavonoidSearch最大スコア MS2: 0.478, MS3: 0.143 |
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 |
|---|---|---|---|---|
| C15H10O7 | 302.04265 | -1.060 | Bracteatin | FlavonoidViewer: FL1AAGNS0001 KEGG: C08577 KNApSAcK: C00008031 LipidMAPS: LMPK12130044 |
| C15H10O7 | 302.04265 | -1.060 | Quercetin | FlavonoidViewer: FL5FACNS0001 HMDB: HMDB0005794 KEGG: C00389 KNApSAcK: C00004631 LipidMAPS: LMPK12110004 |
| C15H10O7 | 302.04265 | -1.060 | Nortangeretin | KEGG: C15031 |
| C15H10O7 | 302.04265 | -1.060 | Rhynchosin | FlavonoidViewer: FL5F2CNS0001 KNApSAcK: C00004658 LipidMAPS: LMPK12111592 |
| C15H10O7 | 302.04265 | -1.060 | Morin | FlavonoidViewer: FL5FALNS0002 HMDB: HMDB0030796 KEGG: C10105 KNApSAcK: C00004624 LipidMAPS: LMPK12112517 |
| C15H10O7 | 302.04265 | -1.060 | Viscidulin I | FlavonoidViewer: FL5FA8NS0006 KNApSAcK: C00004629 LipidMAPS: LMPK12111627 |
| C15H10O7 | 302.04265 | -1.060 | 5,6,7,3',4'-Pentahydroxyisoflavone | HMDB: HMDB0041687 |
| C15H10O7 | 302.04265 | -1.060 | Paeciloquinone C | KNApSAcK: C00016465 |
| C15H10O7 | 302.04265 | -1.060 | 6-Hydroxyluteolin | FlavonoidViewer: FL3FECNS0003 HMDB: HMDB0036632 KEGG: C10072 KNApSAcK: C00003884 LipidMAPS: LMPK12111229 |
| C15H10O7 | 302.04265 | -1.060 | 6-Hydroxykaempferol | FlavonoidViewer: FL5FEANS0001 KEGG: C10068 KNApSAcK: C00001051, C00024204 LipidMAPS: LMPK12112860 |
| C15H10O7 | 302.04265 | -1.060 | 5,7,8,3',4'-Pentahydroxyisoflavone | HMDB: HMDB0041689 |
| C15H10O7 | 302.04265 | -1.060 | Herbacetin | FlavonoidViewer: FL5FFANS0001 HMDB: HMDB0303704 KEGG: C02806 KNApSAcK: C00001048 LipidMAPS: LMPK12113149 |
| C15H10O7 | 302.04265 | -1.060 | TAN 931 | KNApSAcK: C00017099 |
| C15H10O7 | 302.04265 | -1.060 | Anhydrofusarubin lactone | KNApSAcK: C00023711 |
| C15H10O7 | 302.04265 | -1.060 | Robustaquinone F | KNApSAcK: C00040164 |
| C15H10O7 | 302.04265 | -1.060 | Hypolaetin | FlavonoidViewer: FL3FFCNS0001 KEGG: C10078 KNApSAcK: C00001053 LipidMAPS: LMPK12111397 |
| C15H10O7 | 302.04265 | -1.060 | 3,5,7,2',5'-Pentahydroxyflavone | FlavonoidViewer: FL5FA8NS0004 KNApSAcK: C00004627 LipidMAPS: LMPK12111625 |
| C15H10O7 | 302.04265 | -1.060 | Melanoxetin | FlavonoidViewer: FL5F3CNS0001 KNApSAcK: C00004660 LipidMAPS: LMPK12111605 |
| C15H10O7 | 302.04265 | -1.060 | Tricetin | FlavonoidViewer: FL3FAGNS0001 HMDB: HMDB0029620 KEGG: C10192 KNApSAcK: C00013328 LipidMAPS: LMPK12110847 |
| C15H10O7 | 302.04265 | -1.060 | 5,7,8,2',4'-Pentahydroxyisoflavone | FlavonoidViewer: FLIAFLNS0002 HMDB: HMDB0033264 KNApSAcK: C00009867 LipidMAPS: LMPK12050441 |
| C15H10O7 | 302.04265 | -1.060 | Robinetin | FlavonoidViewer: FL5F1GNS0001 KEGG: C10177 KNApSAcK: C00001092 LipidMAPS: LMPK12111577 |
| C15H10O7 | 302.04265 | -1.060 | 6-Hydroxycyanidin | FlavonoidViewer: [1]FL7AECNS0001 KEGG: [1]C08646 KNApSAcK: [1]C00006616 LipidMAPS: [1]LMPK12010428 |
| C15H10O7 | 302.04265 | -1.060 | Delphinidin | HMDB: [1]HMDB0003074 KEGG: [1]C05908 KNApSAcK: [1]C00020091, [1]C00052959 LipidMAPS: [1]LMPK12010001 |
| C15H10O7 | 302.04265 | -1.060 | Isoetin | FlavonoidViewer: FL3FALNS0001 KEGG: C10079 KNApSAcK: C00001054 LipidMAPS: LMPK12110940 |
| C10H11O5N4Cl | 302.04180 | 1.771 | 8-Chloroinosine | HMDB: HMDB0247428 |
| C8H7O3N4F5 | 302.04383 | -4.962 | 2-(2-Nitroimidazol-1-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide | HMDB: HMDB0251710 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 303.04959 |
| Splash: splash10-0r2i-0391000000-79638e89d028dca84312 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 257.10 | 19153 | 46 | 1000 |
| 229.04 | 14874 | 74 | 776 |
| 285.07 | 11259 | 18 | 587 |
| 164.93 | 11098 | 138 | 579 |
| 247.10 | 8693 | 56 | 453 |
| 303.17 | 7732 | -0 | 403 |
| 136.91 | 3954 | 166 | 206 |
| 152.99 | 3149 | 150 | 164 |
| 274.11 | 2807 | 29 | 146 |
| 275.12 | 2624 | 28 | 137 |
| 258.10 | 2151 | 45 | 112 |
| 120.99 | 1543 | 182 | 80 |
| 110.96 | 1497 | 192 | 78 |
| 219.10 | 1327 | 84 | 69 |
| 165.96 | 1264 | 137 | 65 |
| 195.04 | 1252 | 108 | 65 |
| 286.03 | 1156 | 17 | 60 |
| 230.15 | 1044 | 73 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.478 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | 3,5,7,2',5'-Pentahydroxyflavone |
| 0.478 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Viscidulin I |
| 0.458 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Rhynchosin |
| 0.458 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Melanoxetin |
| 0.458 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Quercetin |
| 0.458 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Morin |
| 0.458 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | Robinetin |
| 0.458 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | 3,7,2',3',4'-Pentahydroxyflavone |
| 0.400 | [Flavone]-A(2OH)-B(3OH) | Flavone | Tricetin |
| 0.400 | [Flavone]-A(2OH)-B(3OH) | Flavone | Isoetin |
| 0.346 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | 6-Hydroxykaempferol |
| 0.346 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | Herbacetin |
| 0.333 | [Flavone]-A(3OH)-B(2OH) | Flavone | 6-Hydroxyluteolin |
| 0.333 | [Flavone]-A(3OH)-B(2OH) | Flavone | Hypolaetin |
| 0.300 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Ferreirin |
| 0.300 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Isoferreirin |
| 0.261 | [Isoflavone]-A(3OH)-B(2OH) | Isoflavone | 5,7,8,2',4'-Pentahydroxyisoflavone |
| 0.238 | [Isoflavanone]-A(1OH)-B(2OH, 1OMe) | Isoflavanone | 7,2',3'-Trihydroxy-4'-methoxyisoflavanone |
| 0.217 | [Anthocyanidin]-A(2OH)-B(3OH) | Anthocyanidin | Delphinidin |
| 0.217 | [Anthocyanidin]-A(3OH)-B(2OH) | Anthocyanidin | 6-Hydroxycyanidin |
| 0.167 | [Chalcone]-A(2OH)-B(2OH, 1OMe) | Chalcone | 3,4,3',4'-Tetrahydroxy-2-methoxychalcone |
| 0.143 | [Dihydroflavonol]-A(2OH)-B(1OMe) | Dihydroflavonol | Aromadendrin 4'-methyl ether |
| 0.105 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | 3,5,8-Trihydroxy-7-methoxyflavanone |
| 0.105 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 5-methyl ether |
| 0.105 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 7-methyl ether |
| 0.100 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OMe) | Flavan 3-ol | Afzelechin 5,4'-dimethyl ether |
| 0.095 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin 3-methyl ether |
| 0.091 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | Alnustinol |
| 0.083 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Okanin 4-methyl ether |
| 0.083 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 4,2',4',6'-Tetrahydroxy-3-methoxychalcone |
| 0.077 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Alysifolinone |
| 0.077 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Homoeriodictyol |
| 0.077 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Hesperetin |
| 0.077 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-methoxyflavanone |
| 0.077 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,8,2'-Trihydroxy-7-methoxyflavanone |
| 0.077 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-8-methoxyflavanone |
| 0.077 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxybutin |
| 0.077 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 7,2',6'-Trihydroxy-5-methoxyflavanone |
| 0.077 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Scutamoenin |
| 0.077 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 5,2',3'-Trihydroxy-7-methoxyflavanone |
| 0.077 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Eriodictyol 5-methyl ether |
| 0.077 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Sternbin |
| 0.077 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Artocarpanone |
| 0.053 | [Dihydroflavonol (3-OMe)]-A(1OH)-B(2OH) | Dihydroflavonol | 3-O-Methyl-2,3-trans-fustin |
| 0.048 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Isoflavan | 5-Methoxyvestitol |
| 0.048 | [Isoflavan]-A(2OMe)-B(2OH) | Isoflavan | Lotisoflavan |
| 0.048 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Sphaerosin |
| 0.048 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | 4',7-Dihydroxy-2',3'-dimethoxyisoflavan (+-) |
| 0.048 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Mucronulatol |
| 0.048 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Isomucronulatol |
| 0.048 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Methoxyvestitol |
| 0.040 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OH) | 2'-Hydroxychalcone | Lanceoletin |
| 0.037 | [Flavanone]-A(3OH, 1OMe)-B(none) | Flavanone | Oresbiusin |
| 0.037 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 4'-O-Methylcarthamidin |
| 0.037 | [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 | [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 |
| Level: 3, プリカーサーm/z: 257.04346 |
| Splash: splash10-004i-0090000000-9e8fd9c239f5a2d6aea2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 229.12 | 6860 | 28 | 1000 |
| 201.14 | 542 | 56 | 79 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.143 | [Pterocarpan]-A(1OH)-B(1OH) | Pterocarpan | Demethylmedicarpin |
| 0.100 | [Isoflavanone]-A(1OH)-B(1OH) | Isoflavanone | Dihydrodaidzein |
| 0.077 | [2'-Hydroxychalcone]-A(1OH)-B(2OH) | 2'-Hydroxychalcone | 3,4,2'-Trihydroxychalcone |
| 0.077 | [2'-Hydroxychalcone]-A(2OH)-B(1OH) | 2'-Hydroxychalcone | Isoliquiritigenin |
| 0.077 | [2'-Hydroxychalcone]-A(2OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',5'-Trihydroxychalcone |
| 0.077 | [2'-Hydroxychalcone]-A(2OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3'-Trihydroxychalcone |
| 0.071 | [Flavanone]-A(1OH)-B(1OH) | Flavanone | Liquiritigenin |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(none) | Dihydrochalcone | 2'-Hydroxy-4'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(none) | Dihydrochalcone | 2'-Methoxy-4'-hydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(none)-B(1OH, 1OMe) | Dihydrochalcone | 2-Methoxy-4-hydroxydihydrochalcone |
| 0.000 | [Dihydroflavonol]-A(1OH)-B(none) | Dihydroflavonol | 3,7-dihydroxyflavanone |
| 0.000 | [Flavanone]-A(2OH)-B(none) | Flavanone | Pinocembrin |
| 0.000 | [2'-Hydroxychalcone]-A(3OH)-B(none) | 2'-Hydroxychalcone | 2',4',6'-Trihydroxychalcone |
| 0.000 | [Aurone]-A(none)-B(1Cl) | Aurone | 4'-Chloroaurone |
| 0.000 | [UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone]-A(1OMe)-B(none) | UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone | Lucidone |
| 0.000 | [Flavan]-A(1OH)-B(1OMe) | Flavan | Broussin |
| 0.000 | [Flavan]-A(1OMe)-B(1OH) | Flavan | 4'-Hydroxy-7-methoxyflavan |
| 0.000 | [Flavan]-A(1OH, 1Methyl)-B(1OH) | Flavan | 7,4'-Dihydroxy-8-methylflavan |
| 0.000 | [Flavan]-A(1OH, 1OMe)-B(none) | Flavan | 7-Hydroxy-5-methoxyflavan |
| 0.000 | [isoflavene]-A(1OH)-B(2OH) | isoflavene | Haginin D |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(1OH, 1OMe) | 2-Phenylbenzofuran | 6-Demethylvignafuran |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(1OH, 1OMe) | 2-Phenylbenzofuran | Centrolobofuran |
| 0.000 | [Dalbergiquinol]-A(2OH, 1OMe)-B(none) | Dalbergiquinol | Obtusaquinol |