ピーク情報
|
（かんきつ類） グレープフルーツ 白肉種 砂じょう 生
pos
|
| Peak #8004 MN MID: SE118_S070621_M90 |
| m/z: 285.11215, RT: 88.67, 強度: 2464, ログ強度: 0.02, 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: 0.200, 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 | 0.052 | Mollugin | HMDB: HMDB0254836 KNApSAcK: C00030781 |
| C17H16O4 | 284.10486 | 0.052 | Batatasin I | HMDB: HMDB0038778 KEGG: C10246 KNApSAcK: C00000325 |
| C17H16O4 | 284.10486 | 0.052 | Isobatatasin I | KEGG: C10265 KNApSAcK: C00002886 |
| C17H16O4 | 284.10486 | 0.052 | Furopinnarin | KNApSAcK: C00037165 |
| C17H16O4 | 284.10486 | 0.052 | Pulchelstyrene D | KNApSAcK: C00042878 |
| C17H16O4 | 284.10486 | 0.052 | DL-Propylene glycol dibenzoate | HMDB: HMDB0040412 |
| C17H16O4 | 284.10486 | 0.052 | Racemofuran | KNApSAcK: C00056096 |
| C17H16O4 | 284.10486 | 0.052 | 4-[5-Formyl-3-methyl-pent-2E,4E-dien-1-yl]-5-methylcoumarin | KNApSAcK: C00019871 |
| C17H16O4 | 284.10486 | 0.052 | (-)-Cryptoresinol | KNApSAcK: C00000596 |
| C17H16O4 | 284.10486 | 0.052 | Stemofuran E | KNApSAcK: C00046422 |
| C17H16O4 | 284.10486 | 0.052 | Swietenocoumarin B | KNApSAcK: C00037872 |
| C17H16O4 | 284.10486 | 0.052 | Phenethyl caffeate | HMDB: HMDB0246033, HMDB0302344 KEGG: C10484 KNApSAcK: C00002766 |
| C17H16O4 | 284.10486 | 0.052 | Triangularin | FlavonoidViewer: FL1CA9NM0002 KNApSAcK: C00007041 LipidMAPS: LMPK12120222 |
| C17H16O4 | 284.10486 | 0.052 | Stercurensin | FlavonoidViewer: FL1CA9NM0003 HMDB: HMDB0037485, HMDB0245553 KNApSAcK: C00007042 LipidMAPS: LMPK12120223 |
| C17H16O4 | 284.10486 | 0.052 | 7,8-Dimethoxyflavanone | FlavonoidViewer: FL2F39NS0002 KNApSAcK: C00008130 LipidMAPS: LMPK12140090 |
| C17H16O4 | 284.10486 | 0.052 | Desmethoxymatteucinol | FlavonoidViewer: FL2FA9NM0006 HMDB: HMDB0030694 KNApSAcK: C00008168 LipidMAPS: LMPK12140192 |
| C17H16O4 | 284.10486 | 0.052 | Kuhlmannene | FlavonoidViewer: FLNE49NS0001 KNApSAcK: C00010267 LipidMAPS: LMPK12100079 |
| C17H16O4 | 284.10486 | 0.052 | (R)-3,4-Dimethoxydalbergione | FlavonoidViewer: FLND49NS0001 KNApSAcK: C00010255 LipidMAPS: LMPK12100076 |
| C17H16O4 | 284.10486 | 0.052 | Pinocembrin 5,7-dimethyl ether | FlavonoidViewer: FL2FA9NS0004 KNApSAcK: C00008145 LipidMAPS: LMPK12140217 |
| C17H16O4 | 284.10486 | 0.052 | 4-Hydroxy-2,4'-dimethoxychalcone | FlavonoidViewer: FL1CRTNS0002 KNApSAcK: C00006923 LipidMAPS: LMPK12120432 |
| C17H16O4 | 284.10486 | 0.052 | 7-O-Methylstrobopinin | FlavonoidViewer: FL2FA9NM0003 KNApSAcK: C00008165 LipidMAPS: LMPK12140189 |
| C17H16O4 | 284.10486 | 0.052 | 5-Hydroxy-7-methoxy-8-C-methylflavanone | FlavonoidViewer: FL2FA9NM0005 KNApSAcK: C00008167 LipidMAPS: LMPK12140191 |
| C17H16O4 | 284.10486 | 0.052 | (-)-Homopterocarpin | FlavonoidViewer: FLID1ANS0004 KNApSAcK: C00009613 LipidMAPS: LMPK12070031 |
| C17H16O4 | 284.10486 | 0.052 | Aurentiacin A | FlavonoidViewer: FL1CA9NM0001 KNApSAcK: C00007040 LipidMAPS: LMPK12120221 |
| C17H16O4 | 284.10486 | 0.052 | (S)-4,4'-Dimethoxydalbergione | FlavonoidViewer: FLND2ANS0002 KNApSAcK: C00010254 LipidMAPS: LMPK12100074 |
| C17H16O4 | 284.10486 | 0.052 | Flavokawin B | FlavonoidViewer: FL1CA9NS0004 HMDB: HMDB0033691 KNApSAcK: C00006936, C00045544, C00048941 LipidMAPS: LMPK12120246 |
| C17H16O4 | 284.10486 | 0.052 | Isoliquiritigenin 4,4'-dimethyl ether | FlavonoidViewer: FL1C1ANS0005 KNApSAcK: C00006929 LipidMAPS: LMPK12120100 |
| C17H16O4 | 284.10486 | 0.052 | 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: 285.11160 |
| Splash: splash10-004l-0090000000-1c192d3fa68107052daf |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 229.04 | 6140 | 56 | 1000 |
| 243.05 | 4314 | 42 | 702 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Coumestan]-A(1OH)-B(2OH) | Coumestan | 7,10,12-Trihydroxycoumestan |
| 0.200 | [Coumestan]-A(2OH)-B(1OH) | Coumestan | Lucernol |
| 0.200 | [Coumestan]-A(2OH)-B(1OH) | Coumestan | Aureol |
| 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 | [Flavanone]-A(2OMe)-B(none) | Flavanone | 7,8-Dimethoxyflavanone |
| 0.083 | [Flavanone]-A(2OMe)-B(none) | Flavanone | Pinocembrin 5,7-dimethyl ether |
| 0.083 | [Chalcone]-A(1OMe)-B(1OH, 1OMe) | Chalcone | Glypallichalcone |
| 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 |
| 0.067 | [Flavonol]-A(1OMe)-B(1OH) | Flavonol | 5-Deoxyrhamnocitrin |
| 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 | [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: 229.04315 |
| Splash: splash10-0udi-0090000000-2200c7ae032735edca6c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 201.09 | 1498 | 28 | 1000 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 243.04840 |
| Splash: splash10-004i-0090000000-9584e99ff370bf51c75b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 228.14 | 1181 | 15 | 1000 |
| 215.14 | 335 | 28 | 283 |
| 187.18 | 63 | 56 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Isoflavan]-A(1OH)-B(1OH) | Isoflavan | Equol |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(none) | Dihydrochalcone | 2',4'-Dihydroxydihydrochalcone |
| 0.000 | [Flavan]-A(1OH)-B(1OH) | Flavan | 7,4'-Dihydroxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(none) | Flavan | 5,7-Dihydroxyflavan |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(2OH) | 2-Phenylbenzofuran | 6,2',4'-Trihydroxy-2-phenylbenzofuran |