ピーク情報
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パセリ 葉 生
pos
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| Peak #6146 MN MID: SE119_S062391_M90 |
| m/z: 697.19799, RT: 43.30, 強度: 18548, ログ強度: 0.70, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (6 names) Malvidin 3-(6''-acetylglucoside)-5-glucoside;Isovitexin 7-O-xyloside 2''-O-arabinoside;Kaempferol 3-apiosyl-(1->2)-alpha-L-arabinofuranoside-7-rhamnoside;Apigenin 6-C-arabinosyl-8-C-glucoside;Isomollu... |
| DBごとのヒット数: ALL 6 KN 5 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.357 |
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 |
|---|---|---|---|---|
| C31H36O18 | 696.19016 | 0.792 | Malvidin 3-(6''-acetylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AAIGL0016 KNApSAcK: [1]C00006907 LipidMAPS: [1]LMPK12010387 |
| C31H36O18 | 696.19016 | 0.792 | Isovitexin 7-O-xyloside 2''-O-arabinoside | FlavonoidViewer: FL3FAADS0035 KNApSAcK: C00014035 LipidMAPS: LMPK12110319 |
| C31H36O18 | 696.19016 | 0.792 | Kaempferol 3-apiosyl-(1->2)-alpha-L-arabinofuranoside-7-rhamnoside | FlavonoidViewer: FL5FAAGS0039 KNApSAcK: C00005220 LipidMAPS: LMPK12111875 |
| C31H36O18 | 696.19016 | 0.792 | Apigenin 6-C-arabinosyl-8-C-glucoside | HMDB: HMDB0302629 |
| C31H36O18 | 696.19016 | 0.792 | Haploside C | FlavonoidViewer: FL5FFCGS0023 KNApSAcK: C00006037 LipidMAPS: LMPK12113216 |
| C31H36O18 | 696.19016 | 0.792 | Isomollupentin 7-O-glucoside-2''-O-xyloside | FlavonoidViewer: FL3FAADS0009, FL3FAADS0010 KNApSAcK: C00006305, C00006306 LipidMAPS: LMPK12110294, LMPK12110295 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 697.19800 |
| Splash: splash10-00xr-0090581000-6ebc98270ef9254e07e1 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.13 | 1991 | 426 | 1000 |
| 565.17 | 1952 | 132 | 980 |
| 433.07 | 819 | 264 | 411 |
| 403.20 | 412 | 294 | 206 |
| 679.51 | 144 | 18 | 72 |
| 678.19 | 121 | 19 | 60 |
| 313.24 | 107 | 384 | 53 |
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: 565.16925 |
| Splash: splash10-00e9-0090700000-93843dbde56dcdc7ede4 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.08 | 2378 | 294 | 1000 |
| 433.14 | 1797 | 132 | 755 |
| 403.19 | 198 | 162 | 83 |
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: 271.12872 |
| Splash: splash10-0uk9-0690000000-2338ba8c125afdaba457 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 153.07 | 120 | 118 | 1000 |
| 271.24 | 76 | -0 | 630 |
| 203.17 | 70 | 68 | 580 |
| 229.12 | 51 | 42 | 423 |
| 121.05 | 29 | 150 | 237 |
| 225.02 | 13 | 46 | 110 |
| 211.12 | 13 | 60 | 106 |
| 253.24 | 10 | 18 | 80 |
| 144.69 | 6 | 126 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.357 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,8,2'-Trihydroxyflavone |
| 0.357 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,7,2'-Trihydroxyflavone |
| 0.357 | [Flavone]-A(2OH)-B(1OH) | Flavone | Apigenin |
| 0.250 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Demethyltexasin |
| 0.250 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 8-Hydroxydaidzein |
| 0.250 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,2'-Trihydroxyisoflavone |
| 0.250 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,3'-Trihydroxyisoflavone |
| 0.250 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Genistein |
| 0.238 | [Flavonol]-A(1OH)-B(1OH) | Flavonol | Resokaempferol |
| 0.214 | [Isoflavanone]-A(1OH)-B(1OMe) | Isoflavanone | Dihydroformononetin |
| 0.190 | [Flavonol]-A(2OH)-B(none) | Flavonol | Galangin |
| 0.188 | [Chalcone]-A(1OH)-B(1OH, 1OMe) | Chalcone | Echinatin |
| 0.188 | [Flavone]-A(3OH)-B(none) | Flavone | Baicalein |
| 0.188 | [Flavone]-A(3OH)-B(none) | Flavone | Norwogonin |
| 0.188 | [Flavone]-A(1OH)-B(2OH) | Flavone | 7,3',4'-Trihydroxyflavone |
| 0.188 | [Flavone]-A(1OH)-B(2OH) | Flavone | 5,2',5'-Trihydroxyflavone |
| 0.188 | [Flavanone]-A(1OMe)-B(1OH) | Flavanone | Methyl-liquiritigenin |
| 0.133 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Isoliquiritigenin 4'-methyl ether |
| 0.133 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4-methyl ether |
| 0.133 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | 2',5'-Dihydroxy-4-methoxychalcone |
| 0.133 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Flemichapparin |
| 0.133 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Larrein |
| 0.133 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Cardamonin |
| 0.133 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',6'-Dihydroxy-4'-methoxychalcone |
| 0.118 | [Flavanone]-A(1OH)-B(1OMe) | Flavanone | 4'-Methylliquiritigenin |
| 0.118 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | 7-Hydroxy-8-methoxyflavanone |
| 0.118 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Alpinetin |
| 0.118 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Pinostrobin |
| 0.118 | [Chalcone]-A(1OH, 1OMe)-B(1OH) | Chalcone | Isoliquiritigenin 2'-methy ether |
| 0.118 | [Anthocyanidin]-A(2OH)-B(1OH) | Anthocyanidin | Pelargonidin |
| 0.111 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 3'-Hydroxydaidzein |
| 0.111 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 2'-Hydroxydaidzein |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OMe) | Pterocarpan | Medicarpin |
| 0.000 | [Pterocarpan]-A(1OMe)-B(1OH) | Pterocarpan | Isomedicarpin |
| 0.000 | [Aurone]-A(1OH)-B(2OH) | Aurone | Sulfuretin |
| 0.000 | [Aurone]-A(2OH)-B(1OH) | Aurone | 4,6,4'-Trihydroxyaurone |
| 0.000 | [UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone (alpha-OMe)]-A(1OMe)-B(none) | UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone | Methyllucidone |
| 0.000 | [UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone]-A(3Methyl)-B(none) | UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone | 4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(none) | Flavanone | Strobopinin |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(none) | Flavanone | Cryptostrobin |
| 0.000 | [Flavan]-A(1OMe, 1Methyl)-B(1OH) | Flavan | 4'-Hydroxy-7-methoxy-8-methylflavan |
| 0.000 | [Flavan]-A(1OH)-B(1([@@]-Methylenedioxy)) | Flavan | 7-Hydroxy-3',4'-methylenedioxyflavan |
| 0.000 | [Flavan]-A(2OMe)-B(none) | Flavan | Tephrowatsin E |
| 0.000 | [Flavan]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavan | 7-Hydroxy-5-methoxy-6-methylflavan |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH)-B(2OH) | 3-DehydroxyAnthocyanidin | Luteolinidin |
| 0.000 | [isoflavene]-A(1OH)-B(1OH, 1OMe) | isoflavene | Haginin B |
| 0.000 | [2-Phenylbenzofuran]-A(1OMe)-B(1OH, 1OMe) | 2-Phenylbenzofuran | Vignafuran |
| 0.000 | [2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(2OH) | 2-Phenylbenzofuran | 2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran |
| 0.000 | [Dalbergiquinol]-A(1OH, 2OMe)-B(none) | Dalbergiquinol | 5-Hydroxy-2,4-dimethoxydalbergiquinol |
| 0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OH) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 4'-Hydroxy-4-methoxydalbergione |