ピーク情報
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ミヤコグサ
pos
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| Peak #5340 MN MID: SE205_S07_M90 |
| m/z: 551.17619, RT: 55.75, 強度: 231780, ログ強度: 1.87, 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: (14 names) Chalconaringenin 2'-rhamnosyl-(1->4)-xyloside;Castavinol;Styraxjaponoside A;(+)-Styraxjaponoside A;Dunnisinoside;(+)-Dunnisinoside;Jasminoside;4'-Hydroxyacetophenone 4'-[4-hydroxybenzoyl-(->5)-apiosyl... |
| DBごとのヒット数: ALL 12 KN 7 HM 5 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.400 |
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 |
|---|---|---|---|---|
| C26H30O13 | 550.16864 | 0.504 | Chalconaringenin 2'-rhamnosyl-(1->4)-xyloside | FlavonoidViewer: FL1CAAGS0006 KNApSAcK: C00007883 LipidMAPS: LMPK12120252 |
| C26H30O13 | 550.16864 | 0.504 | Liquiritin apioside | FlavonoidViewer: FL2F1AGS0003 HMDB: HMDB0037491 KNApSAcK: C00008195 LipidMAPS: LMPK12140023 |
| C26H30O13 | 550.16864 | 0.504 | Licuroside | FlavonoidViewer: FL1C1AGS0004 HMDB: HMDB0040728, HMDB0253655 KNApSAcK: C00007186, C00033064 LipidMAPS: LMPK12120023 |
| C26H30O13 | 550.16864 | 0.504 | Liquiritigenin 7-apiofuranoside-4'-glucoside | FlavonoidViewer: FL2F1AGS0004 KNApSAcK: C00014306 LipidMAPS: LMPK12140024 |
| C26H30O13 | 550.16864 | 0.504 | Castavinol | HMDB: HMDB0029808 |
| C26H30O13 | 550.16864 | 0.504 | Styraxjaponoside A | KNApSAcK: C00032216 |
| C26H30O13 | 550.16864 | 0.504 | Dunnisinoside | KNApSAcK: C00037080 |
| C26H30O13 | 550.16864 | 0.504 | Jasminoside | KNApSAcK: C00010766 |
| C26H30O13 | 550.16864 | 0.504 | 4'-Hydroxyacetophenone 4'-[4-hydroxybenzoyl-(->5)-apiosyl-(1->2)-glucoside] | HMDB: HMDB0036332 |
| C26H30O13 | 550.16864 | 0.504 | Neoliquiritin 2''-apioside | HMDB: HMDB0040544 |
| C26H30O13 | 550.16864 | 0.504 | Hydroxymatairesinol glucuronide 1 | HMDB: HMDB0240737 |
| C21H31O11N4Cl | 550.16779 | 2.058 | Caspase-3 Inhibitor III | HMDB: HMDB0249698 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 551.17609 |
| Splash: splash10-0udi-0009020000-44c0b6a930739b72794a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 303.18 | 20859 | 248 | 1000 |
| 515.10 | 5598 | 36 | 268 |
| 327.07 | 2651 | 224 | 127 |
| 411.19 | 2117 | 140 | 101 |
| 369.09 | 1851 | 182 | 88 |
| 533.20 | 1848 | 18 | 88 |
| 345.18 | 1759 | 206 | 84 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(2OH) | Flavone | 6,8-Di-C-Arabinosylluteolin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe) | Dihydroflavonol | Rel-5-hydroxy-7,4'-dimethoxy-2''S-(2,4,5-trimethoxy-E-styryl)-tetrahydrofuro[4''R,5''R:2,3]flavanonol |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe) | Dihydroflavonol | Rel-5-Hydroxy-7,4'-dimethoxy-3''S-(2,4,5-trimethoxy-E-styryl)tetrahydrofuro[4''R,5''R:2,3]flavanonol |
| Level: 3, プリカーサーm/z: 303.11798 |
| Splash: splash10-0udr-0900000000-def00eefced2127136a7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 152.93 | 16684 | 150 | 1000 |
| 137.00 | 10308 | 166 | 617 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.400 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Isoflavan | 5-Methoxyvestitol |
| 0.375 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Ferreirin |
| 0.375 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Isoferreirin |
| 0.250 | [Dihydroflavonol (3-OMe)]-A(1OH)-B(2OH) | Dihydroflavonol | 3-O-Methyl-2,3-trans-fustin |
| 0.222 | [Isoflavanone]-A(1OH)-B(2OH, 1OMe) | Isoflavanone | 7,2',3'-Trihydroxy-4'-methoxyisoflavanone |
| 0.188 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | 3,5,7,2',5'-Pentahydroxyflavone |
| 0.188 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Viscidulin I |
| 0.182 | [Flavone]-A(2OH)-B(3OH) | Flavone | Tricetin |
| 0.182 | [Flavone]-A(2OH)-B(3OH) | Flavone | Isoetin |
| 0.176 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Rhynchosin |
| 0.176 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Melanoxetin |
| 0.176 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Quercetin |
| 0.176 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Morin |
| 0.167 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OMe) | Flavan 3-ol | Afzelechin 5,4'-dimethyl ether |
| 0.167 | [Isoflavan]-A(2OMe)-B(2OH) | Isoflavan | Lotisoflavan |
| 0.167 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Sphaerosin |
| 0.167 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | 4',7-Dihydroxy-2',3'-dimethoxyisoflavan (+-) |
| 0.167 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Mucronulatol |
| 0.167 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Isomucronulatol |
| 0.167 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Methoxyvestitol |
| 0.143 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin 3-methyl ether |
| 0.125 | [Dihydroflavonol]-A(2OH)-B(1OMe) | Dihydroflavonol | Aromadendrin 4'-methyl ether |
| 0.111 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | Robinetin |
| 0.111 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | 3,7,2',3',4'-Pentahydroxyflavone |
| 0.100 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Okanin 4-methyl ether |
| 0.100 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 4,2',4',6'-Tetrahydroxy-3-methoxychalcone |
| 0.083 | [Chalcone]-A(2OH)-B(2OH, 1OMe) | Chalcone | 3,4,3',4'-Tetrahydroxy-2-methoxychalcone |
| 0.083 | [Flavone]-A(3OH)-B(2OH) | Flavone | 6-Hydroxyluteolin |
| 0.083 | [Flavone]-A(3OH)-B(2OH) | Flavone | Hypolaetin |
| 0.083 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Alysifolinone |
| 0.083 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Homoeriodictyol |
| 0.083 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Hesperetin |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxybutin |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 7,2',6'-Trihydroxy-5-methoxyflavanone |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Scutamoenin |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 5,2',3'-Trihydroxy-7-methoxyflavanone |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Eriodictyol 5-methyl ether |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Sternbin |
| 0.083 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Artocarpanone |
| 0.053 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | 6-Hydroxykaempferol |
| 0.053 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | Herbacetin |
| 0.000 | [Anthocyanidin]-A(2OH)-B(3OH) | Anthocyanidin | Delphinidin |
| 0.000 | [Anthocyanidin]-A(3OH)-B(2OH) | Anthocyanidin | 6-Hydroxycyanidin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | Alnustinol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | 3,5,8-Trihydroxy-7-methoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 5-methyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 7-methyl ether |
| 0.000 | [Flavanone]-A(3OH, 1OMe)-B(none) | Flavanone | Oresbiusin |
| 0.000 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-methoxyflavanone |
| 0.000 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,8,2'-Trihydroxy-7-methoxyflavanone |
| 0.000 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-8-methoxyflavanone |
| 0.000 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 4'-O-Methylcarthamidin |
| 0.000 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 5,7,8-Trihydroxy-4'-methoxyflavanone |
| 0.000 | [Dihydrochalcone]-A(1OH, 2OMe)-B(1OH) | Dihydrochalcone | Dihydroflavokawain C |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 2OMe) | Dihydrochalcone | 2,4'-Dihydroxy-4,6-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 2OMe) | Dihydrochalcone | 4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe) | Dihydrochalcone | Lusianin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe) | Dihydrochalcone | Calomelanone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe) | Dihydrochalcone | 2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 2OMe)-B(none) | Dihydrochalcone | Dihydropashanone |
| 0.000 | [Dihydrochalcone]-A(2OH, 2OMe)-B(none) | Dihydrochalcone | 2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 2OMe)-B(none) | Dihydrochalcone | 2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OH) | 2'-Hydroxychalcone | Lanceoletin |
| 0.000 | [Isoflavone]-A(3OH)-B(2OH) | Isoflavone | 5,7,8,2',4'-Pentahydroxyisoflavone |
| 0.000 | [Aurone]-A(2OH)-B(3OH) | Aurone | Bracteatin |
| 0.000 | [Auronol]-A(1OH)-B(1OH, 1OMe) | Auronol | 2,6,3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone |
| 0.000 | [Auronol]-A(1OH, 1OMe)-B(1OH) | Auronol | Carpusin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(1OH) | Dihydrochalcone | 4,2',6'-Trihydroxy-4'-methoxy-3'-methyldihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OMe) | Dihydrochalcone alpha-ol | Odoratol |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(3OH, 2Methyl)-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | Ceratiolin |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(2OH) | Flavanone | 5,7,3',5'-Tetrahydroxy-6-methylflavanone |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(2OH) | Flavanone | 6-C-Methyleriodictylol |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1Methyl) | Flavanone | 5'-C-Methyleriodictylol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(1OH) | Dihydroflavonol | 6-Methylaromadendrin |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(none) | Flavan 4-ol | 4,5,7-Trihydroxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol | Peltogynan-4-alpha-ol |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol | Mopanan-4-alpha-ol |
| 0.000 | [Flavan]-A(2OH)-B(2OMe) | Flavan | Diffutidin |
| 0.000 | [Flavan]-A(2OMe)-B(2OH) | Flavan | 3',4'-Dihydroxy-5,7-dimethoxyflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1OMe) | Pterocarpan-6a-ol | 6a,7-Dihydroxymedicarpin |
| 0.000 | [[3,2']-Methano-4-phenylchroman (3-OH)]-A(2OH)-B(2OH) | [3,2']-Methano-4-phenylchroman | Haematoxylin |
| Level: 3, プリカーサーm/z: 515.11951 |
| Splash: splash10-03xr-0017900000-17c87822ca13aad85c8f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 411.20 | 2592 | 104 | 1000 |
| 369.08 | 1093 | 146 | 421 |
| 393.22 | 594 | 122 | 229 |
| 365.14 | 526 | 150 | 202 |
| 261.04 | 457 | 254 | 176 |
| 391.19 | 434 | 124 | 167 |
| 497.32 | 400 | 18 | 154 |
| 479.05 | 177 | 36 | 68 |
| 378.91 | 138 | 136 | 53 |
| 219.06 | 136 | 296 | 52 |
FlavonoidSearch結果
ヒットなし