ピーク情報
|
リーフレタスグリーン
pos
|
| Peak #6805 MN MID: SE198_S12_M90 |
| m/z: 479.08247, RT: 44.08, 強度: 921147, ログ強度: 2.47, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (14 names) Quercetin 7-glucuronide;8-Hydroxyluteolin 8-glucuronide;6-Hydroxyluteolin 7-glucuronide;6-Hydroxyluteolin 6-glucuronide;Quercetin-4'-glucuronide;Hypolaetin 7-O-glucuronide;Quercetin 5-glucuronide;2-(3... |
| DBごとのヒット数: ALL 12 KN 11 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.700 |
|
安定同位体ラベル実験で見積もられた原子数:
N: 0
S: 0
|
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 |
|---|---|---|---|---|
| C21H18O13 | 478.07474 | 0.947 | Quercetin 7-glucuronide | FlavonoidViewer: FL5FACGS0016 KNApSAcK: C00005384 LipidMAPS: LMPK12112181 |
| C21H18O13 | 478.07474 | 0.947 | 8-Hydroxyluteolin 8-glucuronide | FlavonoidViewer: FL3FFCGS0004 KNApSAcK: C00004420 LipidMAPS: LMPK12111373 |
| C21H18O13 | 478.07474 | 0.947 | 6-Hydroxyluteolin 7-glucuronide | FlavonoidViewer: FL3FECGS0013 KNApSAcK: C00004388 LipidMAPS: LMPK12111186 |
| C21H18O13 | 478.07474 | 0.947 | 6-Hydroxyluteolin 6-glucuronide | FlavonoidViewer: FL3FECGS0006 KNApSAcK: C00004381 LipidMAPS: LMPK12111179 |
| C21H18O13 | 478.07474 | 0.947 | Quercetin 4'-glucuronide | FlavonoidViewer: FL5FACGS0064 HMDB: HMDB0029214 KNApSAcK: C00013836 LipidMAPS: LMPK12112229 |
| C21H18O13 | 478.07474 | 0.947 | Hypolaetin 7-O-glucuronide | KNApSAcK: C00035656 |
| C21H18O13 | 478.07474 | 0.947 | Quercetin 5-glucuronide | FlavonoidViewer: FL5FACGS0062 KNApSAcK: C00013834 LipidMAPS: LMPK12112227 |
| C21H18O13 | 478.07474 | 0.947 | Quercetin 3-galacturonide | FlavonoidViewer: FL5FACGS0007, FL5FACGS0008 HMDB: HMDB0029212 KNApSAcK: C00005375, C00005376 LipidMAPS: LMPK12112172, LMPK12112173 |
| C21H18O13 | 478.07474 | 0.947 | Mingjinianuronide A | KNApSAcK: C00051612 |
| C21H18O13 | 478.07474 | 0.947 | Isoetin 4'-glucuronide | FlavonoidViewer: FL3FALGS0007 KNApSAcK: C00013711 LipidMAPS: LMPK12110888 |
| C21H18O13 | 478.07474 | 0.947 | Herbacetin 8-glucuronide | FlavonoidViewer: FL5FFAGS0008 KNApSAcK: C00005343 LipidMAPS: LMPK12113122 |
| C21H18O13 | 478.07474 | 0.947 | Quercetin 3'-O-glucuronide | HMDB: HMDB0041769 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 479.08145 |
| Splash: splash10-0udi-0009000000-2c441a06291468a98612 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 303.09 | 454140 | 176 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavonol | Keyakinin B |
| 0.000 | [Dihydrochalcone]-A(3OH)-B(1OH, 1(C-Prenyl), 1Geranyl) | Dihydrochalcone | 3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydrochalcone |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(3OH) | Flavonol | 8-C-Rhamnosyleuropetin |
| Level: 3, プリカーサーm/z: 303.09207 |
| Splash: splash10-0bvr-0390000000-637660ef28ebc9457a3a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 257.06 | 18538 | 46 | 1000 |
| 229.10 | 11852 | 74 | 639 |
| 285.05 | 11209 | 18 | 604 |
| 164.93 | 9487 | 138 | 511 |
| 247.02 | 5659 | 56 | 305 |
| 136.99 | 3272 | 166 | 176 |
| 152.93 | 2769 | 150 | 149 |
| 274.06 | 2637 | 29 | 142 |
| 275.17 | 2578 | 28 | 139 |
| 303.13 | 2301 | -0 | 124 |
| 201.03 | 1477 | 102 | 79 |
| 148.93 | 1294 | 154 | 69 |
| 219.09 | 1279 | 84 | 68 |
| 121.02 | 1162 | 182 | 62 |
| 213.12 | 993 | 90 | 53 |
| 110.86 | 991 | 192 | 53 |
| 162.93 | 981 | 140 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.700 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Rhynchosin |
| 0.700 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Melanoxetin |
| 0.700 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Quercetin |
| 0.700 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Morin |
| 0.700 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | Robinetin |
| 0.700 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | 3,7,2',3',4'-Pentahydroxyflavone |
| 0.650 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | 3,5,7,2',5'-Pentahydroxyflavone |
| 0.650 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Viscidulin I |
| 0.500 | [Flavone]-A(2OH)-B(3OH) | Flavone | Tricetin |
| 0.500 | [Flavone]-A(2OH)-B(3OH) | Flavone | Isoetin |
| 0.478 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | 6-Hydroxykaempferol |
| 0.478 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | Herbacetin |
| 0.421 | [Flavone]-A(3OH)-B(2OH) | Flavone | 6-Hydroxyluteolin |
| 0.421 | [Flavone]-A(3OH)-B(2OH) | Flavone | Hypolaetin |
| 0.350 | [Anthocyanidin]-A(2OH)-B(3OH) | Anthocyanidin | Delphinidin |
| 0.350 | [Anthocyanidin]-A(3OH)-B(2OH) | Anthocyanidin | 6-Hydroxycyanidin |
| 0.333 | [Isoflavone]-A(3OH)-B(2OH) | Isoflavone | 5,7,8,2',4'-Pentahydroxyisoflavone |
| 0.316 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Ferreirin |
| 0.316 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Isoferreirin |
| 0.250 | [Isoflavanone]-A(1OH)-B(2OH, 1OMe) | Isoflavanone | 7,2',3'-Trihydroxy-4'-methoxyisoflavanone |
| 0.227 | [Chalcone]-A(2OH)-B(2OH, 1OMe) | Chalcone | 3,4,3',4'-Tetrahydroxy-2-methoxychalcone |
| 0.227 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Alysifolinone |
| 0.227 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Homoeriodictyol |
| 0.227 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Hesperetin |
| 0.174 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxybutin |
| 0.174 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 7,2',6'-Trihydroxy-5-methoxyflavanone |
| 0.174 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Scutamoenin |
| 0.174 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 5,2',3'-Trihydroxy-7-methoxyflavanone |
| 0.174 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Eriodictyol 5-methyl ether |
| 0.174 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Sternbin |
| 0.174 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Artocarpanone |
| 0.150 | [Dihydroflavonol]-A(2OH)-B(1OMe) | Dihydroflavonol | Aromadendrin 4'-methyl ether |
| 0.136 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Okanin 4-methyl ether |
| 0.136 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 4,2',4',6'-Tetrahydroxy-3-methoxychalcone |
| 0.125 | [Flavanone]-A(3OH, 1OMe)-B(none) | Flavanone | Oresbiusin |
| 0.125 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-methoxyflavanone |
| 0.125 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,8,2'-Trihydroxy-7-methoxyflavanone |
| 0.125 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-8-methoxyflavanone |
| 0.125 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 4'-O-Methylcarthamidin |
| 0.125 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 5,7,8-Trihydroxy-4'-methoxyflavanone |
| 0.111 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | 3,5,8-Trihydroxy-7-methoxyflavanone |
| 0.111 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 5-methyl ether |
| 0.111 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 7-methyl ether |
| 0.105 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OMe) | Flavan 3-ol | Afzelechin 5,4'-dimethyl ether |
| 0.100 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin 3-methyl ether |
| 0.095 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | Alnustinol |
| 0.087 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OH) | 2'-Hydroxychalcone | Lanceoletin |
| 0.056 | [Dihydroflavonol (3-OMe)]-A(1OH)-B(2OH) | Dihydroflavonol | 3-O-Methyl-2,3-trans-fustin |
| 0.050 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Isoflavan | 5-Methoxyvestitol |
| 0.050 | [Isoflavan]-A(2OMe)-B(2OH) | Isoflavan | Lotisoflavan |
| 0.050 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Sphaerosin |
| 0.050 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | 4',7-Dihydroxy-2',3'-dimethoxyisoflavan (+-) |
| 0.050 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Mucronulatol |
| 0.050 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Isomucronulatol |
| 0.050 | [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 |