ピーク情報
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パセリ 葉
pos
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| Peak #4827 MN MID: SE61_S21_M90 |
| m/z: 771.21354, RT: 38.17, 強度: 162516, ログ強度: 1.63, 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: (11 names) Isovitexin 2''-O-(6'''-feruloyl)glucoside;Petunidin 3-(4'''-p-coumarylrutinoside);Isorhamnetin 3-O-[4-Hydroxy-E-cinnamoyl-(->6)-b-D-glucopyranosyl-(1->2)-a-L-rhamnopyranoside];Isoscoparin 2''-(6-(E)-p... |
| DBごとのヒット数: ALL 11 KN 11 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.522 |
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 |
|---|---|---|---|---|
| C37H38O18 | 770.20581 | 0.589 | Petunidin 3-(4'''-p-coumarylrutinoside) | FlavonoidViewer: [1]FL7AAHGL0012 HMDB: [1]HMDB0301902 KNApSAcK: [1]C00006897 LipidMAPS: [1]LMPK12010359 |
| C37H38O18 | 770.20581 | 0.589 | Isovitexin 2''-O-(6'''-feruloyl)glucoside | FlavonoidViewer: FL3FAACS0082 HMDB: HMDB0038042 KNApSAcK: C00014082 LipidMAPS: LMPK12110272 |
| C37H38O18 | 770.20581 | 0.589 | Isorhamnetin 3-(6'''-p-coumaroylglucosyl)-(1->2)-rhamnoside | FlavonoidViewer: FL5FADGS0028 HMDB: HMDB0038252 KNApSAcK: C00013920 LipidMAPS: LMPK12112385 |
| C37H38O18 | 770.20581 | 0.589 | Isoscoparin 2''-(6-(E)-p-coumaroylglucoside) | FlavonoidViewer: FL3FADCS0015 HMDB: HMDB0037423 KNApSAcK: C00006334 LipidMAPS: LMPK12110752 |
| C37H38O18 | 770.20581 | 0.589 | Isovitexin 4'-O-glucoside 2''-O-(E)-ferulate | FlavonoidViewer: FL3FAADS0019 KNApSAcK: C00006332 LipidMAPS: LMPK12110304 |
| C37H38O18 | 770.20581 | 0.589 | Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside | FlavonoidViewer: FL3FAADS0045 HMDB: HMDB0301976 KNApSAcK: C00014078 LipidMAPS: LMPK12110328 |
| C37H38O18 | 770.20581 | 0.589 | Isorhamnetin 3-(4'''-p-coumarylrobinobioside) | FlavonoidViewer: FL5FADGA0024 KNApSAcK: C00006015 LipidMAPS: LMPK12112338 |
| C37H38O18 | 770.20581 | 0.589 | Pelargonidin 3-(6''-ferulylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AAAGL0030 KNApSAcK: [1]C00006769 LipidMAPS: [1]LMPK12010044 |
| C37H38O18 | 770.20581 | 0.589 | Peonidin 3-(6''-p-coumarylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AADGL0019 KNApSAcK: [1]C00006867 LipidMAPS: [1]LMPK12010250 |
| C37H38O18 | 770.20581 | 0.589 | Rhamnocitrin 3-(5'''-ferulylapiosyl)-(1->2)-glucoside | FlavonoidViewer: FL5FCAGL0009 KNApSAcK: C00005929 LipidMAPS: LMPK12112570 |
| C35H42O6N6S4 | 770.20487 | 1.819 | Dethio-tetra(methylthio)chetomin | KNApSAcK: C00024016 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 771.21283 |
| Splash: splash10-00di-0090000000-8f31738ff21d94583fc9 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.07 | 135732 | 500 | 1000 |
| 272.13 | 16017 | 499 | 118 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 271.08301 |
| Splash: splash10-00di-0790000000-13fce662a6e43e74d8fe |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.16 | 1125 | -0 | 1000 |
| 173.06 | 626 | 98 | 556 |
| 196.99 | 441 | 74 | 392 |
| 225.12 | 401 | 46 | 356 |
| 215.08 | 397 | 56 | 353 |
| 121.00 | 355 | 150 | 315 |
| 243.12 | 284 | 28 | 252 |
| 145.10 | 282 | 126 | 250 |
| 253.01 | 282 | 18 | 250 |
| 187.14 | 211 | 84 | 187 |
| 169.10 | 183 | 102 | 162 |
| 149.03 | 172 | 122 | 153 |
| 272.10 | 104 | -1 | 92 |
| 159.13 | 84 | 112 | 74 |
| 228.86 | 84 | 42 | 74 |
| 226.15 | 77 | 45 | 68 |
| 254.00 | 66 | 17 | 58 |
| 150.02 | 61 | 121 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.522 | [Flavonol]-A(1OH)-B(1OH) | Flavonol | Resokaempferol |
| 0.400 | [Anthocyanidin]-A(2OH)-B(1OH) | Anthocyanidin | Pelargonidin |
| 0.381 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Demethyltexasin |
| 0.381 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 8-Hydroxydaidzein |
| 0.381 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,2'-Trihydroxyisoflavone |
| 0.381 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | 5,7,3'-Trihydroxyisoflavone |
| 0.381 | [Isoflavone]-A(2OH)-B(1OH) | Isoflavone | Genistein |
| 0.360 | [Flavonol]-A(2OH)-B(none) | Flavonol | Galangin |
| 0.333 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,8,2'-Trihydroxyflavone |
| 0.333 | [Flavone]-A(2OH)-B(1OH) | Flavone | 5,7,2'-Trihydroxyflavone |
| 0.333 | [Flavone]-A(2OH)-B(1OH) | Flavone | Apigenin |
| 0.333 | [Flavone]-A(3OH)-B(none) | Flavone | Baicalein |
| 0.333 | [Flavone]-A(3OH)-B(none) | Flavone | Norwogonin |
| 0.318 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 3'-Hydroxydaidzein |
| 0.318 | [Isoflavone]-A(1OH)-B(2OH) | Isoflavone | 2'-Hydroxydaidzein |
| 0.273 | [Flavone]-A(1OH)-B(2OH) | Flavone | 7,3',4'-Trihydroxyflavone |
| 0.273 | [Flavone]-A(1OH)-B(2OH) | Flavone | 5,2',5'-Trihydroxyflavone |
| 0.217 | [Chalcone]-A(1OH)-B(1OH, 1OMe) | Chalcone | Echinatin |
| 0.217 | [Flavanone]-A(1OMe)-B(1OH) | Flavanone | Methyl-liquiritigenin |
| 0.182 | [Isoflavanone]-A(1OH)-B(1OMe) | Isoflavanone | Dihydroformononetin |
| 0.182 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Isoliquiritigenin 4'-methyl ether |
| 0.182 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4-methyl ether |
| 0.182 | [2'-Hydroxychalcone]-A(2OH)-B(1OMe) | 2'-Hydroxychalcone | 2',5'-Dihydroxy-4-methoxychalcone |
| 0.182 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Flemichapparin |
| 0.182 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Larrein |
| 0.182 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | Cardamonin |
| 0.182 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',6'-Dihydroxy-4'-methoxychalcone |
| 0.167 | [Chalcone]-A(1OH, 1OMe)-B(1OH) | Chalcone | Isoliquiritigenin 2'-methy ether |
| 0.167 | [Flavanone]-A(1OH)-B(1OMe) | Flavanone | 4'-Methylliquiritigenin |
| 0.167 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | 7-Hydroxy-8-methoxyflavanone |
| 0.167 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Alpinetin |
| 0.167 | [Flavanone]-A(1OH, 1OMe)-B(none) | Flavanone | Pinostrobin |
| 0.045 | [Pterocarpan]-A(1OH)-B(1OMe) | Pterocarpan | Medicarpin |
| 0.045 | [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 |
| Level: 3, プリカーサーm/z: 272.08099 |
| Splash: splash10-00di-0980000000-4e7f35a437c781c87642 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 272.04 | 155 | 0 | 1000 |
| 198.14 | 95 | 74 | 610 |
| 226.06 | 60 | 46 | 391 |
| 122.05 | 45 | 150 | 291 |
| 244.06 | 36 | 28 | 235 |
| 173.13 | 35 | 99 | 228 |
| 145.16 | 32 | 127 | 208 |
| 118.06 | 23 | 154 | 151 |
| 174.20 | 23 | 98 | 147 |
| 154.03 | 21 | 118 | 134 |
| 224.78 | 17 | 47 | 110 |
| 230.29 | 16 | 42 | 103 |
| 110.48 | 16 | 162 | 100 |
| 148.93 | 14 | 123 | 91 |
| 227.31 | 14 | 45 | 90 |
| 157.13 | 9 | 115 | 59 |
| 159.05 | 8 | 113 | 53 |
FlavonoidSearch結果
ヒットなし