ピーク情報
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＜アルコール飲料類＞（醸造酒類） ぶどう酒 赤
pos
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| Peak #3117 MN MID: SE117_S160111_M90 |
| m/z: 321.06044, RT: 42.56, 強度: 16792, ログ強度: 0.84, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 7 |
| DB検索結果: (9 names) (+)- 2,4,6-Trihydroxy-2-[(3,4,5-trihydroxyphenyl)methyl]-3(2H)-benzofuranone;Alternarian acid;1,3,6,8-Tetrahydroxy-2,7-dimethoxyxanthone;2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl;Fusarubinoi... |
| DBごとのヒット数: ALL 9 KG 3 KN 5 HM 1 |
| FlavonoidSearch最大スコア MS2: 0.571, MS3: 0.429 |
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 |
|---|---|---|---|---|
| C15H12O8 | 320.05322 | -0.180 | Amaronol A | FlavonoidViewer: FL1BAGNS0001 KNApSAcK: C00014659 LipidMAPS: LMPK12130074 |
| C15H12O8 | 320.05322 | -0.180 | Alternarian acid | KNApSAcK: C00047716 |
| C15H12O8 | 320.05322 | -0.180 | 1,3,6,8-Tetrahydroxy-2,7-dimethoxyxanthone | KNApSAcK: C00033515 |
| C15H12O8 | 320.05322 | -0.180 | 2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl | KEGG: C18348 |
| C15H12O8 | 320.05322 | -0.180 | Fusarubinoic acid | KNApSAcK: C00049164 |
| C15H12O8 | 320.05322 | -0.180 | 2,3-Dihydrogossypetin | KEGG: C03052 |
| C15H12O8 | 320.05322 | -0.180 | (2S)-4,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-one | HMDB: HMDB0255326 |
| C15H12O8 | 320.05322 | -0.180 | Dihydromyricetin | FlavonoidViewer: FL4DAGNS0001, FL4DAGNS0002 HMDB: HMDB0030835 KEGG: C02906 KNApSAcK: C00000938, C00014369 LipidMAPS: LMPK12113405 |
| C15H12O8 | 320.05322 | -0.180 | Ethyl brevifolincarboxylate | HMDB: HMDB0303706 KNApSAcK: C00052901 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 321.05994 |
| Splash: splash10-0udi-0749000000-3520c51a17fdfe46a084 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 303.04 | 36438 | 18 | 1000 |
| 152.90 | 22805 | 168 | 625 |
| 275.16 | 19587 | 46 | 537 |
| 194.99 | 6528 | 126 | 179 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.571 | [Dihydroflavonol]-A(2OH)-B(3OH) | Dihydroflavonol | 3,5,7,3',4',5'-Hexahydroxyflavanone |
| 0.500 | [Flavan 3-ol]-A(2OH)-B(2OH, 1OMe) | Flavan 3-ol | Gallocatechin 4'-methyl ether |
| 0.143 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavone | 5-Hydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavone |
| 0.133 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Erythrinin A |
| 0.133 | [Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Corylin |
| 0.125 | [Flavan 3-ol]-A(2OH, 1OMe)-B(2OH) | Flavan 3-ol | 3,5,7,3',4'-Pentahydroxy-6-methoxyflavan |
| 0.000 | [Auronol]-A(2OH)-B(3OH) | Auronol | Amaronol A |
| 0.000 | [alpha-Hydroxychalcone]-A(4OH)-B(2OH) | alpha-Hydroxychalcone | 3,4,2',3',4',6',alpha-Heptahydroxychalcone |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OH)-B(2OH, 1OMe) | Dihydrochalcone beta-ol | Gliricidol |
| 0.000 | [3-substituted Flavanone (3-Methyl)]-A(2OH, 1Cl)-B(1OH) | 3-substituted Flavanone | 8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone |
| 0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe)-B(2OH) | Flavan 3,4-diol | Mesquitol-4alpha-ol 8-methyl ether |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH, 1OMe) | Flavan 3,4-diol | Catechin-4-ol 3'-methyl ether |
| 0.000 | [Flav-3-ene]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flav-3-ene | Hildgardtene |
| 0.000 | [Pterocarpene]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpene | Anhydrotuberosin |
| 0.000 | [Coumestan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Coumestan | Erosnin |
| Level: 3, プリカーサーm/z: 303.04437 |
| Splash: splash10-004i-0090000000-e682c591c5ea938e955d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 275.09 | 26530 | 28 | 1000 |
| 219.02 | 2353 | 84 | 88 |
| 261.03 | 2160 | 42 | 81 |
| 285.11 | 1509 | 18 | 56 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.429 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin 3-methyl ether |
| 0.375 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | Alnustinol |
| 0.375 | [Dihydroflavonol]-A(2OH)-B(1OMe) | Dihydroflavonol | Aromadendrin 4'-methyl ether |
| 0.300 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OH) | 2'-Hydroxychalcone | Lanceoletin |
| 0.300 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Okanin 4-methyl ether |
| 0.300 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 4,2',4',6'-Tetrahydroxy-3-methoxychalcone |
| 0.250 | [Flavone]-A(3OH)-B(2OH) | Flavone | 6-Hydroxyluteolin |
| 0.250 | [Flavone]-A(3OH)-B(2OH) | Flavone | Hypolaetin |
| 0.250 | [Flavone]-A(2OH)-B(3OH) | Flavone | Tricetin |
| 0.250 | [Flavone]-A(2OH)-B(3OH) | Flavone | Isoetin |
| 0.250 | [Anthocyanidin]-A(2OH)-B(3OH) | Anthocyanidin | Delphinidin |
| 0.250 | [Anthocyanidin]-A(3OH)-B(2OH) | Anthocyanidin | 6-Hydroxycyanidin |
| 0.250 | [Flavanone]-A(3OH, 1OMe)-B(none) | Flavanone | Oresbiusin |
| 0.250 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-methoxyflavanone |
| 0.250 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,8,2'-Trihydroxy-7-methoxyflavanone |
| 0.250 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-8-methoxyflavanone |
| 0.250 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Alysifolinone |
| 0.250 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Homoeriodictyol |
| 0.250 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Hesperetin |
| 0.250 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxybutin |
| 0.250 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 7,2',6'-Trihydroxy-5-methoxyflavanone |
| 0.250 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Scutamoenin |
| 0.250 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 5,2',3'-Trihydroxy-7-methoxyflavanone |
| 0.250 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Eriodictyol 5-methyl ether |
| 0.250 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Sternbin |
| 0.250 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Artocarpanone |
| 0.250 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 4'-O-Methylcarthamidin |
| 0.250 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 5,7,8-Trihydroxy-4'-methoxyflavanone |
| 0.250 | [Chalcone]-A(2OH)-B(2OH, 1OMe) | Chalcone | 3,4,3',4'-Tetrahydroxy-2-methoxychalcone |
| 0.235 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | 3,5,7,2',5'-Pentahydroxyflavone |
| 0.235 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Viscidulin I |
| 0.231 | [Isoflavone]-A(3OH)-B(2OH) | Isoflavone | 5,7,8,2',4'-Pentahydroxyisoflavone |
| 0.222 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | 6-Hydroxykaempferol |
| 0.222 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | Herbacetin |
| 0.222 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Rhynchosin |
| 0.222 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Melanoxetin |
| 0.222 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Quercetin |
| 0.222 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Morin |
| 0.222 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | Robinetin |
| 0.222 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | 3,7,2',3',4'-Pentahydroxyflavone |
| 0.182 | [Isoflavanone]-A(1OH)-B(2OH, 1OMe) | Isoflavanone | 7,2',3'-Trihydroxy-4'-methoxyisoflavanone |
| 0.182 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Ferreirin |
| 0.182 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Isoferreirin |
| 0.167 | [Dihydroflavonol (3-OMe)]-A(1OH)-B(2OH) | Dihydroflavonol | 3-O-Methyl-2,3-trans-fustin |
| 0.143 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | 3,5,8-Trihydroxy-7-methoxyflavanone |
| 0.143 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 5-methyl ether |
| 0.143 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 7-methyl ether |
| 0.125 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OMe) | Flavan 3-ol | Afzelechin 5,4'-dimethyl ether |
| 0.000 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Isoflavan | 5-Methoxyvestitol |
| 0.000 | [Isoflavan]-A(2OMe)-B(2OH) | Isoflavan | Lotisoflavan |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Sphaerosin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | 4',7-Dihydroxy-2',3'-dimethoxyisoflavan (+-) |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Mucronulatol |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Isomucronulatol |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Methoxyvestitol |
| 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 |