ピーク情報
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リーフレタスグリーン
pos
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| Peak #8056 MN MID: SE198_S12_M90 |
| m/z: 535.10934, RT: 48.13, 強度: 334106, ログ強度: 2.03, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 8 |
| DB検索結果: (14 names) Cyanidin 3-(6''-malonylglucoside);Luteolin 7-malonylglucoside;Scutellarein 7-(6''-malonylglucoside);Cyanidin 3-(3''-malonylglucoside);5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuro... |
| DBごとのヒット数: ALL 13 KG 2 KN 9 HM 2 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.464 |
|
安定同位体ラベル実験で見積もられた原子数:
N: 0
S: 0
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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 |
|---|---|---|---|---|
| C24H22O14 | 534.10096 | 2.069 | Cyanidin 3-(6''-malonylglucoside) | FlavonoidViewer: [1]FL7AACGL0026 HMDB: [1]HMDB0037974 KEGG: [1]C12643 KNApSAcK: [1]C00006796 LipidMAPS: [1]LMPK12010135 |
| C24H22O14 | 534.10096 | 2.069 | Luteolin 7-O-(6''-malonylglucoside) | FlavonoidViewer: FL3FACGS0001 HMDB: HMDB0301681, HMDB0303671 KEGG: C10103 KNApSAcK: C00001067 LipidMAPS: LMPK12110636 |
| C24H22O14 | 534.10096 | 2.069 | Scutellarein 7-(6''-malonylglucoside) | FlavonoidViewer: FL3FEAGS0014 KNApSAcK: C00004230 LipidMAPS: LMPK12111118 |
| C24H22O14 | 534.10096 | 2.069 | Cyanidin 3-(3''-malonylglucoside) | FlavonoidViewer: [1]FL7AACGL0025 HMDB: [1]HMDB0041409, [1]HMDB0301885 KNApSAcK: [1]C00006795 LipidMAPS: [1]LMPK12010134 |
| C24H22O14 | 534.10096 | 2.069 | 5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide | FlavonoidViewer: FL5FECGS0039 HMDB: HMDB0037758, HMDB0301869 KNApSAcK: C00005800 LipidMAPS: LMPK12112943 |
| C24H22O14 | 534.10096 | 2.069 | Quercetin 3-(4''-malonylrhamnoside) | FlavonoidViewer: FL5FACGS0090 KNApSAcK: C00013862 LipidMAPS: LMPK12112255 |
| C24H22O14 | 534.10096 | 2.069 | Orobol 7-O-(6''-malonylglucoside) | FlavonoidViewer: FLIAACGS0003 KNApSAcK: C00010142 LipidMAPS: LMPK12050237 |
| C24H22O14 | 534.10096 | 2.069 | 3,5-Dihydroxy-3',4'-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide | HMDB: HMDB0038266 |
| C24H22O14 | 534.10096 | 2.069 | Luteolin 5-(6''-malonylglucoside) | FlavonoidViewer: FL3FACGS0054 KNApSAcK: C00004314 LipidMAPS: LMPK12110689 |
| C24H22O14 | 534.10096 | 2.069 | 2'-Hydroxygenistein 7-O-(6''-malonylglucoside) | HMDB: HMDB0039247 KNApSAcK: C00019704 |
| C24H22O14 | 534.10096 | 2.069 | Luteolin 7-(2''-glucuronosyllactate) | FlavonoidViewer: FL3FACGS0060 KNApSAcK: C00004322 LipidMAPS: LMPK12110695 |
| C24H22O14 | 534.10096 | 2.069 | Kaempferol 3-(6''-malonylgalactoside) | FlavonoidViewer: FL5FAAGA0028, FL5FAAGL0062 HMDB: HMDB0037434, HMDB0301693 KNApSAcK: C00005840, C00005844 LipidMAPS: LMPK12111689, LMPK12111784 |
| C24H22O14 | 534.10096 | 2.069 | Apigenin 7-(6''-malonylglucoside) | HMDB: HMDB0301863 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 535.10779 |
| Splash: splash10-000i-0090000000-3a526f0ef4125b351ea2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 287.09 | 115298 | 248 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl), 1(C-Xylosyl))-B(1OH) | Flavone | 6-C-beta-D-Xylopyranosyl-8-C-alpha-L-arabinopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH) | Flavone | 6,8-Di-C-alpha-L-arabinopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH) | Flavone | 6,8-Di-C-beta-D-arabinopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH) | Flavone | 6-C-alpha-L-Arabinopyranosyl-8-C-beta-L-arabinopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH) | Flavone | 6-C-beta-L-Arabinopyranosyl-8-C-alpha-L-arabinopyranosylapigenin |
| 0.000 | [Isoflavanone]-A(2OH, 1(C-Glu))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Isoflavanone | Dalpanin |
| Level: 3, プリカーサーm/z: 287.12466 |
| Splash: splash10-00ku-0490000000-47db75845b6fd27e5c60 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 287.08 | 1112 | 0 | 1000 |
| 241.08 | 804 | 46 | 723 |
| 165.04 | 721 | 122 | 648 |
| 213.00 | 639 | 74 | 575 |
| 153.00 | 381 | 134 | 343 |
| 258.07 | 340 | 29 | 306 |
| 231.08 | 326 | 56 | 293 |
| 269.16 | 255 | 18 | 229 |
| 288.16 | 189 | -1 | 170 |
| 259.12 | 185 | 28 | 166 |
| 120.93 | 180 | 166 | 161 |
| 132.93 | 168 | 154 | 151 |
| 242.10 | 166 | 45 | 149 |
| 214.10 | 160 | 73 | 144 |
| 166.04 | 115 | 121 | 103 |
| 197.07 | 109 | 90 | 97 |
| 185.02 | 94 | 102 | 84 |
| 270.09 | 89 | 17 | 80 |
| 170.85 | 73 | 116 | 65 |
| 136.91 | 72 | 150 | 64 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.542 | [Flavonol]-A(2OH)-B(1OH) | Flavonol | 3,7,8,4'-Tetrahydroxyflavone |
| 0.542 | [Flavonol]-A(2OH)-B(1OH) | Flavonol | Kaempferol |
| 0.440 | [Flavonol]-A(2OH)-B(1OH) | Flavonol | Datiscetin |
| 0.423 | [Flavonol]-A(1OH)-B(2OH) | Flavonol | Fisetin |
| 0.333 | [Flavonol]-A(3OH)-B(none) | Flavonol | 6-Hydroxygalangin |
| 0.333 | [Flavonol]-A(3OH)-B(none) | Flavonol | 8-Hydroxygalangin |
| 0.304 | [Flavone]-A(1OH)-B(3OH) | Flavone | 7,3',4',5'-Tetrahydroxyflavone |
| 0.304 | [Flavone]-A(2OH)-B(2OH) | Flavone | 5,7,2',5'-Tetrahydroxyflavone |
| 0.304 | [Flavone]-A(2OH)-B(2OH) | Flavone | 5,7,2',6'-Tetrahydroxyflavone |
| 0.304 | [Flavone]-A(2OH)-B(2OH) | Flavone | 5,7,2',3'-Tetrahydroxyflavone |
| 0.304 | [Flavone]-A(2OH)-B(2OH) | Flavone | Luteolin |
| 0.304 | [Flavone]-A(2OH)-B(2OH) | Flavone | Norartocarpetin |
| 0.304 | [Flavone]-A(3OH)-B(1OH) | Flavone | 5,6,7,2'-Tetrahydroxyflavone |
| 0.304 | [Flavone]-A(3OH)-B(1OH) | Flavone | Scutellarein |
| 0.304 | [Flavone]-A(3OH)-B(1OH) | Flavone | 5,7,8,2'-Tetrahydroxyflavone |
| 0.304 | [Flavone]-A(3OH)-B(1OH) | Flavone | Isoscutellarein |
| 0.240 | [Isoflavone]-A(2OH)-B(2OH) | Isoflavone | 7,8,2',4'-Tetrahydroxyisoflavone |
| 0.240 | [Isoflavone]-A(2OH)-B(2OH) | Isoflavone | Orobol |
| 0.240 | [Isoflavone]-A(2OH)-B(2OH) | Isoflavone | 2'-Hydroxygenistein |
| 0.217 | [Isoflavanone]-A(2OH)-B(1OMe) | Isoflavanone | Dihydrobiochanin A |
| 0.200 | [Anthocyanidin]-A(2OH)-B(2OH) | Anthocyanidin | Cyanidin |
| 0.200 | [Anthocyanidin]-A(3OH)-B(1OH) | Anthocyanidin | Aurantinidin |
| 0.192 | [Isoflavone]-A(1OH)-B(3OH) | Isoflavone | Baptigenin |
| 0.192 | [Isoflavone]-A(3OH)-B(1OH) | Isoflavone | 6-Hydroxygenistein |
| 0.167 | [Isoflavanone]-A(1OH)-B(1OH, 1OMe) | Isoflavanone | 3'-Hydroxydihydroformononetin |
| 0.167 | [Isoflavanone]-A(1OH)-B(1OH, 1OMe) | Isoflavanone | Vestitone |
| 0.154 | [Chalcone]-A(1OH)-B(2OH, 1OMe) | Chalcone | Licochalcone B |
| 0.111 | [Flavanone]-A(2OH)-B(1OMe) | Flavanone | 5,6-Dihydroxy-4'-methoxyflavanone |
| 0.111 | [Flavanone]-A(2OH)-B(1OMe) | Flavanone | Isosakuranetin |
| 0.111 | [Chalcone]-A(1OH, 1OMe)-B(2OH) | Chalcone | Sappanchalcone |
| 0.087 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin 3-methyl ether |
| 0.087 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Nissolin |
| 0.087 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Vesticarpan |
| 0.087 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Kushenin |
| 0.087 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | 3,8-Dihydroxy-9-methoxypterocarpan |
| 0.087 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Nissicarpin |
| 0.083 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none) | Dihydroflavonol | Pinobanksin 5-methyl ether |
| 0.083 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none) | Dihydroflavonol | Alpinone |
| 0.077 | [2'-Hydroxychalcone]-A(3OH)-B(1OMe) | 2'-Hydroxychalcone | 2',4',6'-Trihydroxy-4-methoxychalcone |
| 0.071 | [Flavanone]-A(1OH, 1OMe)-B(1OH) | Flavanone | Dihydroechioidinin |
| 0.071 | [Flavanone]-A(1OH, 1OMe)-B(1OH) | Flavanone | Naringenin 5-methyl ether |
| 0.071 | [Flavanone]-A(1OH, 1OMe)-B(1OH) | Flavanone | Sakuranetin |
| 0.045 | [Dihydroflavonol]-A(1OH)-B(1OMe) | Dihydroflavonol | Garbanzol 4'-methyl ether |
| 0.045 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none) | Dihydroflavonol | 3,7-Dihydroxy-6-methoxyflavanone |
| 0.043 | [Isoflavan]-A(1OH)-B(2OMe) | Isoflavan | Sativan |
| 0.042 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH) | Pterocarpan | Melilotocarpan B |
| 0.042 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH) | Pterocarpan | Desmocarpin |
| 0.037 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Kukulkanin B |
| 0.037 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | 2,2',6'-Trihydroxy-4'-methoxychalcone |
| 0.037 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | 2,2',4'-Trihydroxy-6'-methoxychalcone |
| 0.037 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Neosakuranetin |
| 0.037 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Helichrysetin |
| 0.037 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(2OH) | 2'-Hydroxychalcone | Calythropsin |
| 0.037 | [2'-Hydroxychalcone]-A(3OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',3',4'-dihydroxy-6'-methoxychalcone |
| 0.037 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Homobutein |
| 0.037 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 3,2',4'-Trihydroxy-4-methoxychalcone |
| 0.034 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | 5-Methoxydihydrobaicalein |
| 0.034 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | Dihydrooroxylin A |
| 0.034 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | 5,8-Dihydroxy-7-methoxyflavanone |
| 0.034 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | Dihydrowogonin |
| 0.000 | [Isoflavan]-A(1OMe)-B(1OH, 1OMe) | Isoflavan | Isosativan |
| 0.000 | [Isoflavan]-A(1OMe)-B(1OH, 1OMe) | Isoflavan | Arvensan |
| 0.000 | [Dihydrochalcone]-A(1OH, 2OMe)-B(none) | Dihydrochalcone | Dihydroflavokawin B |
| 0.000 | [Dihydrochalcone]-A(2OMe)-B(1OH) | Dihydrochalcone | 4-Hydroxy-2',4'-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(2OMe) | Dihydrochalcone | 4'-Hydroxy-2,6-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(2OMe) | Dihydrochalcone | Loureirin A |
| 0.000 | [Pterocarpan]-A(2OH)-B(1OMe) | Pterocarpan | 4-Hydroxymedicarpin |
| 0.000 | [Aurone]-A(2OH)-B(2OH) | Aurone | Maritimetin |
| 0.000 | [Aurone]-A(2OH)-B(2OH) | Aurone | Aureusidin |
| 0.000 | [Aurone]-A(3OH)-B(1OH) | Aurone | Helmon |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1OMe)-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Licodione 2'-methyl ether |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',6',beta-Trihydroxy-4'-methoxychalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',4',beta-Trihydroxy-6'-methoxychalcone |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone]-A(2OH)-B(1OH) | UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone | 4,4',6'-Trihydroxy-[2',5']-benzoquinonechalcone |
| 0.000 | [UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone]-A(2OMe)-B(none) | UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone | Linderone |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1([@@]-Methylenedioxy)) | Dihydrochalcone | 2',4'-Dihydroxy-3,4-methylenedioxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(none) | Dihydrochalcone | Myrigalone H |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1Formyl)-B(none) | Dihydrochalcone | 3'-Formyl-2',4',6'-trihydroxydihydrochalcone |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(1OH) | Flavanone | Poriol |
| 0.000 | [3-substituted Flavanone (3-Methyl)]-A(2OH)-B(1OH) | 3-substituted Flavanone | 3-Methylnaringenin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(none) | Dihydroflavonol | 6-Methypinobanksin |
| 0.000 | [Flavan 3-ol]-A(1OMe, 1Methyl)-B(1OH) | Flavan 3-ol | Tupichinol A |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavan | Peltogynan |
| 0.000 | [Flavan]-A(1OMe)-B(1OH, 1OMe) | Flavan | 4'-Hydroxy-7,3'-dimethoxyflavan |
| 0.000 | [Flavan]-A(1OH, 1Methyl)-B(1OH, 1OMe) | Flavan | 7,3'-Dihydroxy-4'-methoxy-8-methylflavan |
| 0.000 | [Flavan]-A(1OH, 1Methyl)-B(1OH, 1OMe) | Flavan | 7,4'-Dihydroxy-3'-methoxy-8-methylflavan |
| 0.000 | [Flavan]-A(1OH, 1OMe)-B(1OMe) | Flavan | 7-Hydroxy-5,4'-dimethoxyflavan |
| 0.000 | [Flavan]-A(1OH, 1OMe)-B(1OMe) | Flavan | 5-Hydroxy-7,4'-dimethoxyflavan |
| 0.000 | [Flavan]-A(2OMe)-B(1OH) | Flavan | 4'-Hydroxy-5,7-dimethoxyflavan |
| 0.000 | [Flavan]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Flavan | 5,4'-Dihydroxy-7'-methoxy-8-methylflavan |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH)-B(3OH) | 3-DehydroxyAnthocyanidin | Tricetinidin |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH)-B(1OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Claussequinone |
| 0.000 | [isoflavene]-A(1OH)-B(2OH, 1OMe) | isoflavene | Sepiol |
| 0.000 | [isoflavene]-A(1OH)-B(2OH, 1OMe) | isoflavene | Haginin C |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OMe) | Pterocarpan-6a-ol | 6a-Hydroxymedicarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OMe)-B(1OH) | Pterocarpan-6a-ol | 6a-Hydroxyisomedicarpin |
| 0.000 | [2-Phenylbenzofuran]-A(1OH, 1OMe)-B(1OH, 1OMe) | 2-Phenylbenzofuran | Sainfuran |
| 0.000 | [2-Phenylbenzofuran]-A(2OMe)-B(2OH) | 2-Phenylbenzofuran | 2',4'-Dihydroxy-5,6-dimethoxy-2-phenylbenzofuran |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(1OH, 2OMe) | 2-Phenylbenzofuran | Pterofuran |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(1OH, 2OMe) | 2-Phenylbenzofuran | Isopterofuran |
| 0.000 | [alpha-Methyldeoxybenzoin]-A(1OH, 1OMe)-B(1OMe) | alpha-Methyldeoxybenzoin | 2-O-Methylangolensin |
| 0.000 | [alpha-Methyldeoxybenzoin]-A(1OH, 1OMe)-B(1OMe) | alpha-Methyldeoxybenzoin | 4-O-Methylangolensin |
| 0.000 | [4-phenylcoumarin]-A(2OH)-B(2OH) | 4-phenylcoumarin | 5,7,3',4'-Tetrahydroxy-4-phenylcoumarin |
| 0.000 | [[3,2']-Methano-4-phenylchroman (3-OH)]-A(1OH)-B(2OH) | [3,2']-Methano-4-phenylchroman | Brazilin |
| 0.000 | [Dalbergiquinol]-A(1OH, 2OMe)-B(1OH) | Dalbergiquinol | Latifolin |
| 0.000 | [Dalbergiquinol]-A(1OH, 2OMe)-B(1OH) | Dalbergiquinol | 5,3'-Dihydroxy-2,4-dimethoxydalbergiquinol |
| 0.000 | [Dalbergiquinol]-A(2OH, 2OMe)-B(none) | Dalbergiquinol | 2,5-Dihydroxy-3,4-dimethoxydalbergiquinol |