ピーク情報
|
（かんきつ類） レモン 全果 生
pos
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| Peak #4964 MN MID: SE123_S071551_M90 |
| m/z: 639.19312, RT: 49.80, 強度: 35982, ログ強度: 1.02, 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: (24 names) 6-Hydroxyluteolin 6,4'-dimethyl ether 7-rutinoside;Malvidin 3-rutinoside;Tricin 7-rutinoside;3,4'-Dihydroxy-7,3',5'-trimethoxyflavone 3-galactosyl-(1->4)-xyloside;Dillenetin 3-neohesperidoside;Quercet... |
| DBごとのヒット数: ALL 20 KN 19 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.500 |
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 |
|---|---|---|---|---|
| C29H34O16 | 638.18469 | 1.808 | 6-Hydroxyluteolin 6,4'-dimethyl ether 7-rutinoside | FlavonoidViewer: FL3FECGS0031 KNApSAcK: C00004414 LipidMAPS: LMPK12111204 |
| C29H34O16 | 638.18469 | 1.808 | Tricin 7-rutinoside | FlavonoidViewer: FL3FAIGS0008 KNApSAcK: C00004466 LipidMAPS: LMPK12110866 |
| C29H34O16 | 638.18469 | 1.808 | Malvidin 3-rutinoside | FlavonoidViewer: [1]FL7AAIGL0005 HMDB: [1]HMDB0041595 KNApSAcK: [1]C00006740 LipidMAPS: [1]LMPK12010376 |
| C29H34O16 | 638.18469 | 1.808 | 3,4'-Dihydroxy-7,3',5'-trimethoxyflavone 3-galactosyl-(1->4)-xyloside | FlavonoidViewer: FL5F1GGS0003 KNApSAcK: C00013987 LipidMAPS: LMPK12111575 |
| C29H34O16 | 638.18469 | 1.808 | Dillenetin 3-neohesperidoside | FlavonoidViewer: FL5FAFGL0001 KNApSAcK: C00005619 LipidMAPS: LMPK12110608 |
| C29H34O16 | 638.18469 | 1.808 | Ombuoside | FlavonoidViewer: FL5FCEGL0003 KNApSAcK: C00005616 LipidMAPS: LMPK12112647 |
| C29H34O16 | 638.18469 | 1.808 | Quercetin 3,3'-dimethyl ether 7-rutinoside | FlavonoidViewer: FL5FDDGS0003 KNApSAcK: C00013930 LipidMAPS: LMPK12112736 |
| C29H34O16 | 638.18469 | 1.808 | Ombuin 3-neohesperidoside | FlavonoidViewer: FL5FCEGL0002 KNApSAcK: C00005615 LipidMAPS: LMPK12112646 |
| C29H34O16 | 638.18469 | 1.808 | Rosinin | FlavonoidViewer: [1]FL7ACDGL0001 KNApSAcK: [1]C00006693 |
| C29H34O16 | 638.18469 | 1.808 | 5-Hydroxy-7,4',5'-trimethoxyisoflavone 3'-O-alpha-L-arabinofuranosyl(1->6)-beta-D-glucopyranoside | KNApSAcK: C00019135 |
| C29H34O16 | 638.18469 | 1.808 | Malvidin 3-rhamnoside-5-glucoside | FlavonoidViewer: [1]FL7AAIGO0004 HMDB: [1]HMDB0303640 KNApSAcK: [1]C00006741 |
| C29H34O16 | 638.18469 | 1.808 | Quercetin 3,7-dimethyl ether 3'-neohesperidoside | FlavonoidViewer: FL5FDAGS0007 KNApSAcK: C00013928 LipidMAPS: LMPK12112675 |
| C29H34O16 | 638.18469 | 1.808 | 6-Hydroxyluteolin 6,3'-dimethyl eter 7-rutinoside | FlavonoidViewer: FL3FECGS0052 KNApSAcK: C00013697 LipidMAPS: LMPK12111225 |
| C29H34O16 | 638.18469 | 1.808 | Rhamnazin 3-rutinoside | FlavonoidViewer: FL5FCDGL0002 HMDB: HMDB0037467 KNApSAcK: C00005609, C00040151 LipidMAPS: LMPK12112634 |
| C29H34O16 | 638.18469 | 1.808 | Tricin 7-neohesperidoside | FlavonoidViewer: FL3FAIGS0004 HMDB: HMDB0037462 KNApSAcK: C00004462 LipidMAPS: LMPK12110862 |
| C29H34O16 | 638.18469 | 1.808 | Scutellarein 7,4'-dimethyl ether 6-sophoroside | FlavonoidViewer: FL3FEAGS0017 KNApSAcK: C00004233 |
| C29H34O16 | 638.18469 | 1.808 | LipidMAPS: LMPK12112759 |
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| C29H34O16 | 638.18469 | 1.808 | 7-O-Methyltectorigenin 4'-O-gentiobioside | FlavonoidViewer: FLIAEAGS0006 KNApSAcK: C00010127 LipidMAPS: LMPK12050377 |
| C29H34O16 | 638.18469 | 1.808 | Dillenetin 3-rutinoside | FlavonoidViewer: FL5FAFGL0002 KNApSAcK: C00005620 LipidMAPS: LMPK12110609 |
| C29H34O16 | 638.18469 | 1.808 | Oxoverbascoside | KNApSAcK: C00034095 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 639.19275 |
| Splash: splash10-004i-0009000000-259e6d1f1621e2a5ef18 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 377.10 | 5463 | 262 | 1000 |
| 333.11 | 779 | 306 | 142 |
| 621.07 | 628 | 18 | 114 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(1(O-Feruloyl)-C-Glu))-B(1OH, 1OMe) | Flavone | Isoscoparin 2''-O-ferulate |
| Level: 3, プリカーサーm/z: 377.22717 |
| Splash: splash10-03di-0009000000-4da2315c8d0a2d01797e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 362.07 | 1620 | 15 | 1000 |
| 347.14 | 648 | 30 | 399 |
| 344.02 | 200 | 33 | 123 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.500 | [Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',6'-Tetrahydroxy-6,8,2'-trimethoxyflavone |
| 0.500 | [Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone |
| 0.500 | [Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone |
| 0.118 | [Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | Limocitrol |
| 0.118 | [Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 3,5,7,3'-Tetrahydroxy-6,8,4'-trimethoxyflavone |
| 0.118 | [Flavonol]-A(1OH, 3OMe)-B(2OH) | Flavonol | 3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone |
| 0.118 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 3,5,7,4'-Tetrahydroxy-6,3',5'-trimethoxyflavone |
| 0.118 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 3,5,7,3'-Tetrahydroxy-6,4',5'-trimethoxyflavone |
| 0.118 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Hibiscetin 8,3',5'-trimethyl ether |
| 0.077 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavanone | 5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone |
| 0.077 | [Flavanone]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone |
| 0.053 | [Flavanone]-A(1OH, 2(C-Prenyl))-B(none) | Flavanone | Ovaliflavanone A |
| 0.053 | [2'-Hydroxychalcone]-A(2OH, 2(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Spinochalcone A |
| 0.000 | [Pterocarpan]-A(1OH, 2OMe)-B(1OH, 2OMe) | Pterocarpan | 2,8-Dihydroxy-3,4,9,10-tetramethoxypterocarpan |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1(2-hydroxybenzyl))-B(none) | Flavanone | 5-O-Methylchamanetin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Benzoyl)) | Dihydroflavonol | Pinobanksin 3-O-benzoate |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl)) | Dihydroflavonol | 3,5,7,3',4'-Pentahydroxy-6-methoxyflavanone 3-O-acetate |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Dihydroflavonol | Plumbaginol |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 2OMe) | Flavonol | 5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Apuleisin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,4',5'-Tetrahydroxy-3,6,2'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 3,7,4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 3,8,4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH) | Flavonol | 5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH) | Flavonol | 5,6,3',4'-Tetrahydroxy-3,7,8-trimethoxyflavone |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 2OMe)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Abruquinone C |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Dehydrorotenone | Dehydromillettone |
| Level: 3, プリカーサーm/z: 333.18170 |
| Splash: splash10-017i-0925000000-6c302dd9e950c01318a5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 177.06 | 180 | 156 | 1000 |
| 183.02 | 150 | 150 | 833 |
| 318.13 | 125 | 15 | 698 |
| 315.13 | 75 | 18 | 415 |
| 209.04 | 34 | 124 | 190 |
| 301.11 | 22 | 32 | 121 |
| 145.03 | 15 | 188 | 85 |
| 291.23 | 15 | 42 | 85 |
| 259.30 | 13 | 74 | 73 |
| 205.05 | 12 | 128 | 68 |
| 154.93 | 12 | 178 | 64 |
| 219.18 | 11 | 114 | 61 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.353 | [Flavanone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone |
| 0.188 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 7,3'-dimethyl ether |
| 0.188 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 7,4'-dimethyl ether |
| 0.188 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone |
| 0.182 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3'-methyl ether |
| 0.182 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 4'-methyl ether |
| 0.182 | [Flavonol]-A(3OH)-B(1OH, 1OMe) | Flavonol | Haplogenin |
| 0.182 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Allopatuletin |
| 0.182 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Patuletin |
| 0.182 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Quercetagetin 7-methyl ether |
| 0.182 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Ranupetin |
| 0.182 | [Flavonol]-A(2OH, 1OMe)-B(2OH) | Flavonol | Corniculatusin |
| 0.150 | [Flavanone]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavanone | Dihydrotricetin 7,3'-dimethyl ether |
| 0.150 | [Flavanone]-A(1OH, 2OMe)-B(2OH) | Flavanone | Dioclein |
| 0.150 | [Flavanone]-A(1OH, 2OMe)-B(2OH) | Flavanone | 5,2',5'-Trihydroxy-7,8-dimethoxyflavanone |
| 0.150 | [Flavanone]-A(2OH)-B(1OH, 2OMe) | Flavanone | 7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone |
| 0.150 | [Flavanone]-A(2OH)-B(1OH, 2OMe) | Flavanone | 5,7,4'-Trihydroxy-3',5'-dimethoxyflavanone |
| 0.143 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe) | Dihydroflavonol | 3,5,7-Trihydroxy-6,4'-dimethoxyflavanone |
| 0.143 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe) | Dihydroflavonol | 3,5,7-Trihydroxy-8,4'-dimethoxyflavanone |
| 0.143 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone |
| 0.143 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,3'-Trihydroxy-7,2'-dimethoxyflavanone |
| 0.130 | [Flavonol]-A(1OH, 1OMe)-B(3OH) | Flavonol | Myricetin 5-methyl ether |
| 0.130 | [Flavonol]-A(1OH, 1OMe)-B(3OH) | Flavonol | Europetin |
| 0.130 | [Flavonol]-A(2OH)-B(2OH, 1OMe) | Flavonol | Laricitrin |
| 0.130 | [Flavonol]-A(2OH)-B(2OH, 1OMe) | Flavonol | Mearnsetin |
| 0.105 | [Isoflavanone]-A(2OH)-B(1OH, 2OMe) | Isoflavanone | Parvisoflavanone |
| 0.071 | [Flavone]-A(2OH, 1OMe)-B(3OH) | Flavone | 3',4',5'-Trihydroxywogonin |
| 0.071 | [Flavone]-A(3OH, 1OMe)-B(2OH) | Flavone | 5,7,8,3',4'-Pentahydroxy-6-methoxyflavone |
| 0.071 | [Flavone]-A(3OH, 1OMe)-B(2OH) | Flavone | 5,6,7,3',4'-Pentahydroxy-8-methoxyflavone |
| 0.067 | [Dihydroflavonol]-A(1OH, 2OMe)-B(1OH) | Dihydroflavonol | 3,5,4'-Trihydroxy-6,7-dimethoxyflavanone |
| 0.067 | [Dihydroflavonol]-A(1OH, 2OMe)-B(1OH) | Dihydroflavonol | 3,5,2'-Trihydroxy-7,8-dimethoxyflavanone |
| 0.063 | [Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,7,3'-trimethyl ether |
| 0.063 | [Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,7,4'-trimethyl ether |
| 0.000 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Isoflavan | Duartin |
| 0.000 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Isoflavan | Isoduartin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 3OMe) | Isoflavan | Lonchocarpan |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe) | Dihydrochalcone | 2',4'-Dihydroxy-3,4,6'-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe) | Dihydrochalcone | 2',6'-Dihydroxy-3,4,4'-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 3OMe)-B(none) | Dihydrochalcone | Dihydropedicin |
| 0.000 | [Dihydrochalcone]-A(2OH, 3OMe)-B(none) | Dihydrochalcone | 3',5'-Dihydroxy-2',4',6'-trimethoxydihydrochalcone |
| 0.000 | [CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone]-A(2OH)-B(2OH) | CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone | Crombenin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(3OH) | Flavonol | Annulatin |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(3OH) | Flavonol | Pinomyricetin |
| 0.000 | [Flavonol]-A(2OH)-B(3OH, 1Methyl) | Flavonol | 2'-C-Methylmyricetin |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(2OH) | Flavonol | Quercetagetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(2OH) | Flavonol | Gossypetin 3-methyl ether |
| 0.000 | [4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(none) | 4-substituted Flavan 3-ol | 3'-Deoxydryopteric acid |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OMe) | Flavan 4-ol | 4,5,7-Trihydroxy-4'-methoxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [Flavan 3,4-diol]-A(1OMe)-B(2OMe) | Flavan 3,4-diol | Fisetinidol-4beta-ol 7,3',4'-trimethyl ether |