ピーク情報
|
ポプラ, 幼植物, 地上部
pos
|
| Peak #2176 MN MID: SE205_S08_M90 |
| m/z: 641.13453, RT: 34.44, 強度: 1665940, ログ強度: 2.62, 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: (5 names) Quercetin 3-glucosyl-(1->2)-glucuronide;Herbacetin 3-glucuronide-8-glucoside;Quercetin 3-glucuronide-7-glucoside;Quercetin 3-glucoside-7-glucuronide;Nelumboside |
| DBごとのヒット数: ALL 5 KN 4 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.545 |
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 |
|---|---|---|---|---|
| C27H28O18 | 640.12756 | -0.483 | Quercetin 3-glucosyl-(1->2)-glucuronide | FlavonoidViewer: FL5FACGS0071 KNApSAcK: C00013843 LipidMAPS: LMPK12112236 |
| C27H28O18 | 640.12756 | -0.483 | Herbacetin 3-glucuronide-8-glucoside | FlavonoidViewer: FL5FFAGS0010 KNApSAcK: C00005346 LipidMAPS: LMPK12113124 |
| C27H28O18 | 640.12756 | -0.483 | Quercetin 3-glucuronide-7-glucoside | FlavonoidViewer: FL5FACGS0036 KNApSAcK: C00005433 LipidMAPS: LMPK12112201 |
| C27H28O18 | 640.12756 | -0.483 | Quercetin 3-glucoside-7-glucuronide | FlavonoidViewer: FL5FACGL0017 KNApSAcK: C00005429 LipidMAPS: LMPK12112102 |
| C27H28O18 | 640.12756 | -0.483 | Nelumboside | HMDB: HMDB0038464 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 641.13379 |
| Splash: splash10-0gb9-0007900000-37b7156203db8af355e1 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 465.05 | 486974 | 176 | 1000 |
| 303.07 | 434707 | 338 | 892 |
| 479.00 | 27698 | 162 | 56 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 465.04663 |
| Splash: splash10-0udi-0009000000-5d6dfe9b705427458d9c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 303.04 | 530008 | 162 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(3OH) | Flavone | Isoaffinetin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(3OH) | Flavone | Tricetin 8-C-glucopyranoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(3OH) | Flavone | 6-C-beta-D-Glucopyranosylisoetin |
| 0.000 | [Flavonol]-A(2OH, 1(C-Glu))-B(2OH) | Flavonol | 6-C-Glucosylquercetin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavanone | Dihydroscoparin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Glu))-B(1OH) | Dihydroflavonol | Keyakinol |
| 0.000 | [Flavonol]-A(2OH, 1(C-Glu))-B(2OH) | Flavonol | 8-C-Glucosylquercetin |
| 0.000 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Euchrenone b4 |
| Level: 3, プリカーサーm/z: 303.07129 |
| Splash: splash10-0r2i-0491000000-a34729436505363d4d07 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 257.01 | 28080 | 46 | 1000 |
| 164.97 | 16057 | 138 | 571 |
| 229.03 | 15403 | 74 | 548 |
| 285.09 | 13637 | 18 | 485 |
| 303.11 | 9501 | -0 | 338 |
| 136.93 | 8104 | 166 | 288 |
| 247.04 | 7324 | 56 | 260 |
| 152.96 | 5559 | 150 | 197 |
| 274.04 | 4673 | 29 | 166 |
| 201.03 | 2587 | 102 | 92 |
| 149.02 | 2258 | 154 | 80 |
| 163.07 | 2018 | 140 | 71 |
| 275.00 | 1924 | 28 | 68 |
| 126.95 | 1713 | 176 | 60 |
| 160.97 | 1534 | 142 | 54 |
| 194.96 | 1476 | 108 | 52 |
| 110.98 | 1405 | 192 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.545 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Rhynchosin |
| 0.545 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Melanoxetin |
| 0.545 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Quercetin |
| 0.545 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Morin |
| 0.500 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | 3,5,7,2',5'-Pentahydroxyflavone |
| 0.500 | [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(1OH)-B(3OH) | Flavonol | Robinetin |
| 0.478 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | 3,7,2',3',4'-Pentahydroxyflavone |
| 0.421 | [Flavone]-A(3OH)-B(2OH) | Flavone | 6-Hydroxyluteolin |
| 0.421 | [Flavone]-A(3OH)-B(2OH) | Flavone | Hypolaetin |
| 0.308 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | 6-Hydroxykaempferol |
| 0.308 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | Herbacetin |
| 0.286 | [Chalcone]-A(2OH)-B(2OH, 1OMe) | Chalcone | 3,4,3',4'-Tetrahydroxy-2-methoxychalcone |
| 0.286 | [Anthocyanidin]-A(2OH)-B(3OH) | Anthocyanidin | Delphinidin |
| 0.286 | [Anthocyanidin]-A(3OH)-B(2OH) | Anthocyanidin | 6-Hydroxycyanidin |
| 0.273 | [Isoflavone]-A(3OH)-B(2OH) | Isoflavone | 5,7,8,2',4'-Pentahydroxyisoflavone |
| 0.250 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Ferreirin |
| 0.250 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Isoferreirin |
| 0.190 | [Isoflavanone]-A(1OH)-B(2OH, 1OMe) | Isoflavanone | 7,2',3'-Trihydroxy-4'-methoxyisoflavanone |
| 0.174 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Alysifolinone |
| 0.174 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Homoeriodictyol |
| 0.174 | [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 |
| 0.111 | [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 |
| 0.080 | [Flavanone]-A(3OH, 1OMe)-B(none) | Flavanone | Oresbiusin |
| 0.080 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-methoxyflavanone |
| 0.080 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,8,2'-Trihydroxy-7-methoxyflavanone |
| 0.080 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-8-methoxyflavanone |
| 0.080 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 4'-O-Methylcarthamidin |
| 0.080 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 5,7,8-Trihydroxy-4'-methoxyflavanone |
| 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 |