ピーク情報
|
ポプラ, 幼植物, 地上部
pos
|
| Peak #8692 MN MID: SE205_S08_M90 |
| m/z: 285.11225, RT: 85.33, 強度: 14260, ログ強度: 0.56, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (28 names) Mollugin;Triangularin;Stercurensin;Batatasin I;Isobatatasin I;7,8-Dimethoxyflavanone;Furopinnarin;Desmethoxymatteucinol;6-Hydroxy-7,8-dimethoxyneoflavene;Pulchelstyrene D;Racemofuran;DL-Propylene glyc... |
| DBごとのヒット数: ALL 28 KG 3 KN 24 HM 1 |
| FlavonoidSearch最大スコア MS2: 0.100, MS3: - |
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 |
|---|---|---|---|---|
| C17H16O4 | 284.10486 | 0.401 | Mollugin | HMDB: HMDB0254836 KNApSAcK: C00030781 |
| C17H16O4 | 284.10486 | 0.401 | Batatasin I | HMDB: HMDB0038778 KEGG: C10246 KNApSAcK: C00000325 |
| C17H16O4 | 284.10486 | 0.401 | Isobatatasin I | KEGG: C10265 KNApSAcK: C00002886 |
| C17H16O4 | 284.10486 | 0.401 | Furopinnarin | KNApSAcK: C00037165 |
| C17H16O4 | 284.10486 | 0.401 | Pulchelstyrene D | KNApSAcK: C00042878 |
| C17H16O4 | 284.10486 | 0.401 | DL-Propylene glycol dibenzoate | HMDB: HMDB0040412 |
| C17H16O4 | 284.10486 | 0.401 | Racemofuran | KNApSAcK: C00056096 |
| C17H16O4 | 284.10486 | 0.401 | 4-[5-Formyl-3-methyl-pent-2E,4E-dien-1-yl]-5-methylcoumarin | KNApSAcK: C00019871 |
| C17H16O4 | 284.10486 | 0.401 | (-)-Cryptoresinol | KNApSAcK: C00000596 |
| C17H16O4 | 284.10486 | 0.401 | Stemofuran E | KNApSAcK: C00046422 |
| C17H16O4 | 284.10486 | 0.401 | Swietenocoumarin B | KNApSAcK: C00037872 |
| C17H16O4 | 284.10486 | 0.401 | Phenethyl caffeate | HMDB: HMDB0246033, HMDB0302344 KEGG: C10484 KNApSAcK: C00002766 |
| C17H16O4 | 284.10486 | 0.401 | Triangularin | FlavonoidViewer: FL1CA9NM0002 KNApSAcK: C00007041 LipidMAPS: LMPK12120222 |
| C17H16O4 | 284.10486 | 0.401 | Stercurensin | FlavonoidViewer: FL1CA9NM0003 HMDB: HMDB0037485, HMDB0245553 KNApSAcK: C00007042 LipidMAPS: LMPK12120223 |
| C17H16O4 | 284.10486 | 0.401 | 7,8-Dimethoxyflavanone | FlavonoidViewer: FL2F39NS0002 KNApSAcK: C00008130 LipidMAPS: LMPK12140090 |
| C17H16O4 | 284.10486 | 0.401 | Desmethoxymatteucinol | FlavonoidViewer: FL2FA9NM0006 HMDB: HMDB0030694 KNApSAcK: C00008168 LipidMAPS: LMPK12140192 |
| C17H16O4 | 284.10486 | 0.401 | Kuhlmannene | FlavonoidViewer: FLNE49NS0001 KNApSAcK: C00010267 LipidMAPS: LMPK12100079 |
| C17H16O4 | 284.10486 | 0.401 | (R)-3,4-Dimethoxydalbergione | FlavonoidViewer: FLND49NS0001 KNApSAcK: C00010255 LipidMAPS: LMPK12100076 |
| C17H16O4 | 284.10486 | 0.401 | Pinocembrin 5,7-dimethyl ether | FlavonoidViewer: FL2FA9NS0004 KNApSAcK: C00008145 LipidMAPS: LMPK12140217 |
| C17H16O4 | 284.10486 | 0.401 | 4-Hydroxy-2,4'-dimethoxychalcone | FlavonoidViewer: FL1CRTNS0002 KNApSAcK: C00006923 LipidMAPS: LMPK12120432 |
| C17H16O4 | 284.10486 | 0.401 | 7-O-Methylstrobopinin | FlavonoidViewer: FL2FA9NM0003 KNApSAcK: C00008165 LipidMAPS: LMPK12140189 |
| C17H16O4 | 284.10486 | 0.401 | 5-Hydroxy-7-methoxy-8-C-methylflavanone | FlavonoidViewer: FL2FA9NM0005 KNApSAcK: C00008167 LipidMAPS: LMPK12140191 |
| C17H16O4 | 284.10486 | 0.401 | (-)-Homopterocarpin | FlavonoidViewer: FLID1ANS0004 KNApSAcK: C00009613 LipidMAPS: LMPK12070031 |
| C17H16O4 | 284.10486 | 0.401 | Aurentiacin A | FlavonoidViewer: FL1CA9NM0001 KNApSAcK: C00007040 LipidMAPS: LMPK12120221 |
| C17H16O4 | 284.10486 | 0.401 | (S)-4,4'-Dimethoxydalbergione | FlavonoidViewer: FLND2ANS0002 KNApSAcK: C00010254 LipidMAPS: LMPK12100074 |
| C17H16O4 | 284.10486 | 0.401 | Flavokawin B | FlavonoidViewer: FL1CA9NS0004 HMDB: HMDB0033691 KNApSAcK: C00006936, C00045544, C00048941 LipidMAPS: LMPK12120246 |
| C17H16O4 | 284.10486 | 0.401 | Isoliquiritigenin 4,4'-dimethyl ether | FlavonoidViewer: FL1C1ANS0005 KNApSAcK: C00006929 LipidMAPS: LMPK12120100 |
| C17H16O4 | 284.10486 | 0.401 | Comptonin | FlavonoidViewer: FL2FA9NM0002 KNApSAcK: C00008164 LipidMAPS: LMPK12140188, LMPK12140706 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 285.11185 |
| Splash: splash10-0udi-0910000000-22815a5226cc2327175a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 152.92 | 94594 | 132 | 1000 |
| 267.07 | 19386 | 18 | 204 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.100 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(none) | 2'-Hydroxychalcone | Flavokawin B |
| 0.100 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OMe) | 2'-Hydroxychalcone | Isoliquiritigenin 4,4'-dimethyl ether |
| 0.083 | [Chalcone]-A(1OMe)-B(1OH, 1OMe) | Chalcone | Glypallichalcone |
| 0.083 | [Flavanone]-A(2OMe)-B(none) | Flavanone | 7,8-Dimethoxyflavanone |
| 0.083 | [Flavanone]-A(2OMe)-B(none) | Flavanone | Pinocembrin 5,7-dimethyl ether |
| 0.067 | [Flavonol]-A(1OH, 1OMe)-B(none) | Flavonol | Zuccagin |
| 0.067 | [Flavonol]-A(1OH, 1OMe)-B(none) | Flavonol | Galangin 5-methyl ether |
| 0.067 | [Flavonol]-A(1OH, 1OMe)-B(none) | Flavonol | Izalpinin |
| 0.056 | [Isoflavone]-A(2OH)-B(1OMe) | Isoflavone | Texasin |
| 0.056 | [Isoflavone]-A(2OH)-B(1OMe) | Isoflavone | Retusin(Dalbergia) |
| 0.056 | [Isoflavone]-A(2OH)-B(1OMe) | Isoflavone | Biochanin A |
| 0.056 | [Isoflavone]-A(2OH, 1OMe)-B(none) | Isoflavone | 5,7-Dihydroxy-6-methoxyisoflavone |
| 0.056 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | 7,2'-Dihydroxy-6-methoxyisoflavone |
| 0.056 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | Glycitein |
| 0.056 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | Kakkatin |
| 0.056 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | 5-O-Methylgenistein |
| 0.056 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | Prunetin |
| 0.056 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | 3'-Methoxydaidzein |
| 0.056 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | Calycosin |
| 0.056 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | Xenognosin B |
| 0.056 | [Isoflavone]-A(1OH)-B(1OH, 1OMe) | Isoflavone | Teralin |
| 0.000 | [Flavone]-A(1OH)-B(1OH, 1OMe) | Flavone | Geraldone |
| 0.000 | [Flavone]-A(1OH)-B(1OH, 1OMe) | Flavone | Farnisin |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OH) | Flavone | 7,2'-Dihydroxy-5-methoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OH) | Flavone | Echioidinin |
| 0.000 | [Flavone]-A(2OH)-B(1OMe) | Flavone | Acacetin |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OH) | Flavone | Thevetiaflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OH) | Flavone | Genkwanin |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | Baicalein 5-methyl ether |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | Oroxylin A |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | Negletein |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | 5,8-Dihydroxy-7-methoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(none) | Flavone | Wogonin |
| 0.000 | [Coumestan]-A(1OH)-B(2OH) | Coumestan | 7,10,12-Trihydroxycoumestan |
| 0.000 | [Coumestan]-A(2OH)-B(1OH) | Coumestan | Lucernol |
| 0.000 | [Coumestan]-A(2OH)-B(1OH) | Coumestan | Aureol |
| 0.000 | [Flavonol]-A(1OMe)-B(1OH) | Flavonol | 5-Deoxyrhamnocitrin |
| 0.000 | [Pterocarpan]-A(1OMe)-B(1OMe) | Pterocarpan | Baphinitone |
| 0.000 | [Aurone]-A(2OH, 1Methyl)-B(1OH) | Aurone | 4,6,4'-Trihydroxy-7-methylaurone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Methyl)-B(none) | 2'-Hydroxychalcone | Aurentiacin A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Methyl)-B(none) | 2'-Hydroxychalcone | Triangularin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Methyl)-B(none) | 2'-Hydroxychalcone | Stercurensin |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavanone | Comptonin |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavanone | 7-O-Methylstrobopinin |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavanone | 5-Hydroxy-7-methoxy-8-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OH, 2Methyl)-B(none) | Flavanone | 5,7-Dihydroxy-6,8-dimethylflavanone |
| 0.000 | [Flavone]-A(2OH, 1Methyl)-B(1OH) | Flavone | 6-Methylapigenin |
| 0.000 | [3-substituted Flavone (3-Methyl)]-A(2OH)-B(1OH) | 3-substituted Flavone | 3-C-Methylapigenin |
| 0.000 | [Flavone]-A(2OH)-B(1OH, 1Methyl) | Flavone | 5,7,4'-Trihydroxy-3'-C-methylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(none) | Flavonol | Galangin 3-methyl ether |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(none) | Flavonol | 8-C-Methylgalangin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxy-3-Dehydroxyanthocyanidin]-A(2OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxy-3-Dehydroxyanthocyanidin | Riccionidin A |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH, 1OMe)-B(1OH) | 3-DehydroxyAnthocyanidin | Carajuron |
| 0.000 | [Pterocarpan]-A(1OH)-B(1([@@]-Methylenedioxy)) | Pterocarpan | Maackiain |
| 0.000 | [Coumaranochromon]-A(2OH)-B(1OH) | Coumaranochromon | Lupinalbin A |
| 0.000 | [3-Phenylcoumarin]-A(1OH)-B(1OH, 1OMe) | 3-Phenylcoumarin | 7,2'-Dihydroxy-4'-methoxy-3-phenylcoumarin |
| 0.000 | [2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(1OH, 1OMe) | 2-Phenylbenzofuran | 2'-Hydroxy-4'-methoxy-5,6-methylenedioxy-2-phenylbenzofuran |
| 0.000 | [4-phenylcoumarin]-A(1OH)-B(1OH, 1OMe) | 4-phenylcoumarin | 7,3'-Dihydroxy-4'-methoxy-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH) | 4-phenylcoumarin | Stevenin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH) | 4-phenylcoumarin | Melannin |
| 0.000 | [4-phenylcoumarin]-A(2OH)-B(1OMe) | 4-phenylcoumarin | 5,7-Dihydroxy-4'-methoxy-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH) | 4-phenylcoumarin | 5,4'-Dihydroxy-7-methoxy-4-phenylcoumarin |
| 0.000 | [CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OH)-B(2OH) | CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin | 7,4',5'-Trihydroxy-5,2'-oxido-4-phenylcoumarin |
| 0.000 | [Dalbergiquinol]-A(3OMe)-B(none) | Dalbergiquinol | 2,4,5-Trimethoxydalbergiquinol |
| 0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(2OMe)-B(none) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 3,4-Dimethoxydalbergione |
| 0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OMe) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 4,4'-Dimethoxydalbergione |
| 0.000 | [Neoflavene]-A(1OH, 2OMe)-B(none) | Neoflavene | Kuhlmannene |
| Level: 3, プリカーサーm/z: 152.91934 |
| Splash: splash10-00di-2900000000-6bc5072432712b86f027 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 122.94 | 4291 | 30 | 1000 |
| 124.99 | 651 | 28 | 151 |
| 78.94 | 454 | 74 | 105 |
| 96.93 | 420 | 56 | 97 |
| 106.99 | 413 | 46 | 96 |
| 110.97 | 408 | 42 | 95 |
| 94.97 | 368 | 58 | 85 |
| 80.94 | 291 | 72 | 67 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 267.06857 |
| Splash: splash10-000i-0290000000-e69a7050aac13589f75f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 239.11 | 1211 | 28 | 1000 |
| 237.12 | 1195 | 30 | 986 |
| 249.12 | 952 | 18 | 786 |
| 209.03 | 736 | 58 | 607 |
| 211.05 | 519 | 56 | 428 |
| 181.04 | 481 | 86 | 397 |
| 91.01 | 403 | 176 | 332 |
| 178.96 | 392 | 88 | 323 |
| 221.03 | 383 | 46 | 316 |
| 157.12 | 232 | 110 | 191 |
| 225.14 | 222 | 42 | 183 |
| 191.12 | 207 | 76 | 170 |
| 252.04 | 179 | 15 | 148 |
| 193.00 | 176 | 74 | 145 |
| 195.95 | 170 | 71 | 140 |
| 206.85 | 167 | 60 | 137 |
| 226.97 | 140 | 40 | 115 |
| 194.02 | 131 | 73 | 108 |
| 235.15 | 92 | 32 | 75 |
| 104.98 | 92 | 162 | 75 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [2-substituted Isoflavone (2-Methyl)]-A(1OMe)-B(none) | 2-substituted Isoflavone | 7-Methoxy-2-methylisoflavone |