ピーク情報
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パセリ 葉
pos
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| Peak #6498 MN MID: SE61_S21_M90 |
| m/z: 697.16188, RT: 46.31, 強度: 7753, ログ強度: 0.30, 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: (10 names) Cyanidin 3-(6''-malonylglucoside)-5-glucoside;Cyanidin 3-(6''-malonyllaminaribioside);Kaempferol 3-(6''-malonylglucoside)-7-glucoside;Luteolin 7-O-(6''-O-malonyl)-beta-D-diglucoside;Delphinidin 3-(2-r... |
| DBごとのヒット数: ALL 8 KN 7 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.333 |
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 |
|---|---|---|---|---|
| C30H32O19 | 696.15378 | 1.178 | Kaempferol 3-(6''-malonylglucoside)-7-glucoside | FlavonoidViewer: FL5FAAGL0084 KNApSAcK: C00005890 LipidMAPS: LMPK12111806 |
| C30H32O19 | 696.15378 | 1.178 | Cyanidin 3-(6''-malonyllaminaribioside) | FlavonoidViewer: [1]FL7AACGL0034 HMDB: [1]HMDB0301668 KNApSAcK: [1]C00006804 LipidMAPS: [1]LMPK12010143 |
| C30H32O19 | 696.15378 | 1.178 | Cyanidin 3-(6''-malonylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AACGL0044 KNApSAcK: [1]C00006815 LipidMAPS: [1]LMPK12010153 |
| C30H32O19 | 696.15378 | 1.178 | Luteolin 7-O-(6''-O-malonyl)-beta-D-diglucoside | HMDB: HMDB0303154 |
| C30H32O19 | 696.15378 | 1.178 | Delphinidin 3-(2-rhamnosyl-6-malonylglucoside) | FlavonoidViewer: [1]FL7AAGGL0043 KNApSAcK: [1]C00014789 LipidMAPS: [1]LMPK12010319 |
| C30H32O19 | 696.15378 | 1.178 | Cyanidin 3-(6-malonylglucoside)-8-C-glucoside | FlavonoidViewer: [1]FL7AACCL0001 KNApSAcK: C00014765 |
| C30H32O19 | 696.15378 | 1.178 | Quercetin 3-(6''-malonylglucoside)-7-rhamnoside | FlavonoidViewer: FL5FACGL0065 KNApSAcK: C00005982 LipidMAPS: LMPK12112150 |
| C30H32O19 | 696.15378 | 1.178 | Quercetin 3-(6''-malonylneohesperidoside) | FlavonoidViewer: FL5FACGS0100 KNApSAcK: C00013872 LipidMAPS: LMPK12110570 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 697.16187 |
| Splash: splash10-014i-0009020000-ab3536d9aa763efa1b9c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 317.12 | 9606 | 380 | 1000 |
| 565.18 | 3383 | 132 | 352 |
| 611.06 | 706 | 86 | 73 |
| 302.06 | 677 | 395 | 70 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(2-Hydroxybenzyl), 1(3x2-hydroxybenzyl))-B(none) | Dihydrochalcone | 2',4'-Dihydroxy-6'-methoxy-3'-(2-hydroxybenzyl)-5'-(3 x 2-hydroxybenzyl)dihydrochalcone |
| Level: 3, プリカーサーm/z: 565.16064 |
| Splash: splash10-014i-0009210000-9df328d74c1fb1c10000 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 317.04 | 1494 | 248 | 1000 |
| 479.13 | 413 | 86 | 276 |
| 547.09 | 162 | 18 | 108 |
| 521.20 | 95 | 44 | 63 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH) | Flavone | Vicenin 1 |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | Schaftoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH) | Flavone | Isocorymboside |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl), 1(C-Galactosyl))-B(1OH) | Flavone | Neocorymboside |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH) | Flavone | 6-C-Xylopyranosyl-8-C-galactopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH) | Flavone | 6-C-Galactopyranosyl-8-C-xylopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH) | Flavone | Vicenin 3 |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | Isoschaftoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | Neoschaftoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | Neoisoschaftoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Apiofuranosyl))-B(1OH) | Flavone | 6-C-beta-D-Glucopyranosyl-8-C-beta-D-apiofuranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl), 1(C-Galactosyl))-B(1OH) | Flavone | Corymboside |
| Level: 3, プリカーサーm/z: 317.11066 |
| Splash: splash10-0udi-0109000000-1ee683dbf00c0f11c5dc |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 302.11 | 1136 | 15 | 1000 |
| 152.99 | 207 | 164 | 182 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.333 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Pterocarpan | 2,8-Dihydroxy-3,9-dimethoxypterocarpan |
| 0.333 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Pterocarpan | Mucronucarpan |
| 0.333 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Pterocarpan | Nissolicarpin |
| 0.333 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Pterocarpan | Melilotocarpan D |
| 0.333 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Pterocarpan | Melilotocarpan E |
| 0.250 | [Flavone]-A(2OH)-B(2OH, 1OMe) | Flavone | Tricetin 3'-methyl ether |
| 0.250 | [Flavone]-A(2OH)-B(2OH, 1OMe) | Flavone | Tricetin 4'-methyl ether |
| 0.250 | [Flavone]-A(1OH, 1OMe)-B(3OH) | Flavone | Tricetin 7-methyl ether |
| 0.250 | [Flavone]-A(3OH)-B(1OH, 1OMe) | Flavone | Nodifloretin |
| 0.250 | [Flavone]-A(3OH)-B(1OH, 1OMe) | Flavone | 6-Hydroxyluteolin 4'-methyl ether |
| 0.250 | [Flavone]-A(2OH, 1OMe)-B(2OH) | Flavone | Carajuflavone |
| 0.250 | [Flavone]-A(2OH, 1OMe)-B(2OH) | Flavone | Nepetin |
| 0.250 | [Flavone]-A(2OH, 1OMe)-B(2OH) | Flavone | Pedalitin |
| 0.250 | [Flavone]-A(3OH)-B(1OH, 1OMe) | Flavone | Hypolaetin 3'-methyl ether |
| 0.250 | [Flavone]-A(3OH)-B(1OH, 1OMe) | Flavone | Hypolaetin 4'-methyl ether |
| 0.250 | [Flavone]-A(2OH, 1OMe)-B(2OH) | Flavone | Onopordin |
| 0.222 | [2'-Hydroxychalcone]-A(3OH)-B(2OMe) | 2'-Hydroxychalcone | Okanin 3,4-dimethyl ether |
| 0.182 | [Flavanone]-A(2OH)-B(2OMe) | Flavanone | Eriodictyol 3',4'-dimethyl ether |
| 0.143 | [Flavonol]-A(1OH, 1OMe)-B(2OH) | Flavonol | 7-Methoxy-3,6,3',4'-tetrahydroxyflavone |
| 0.143 | [Flavonol]-A(1OH, 1OMe)-B(2OH) | Flavonol | 3,7,3',4'-Tetrahydroxy-8-methoxyflavone |
| 0.143 | [Flavonol]-A(1OH, 1OMe)-B(2OH) | Flavonol | Azaleatin |
| 0.143 | [Flavonol]-A(1OH, 1OMe)-B(2OH) | Flavonol | Rhamnetin |
| 0.143 | [Flavonol]-A(2OH)-B(1OH, 1OMe) | Flavonol | 3'-O-Methylmelanoxetin |
| 0.143 | [Flavonol]-A(2OH)-B(1OH, 1OMe) | Flavonol | Isorhamnetin |
| 0.143 | [Flavonol]-A(2OH)-B(1OH, 1OMe) | Flavonol | Tamarixetin |
| 0.143 | [Flavonol]-A(2OH)-B(1OH, 1OMe) | Flavonol | Milimorin |
| 0.100 | [Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Isoflavanone | Cajanol |
| 0.100 | [Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Isoflavanone | 7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone |
| 0.100 | [2'-Hydroxychalcone]-A(3OH, 2OMe)-B(none) | 2'-Hydroxychalcone | 3',4',6'-Trihydroxy-2',5'-dimethoxychalcone |
| 0.100 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 2',4',4-Trihydroxy-3',3-methoxychalcone |
| 0.100 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 3,4',6'-Trihydroxy-4,2'-dimethoxychalcone |
| 0.100 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 4,2',6'-Trihydroxy-3,4'-dimethoxychalcone |
| 0.100 | [Isoflavanone]-A(2OH)-B(2OMe) | Isoflavanone | Homoferreirin |
| 0.083 | [Flavanone]-A(1OH, 2OMe)-B(1OH) | Flavanone | 5,4'-Dihydroxy-6,7-dimethoxyflavanone |
| 0.083 | [Flavanone]-A(1OH, 2OMe)-B(1OH) | Flavanone | Dihydroskullcap flavone I |
| 0.083 | [Flavanone]-A(1OH, 2OMe)-B(1OH) | Flavanone | 5,4'-Dihydroxy-7,8-dimethoxyflavanone |
| 0.083 | [Flavanone]-A(2OH, 2OMe)-B(none) | Flavanone | Didymocarpin A |
| 0.083 | [Flavanone]-A(2OH, 1OMe)-B(1OMe) | Flavanone | 7,8-Dihydroxy-6,4'-dimethoxyflavanone |
| 0.083 | [Flavanone]-A(2OH, 1OMe)-B(1OMe) | Flavanone | 5,7-Dihydroxy-8,2'-dimethoxyflavanone |
| 0.083 | [Flavanone]-A(2OH, 1OMe)-B(1OMe) | Flavanone | 5,7-Dihydroxy-8,4'-dimethoxyflavanone |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 7,4'-Dihydroxy-8,3'-dimethoxyflavanone |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-7,5'-dimethoxyflavanone |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-7,2'-dimethoxyflavanone |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | Eriodictyol 5,4'-dimethyl ether |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | Eriodictyol 7,3'-dimethyl ether |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | Persicogenin |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-7,4'-dimethoxyflavanone |
| 0.077 | [Anthocyanidin]-A(2OH)-B(2OH, 1OMe) | Anthocyanidin | Petunidin |
| 0.077 | [Anthocyanidin]-A(1OH, 1OMe)-B(3OH) | Anthocyanidin | Pulchellidin |
| 0.067 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | Vogeletin |
| 0.067 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | 6-Methoxykaempferol |
| 0.067 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | 3,5,6,4'-Tetrahydroxy-7-methoxyflavone |
| 0.067 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | 3,5,8,2'-Tetrahydroxy-7-methoxyflavone |
| 0.067 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | Pollenitin |
| 0.067 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | Sexangularetin |
| 0.067 | [Flavonol]-A(3OH)-B(1OMe) | Flavonol | 3,5,6,7-Tetrahydroxy-4'-methoxyflavone |
| 0.067 | [Flavonol]-A(3OH)-B(1OMe) | Flavonol | Herbacetin 4'-methyl ether |
| 0.056 | [Isoflavone]-A(2OH)-B(2OH, 1OMe) | Isoflavone | Junipegenin A |
| 0.056 | [Isoflavone]-A(3OH, 1OMe)-B(1OH) | Isoflavone | 5,6,7,4'-Tetrahydroxy-8-methoxyisoflavone |
| 0.056 | [Isoflavone]-A(3OH)-B(1OH, 1OMe) | Isoflavone | 5,6,7,4'-Tetrahydroxy-3'-methoxyisoflavone |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(1OMe)-B(2OH) | Dihydroflavonol | Fustin 3,7-dimethyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe) | Dihydroflavonol | Aromadendrin 7,4'-dimethyl ether |
| 0.000 | [Dihydroflavonol]-A(2OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 5,7-dimethyl ether |
| 0.000 | [Dihydrochalcone]-A(1OH, 2OMe)-B(1OMe) | Dihydrochalcone | Flavokawin A |
| 0.000 | [Dihydrochalcone]-A(none)-B(1OH, 3OMe) | Dihydrochalcone | 2-Hydroxy-3,4,6-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(none)-B(1OH, 3OMe) | Dihydrochalcone | 2-Hydroxy-4,5,6-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OMe)-B(1OH) | Dihydrochalcone | 4-Hydroxy-2',4',6'-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(3OMe) | Dihydrochalcone | Loureirin B |
| 0.000 | [Dihydrochalcone]-A(1OH, 3OMe)-B(none) | Dihydrochalcone | 2'-Hydroxy-3',4',6'-trimethoxydihydrochalcone |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 2OMe) | Pterocarpan | Philenopteran |
| 0.000 | [Isoflavanone]-A(1OH)-B(1OH, 2OMe) | Isoflavanone | 7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone |
| 0.000 | [Isoflavanone]-A(1OH)-B(1OH, 2OMe) | Isoflavanone | Violanone |
| 0.000 | [Isoflavanone]-A(1OH)-B(1OH, 2OMe) | Isoflavanone | Lespedeol C |
| 0.000 | [Aurone]-A(1OH, 1OMe)-B(3OH) | Aurone | Bracteatin 4-Methyl ether |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 2Methyl)-B(1OH) | Dihydrochalcone | 4,2',6'-Trihydroxy-4'-methoxy-3',5'-dimethyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Dihydrochalcone | 2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OMe)-B(1OMe) | Dihydrochalcone alpha-ol | O-Methylodoratol |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Methyl)-B(2OH) | Flavanone | 7,3',4'-Trihydroxy-5-methoxy-6-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OH, 2Methyl)-B(2OH) | Flavanone | Cyrtominetin |
| 0.000 | [Flavanone]-A(1OH, 1([@@]-Methylenedioxy))-B(2OH) | Flavanone | 5,2',3'-Trihydroxy-6,7-methylenedioxyflavanone |
| 0.000 | [2-Hydroxyflavanone]-A(1OH, 2OMe, 1Methyl)-B(none) | 2-Hydroxyflavanone | Mosloflavanone |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(1OMe) | Dihydroflavonol | 3,5,7-Trihydroxy-4'-methoxy-6-methylflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Dihydroflavonol | 3,7,4'-Trihydroxy-5-methoxy-6-methylflavanone |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(2OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone | Crombeone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH) | Flavonol | 3-Methoxy-6,7,3',4'-tetrahydroxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH) | Flavonol | Transilitin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH) | Flavonol | Quercetin 3-methyl ether |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(2OH) | Flavonol | Pinoquercetin |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(2OH) | Flavonol | 8-C-Methylquercetin |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH) | Flavonol | 5,6,7,4'-Tetrahydroxy-3-methoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH) | Flavonol | 3-Methylherbacetin |
| 0.000 | [Flavan 4-ol]-A(2OMe)-B(1OMe) | Flavan 4-ol | 4-Hydroxy-5,7,4'-trimethoxyflavan |
| 0.000 | [Flavan 4-ol]-A(2OH, 2Methyl)-B(1OMe) | Flavan 4-ol | 4,5,7-Trihydroxy-4'-methoxy-6,8-dimethylflavan |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OMe)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol | 7-O-Methylpeltogynol |
| 0.000 | [Flavan]-A(1OH, 1OMe)-B(2OMe) | Flavan | 2-(3,5-Dimethoxyphenyl)-3,4-dihydro-7-methoxy-2H-1-benzopyran-5-ol |
| 0.000 | [Flavan]-A(1OH, 1OMe)-B(2OMe) | Flavan | 5-Hydroxy-7,3',4'-trimethoxyflavan |
| 0.000 | [Flavan]-A(2OMe)-B(1OH, 1OMe) | Flavan | 4'-Hydroxy-5,7,3'-trimethoxyflavan |
| 0.000 | [Isoflavanone]-A(1OH, 1OMe, 1Methyl)-B(2OH) | Isoflavanone | Ougenin |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Pendulone |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 1OMe)-B(1OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Mucroquinone |
| 0.000 | [isoflavan-4-ol]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(none) | isoflavan-4-ol | Lapathinol |
| 0.000 | [isoflavene]-A(2OH)-B(1OH, 2OMe) | isoflavene | 6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavene |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | 6a,7-Dihydroxymaackiain |
| 0.000 | [12a-Hydroxyrotenone]-A(2OH)-B(1OH) | 12a-Hydroxyrotenone | 4,9,11,12a-Tetrahydroxyrotenoid |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(3OH) | 4-phenylcoumarin | 5,2',4',5'-Tetrahydroxy-7-methoxy-4-phenylcoumarin |
| 0.000 | [Dalbergiquinol]-A(1OH, 3OMe)-B(1OH) | Dalbergiquinol | Kuhlmanniquinol |