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
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| Peak #7272 MN MID: SE118_S070621_M90 |
| m/z: 353.13837, RT: 67.15, 強度: 1575, ログ強度: -0.17, 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: (58 names) 3-Hydroxy-8,9-methylenedioxy-2-prenylpterocarpan;Lansiumarin A;Ovaliflavanone C;Artonin U;Edulenanol;5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone;Glyurallin A;7,4'-Dihydroxy-5-met... |
| DBごとのヒット数: ALL 46 KG 3 KN 37 HM 5 LM 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 |
|---|---|---|---|---|
| C21H20O5 | 352.13107 | 0.047 | Edunol | FlavonoidViewer: FLID1CNI0001 KNApSAcK: C00009651 LipidMAPS: LMPK12070040 |
| C21H20O5 | 352.13107 | 0.047 | Lansiumarin A | HMDB: HMDB0034837 |
| C21H20O5 | 352.13107 | 0.047 | Artonin U | FlavonoidViewer: FL3FCANI0001 HMDB: HMDB0041113 KNApSAcK: C00013410 LipidMAPS: LMPK12111015 |
| C21H20O5 | 352.13107 | 0.047 | Ovaliflavanone C | FlavonoidViewer: FL2F1CNI0001 KNApSAcK: C00008285 LipidMAPS: LMPK12140069 |
| C21H20O5 | 352.13107 | 0.047 | Edulenanol | FlavonoidViewer: FLIDBANP0001 KNApSAcK: C00009653 LipidMAPS: LMPK12070097 |
| C21H20O5 | 352.13107 | 0.047 | 5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone | FlavonoidViewer: FL2FABNP0001 KNApSAcK: C00014231 LipidMAPS: LMPK12140354 |
| C21H20O5 | 352.13107 | 0.047 | Glyurallin A | HMDB: HMDB0031993 |
| C21H20O5 | 352.13107 | 0.047 | 5-O-Methyllupiwighteone | FlavonoidViewer: FLIABANI0001 KNApSAcK: C00009898 LipidMAPS: LMPK12050336 |
| C21H20O5 | 352.13107 | 0.047 | 8-(1,1-Dimethylallyl)-3-methylgalangin | KEGG: C11579 |
| C21H20O5 | 352.13107 | 0.047 | Pervillinine | KNApSAcK: C00019152 |
| C21H20O5 | 352.13107 | 0.047 | Gancaonin G | FlavonoidViewer: FLIACANI0001 HMDB: HMDB0038480 KNApSAcK: C00009888 LipidMAPS: LMPK12050352 |
| C21H20O5 | 352.13107 | 0.047 | Artonol A | HMDB: HMDB0030487 KNApSAcK: C00029739 |
| C21H20O5 | 352.13107 | 0.047 | Vismiaquinone | KNApSAcK: C00032493 |
| C21H20O5 | 352.13107 | 0.047 | Zygolone A | KNApSAcK: C00034354 |
| C21H20O5 | 352.13107 | 0.047 | 1-Methoxyphaseollin | HMDB: HMDB0041172 |
| C21H20O5 | 352.13107 | 0.047 | Leiocin | FlavonoidViewer: FLIC1LNP0006 KNApSAcK: C00009728 LipidMAPS: LMPK12080017 |
| C21H20O5 | 352.13107 | 0.047 | Demethylpraecanson B | FlavonoidViewer: FL1CHYNP0001 KNApSAcK: C00007001 LipidMAPS: LMPK12120385 |
| C21H20O5 | 352.13107 | 0.047 | Neorautane | FlavonoidViewer: FLID1CNP0003 KNApSAcK: C00009652 LipidMAPS: LMPK12070047 |
| C21H20O5 | 352.13107 | 0.047 | Isozygolone A | KNApSAcK: C00033963 |
| C21H20O5 | 352.13107 | 0.047 | 7-Prenyloxy-3'-hydroxy-4'-methoxyisoflavone | FlavonoidViewer: FLIA1CNI0002 KNApSAcK: C00009811 LipidMAPS: LMPK12050050 |
| C21H20O5 | 352.13107 | 0.047 | Gancanin M | FlavonoidViewer: FLIAABNI0002 HMDB: HMDB0038903 KNApSAcK: C00009897 LipidMAPS: LMPK12050226 |
| C21H20O5 | 352.13107 | 0.047 | Xanthohumol C | FlavonoidViewer: FL1CBANP0001 HMDB: HMDB0030234 KNApSAcK: C00014476 LipidMAPS: LMPK12120297 |
| C21H20O5 | 352.13107 | 0.047 | Erylatissin A | KNApSAcK: C00035168 |
| C21H20O5 | 352.13107 | 0.047 | Daldinone D | KNApSAcK: C00038919 |
| C21H20O5 | 352.13107 | 0.047 | Puemiricarpene | KNApSAcK: C00019300 |
| C21H20O5 | 352.13107 | 0.047 | Pervilline | KNApSAcK: C00019151 |
| C21H20O5 | 352.13107 | 0.047 | Erypoegin F | KNApSAcK: C00018960 |
| C21H20O5 | 352.13107 | 0.047 | 5,7-Dihydroxy-4'-methoxy-3'-prenylisoflavone | KNApSAcK: C00019018 |
| C21H20O5 | 352.13107 | 0.047 | Citrunobin | FlavonoidViewer: FL1CCANP0001 HMDB: HMDB0035129 KNApSAcK: C00007098 LipidMAPS: LMPK12120308 |
| C21H20O5 | 352.13107 | 0.047 | (+)-Tephrosone | FlavonoidViewer: FL1CA9NF0001 KNApSAcK: C00014440 LipidMAPS: LMPK12120208 |
| C21H20O5 | 352.13107 | 0.047 | 8-(3,3-Dimethylallyl)-3-methylgalangin | KEGG: C11578 |
| C21H20O5 | 352.13107 | 0.047 | Sigmoidin H | KNApSAcK: C00019596 |
| C21H20O5 | 352.13107 | 0.047 | 1-Methoxyphaseollin | KNApSAcK: C00052576 |
| C21H20O5 | 352.13107 | 0.047 | 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one | HMDB: HMDB0250024 |
| C21H20O5 | 352.13107 | 0.047 | Bolucarpan D | KNApSAcK: C00019295 |
| C21H20O5 | 352.13107 | 0.047 | Emoroidone | KNApSAcK: C00019425 |
| C21H20O5 | 352.13107 | 0.047 | Glabroisoflavanone B | KNApSAcK: C00031816 |
| C21H20O5 | 352.13107 | 0.047 | 4'-Dehydroxycabenegrin A-I | KNApSAcK: C00019456 |
| C21H20O5 | 352.13107 | 0.047 | Gancaonin A | FlavonoidViewer: FLIAABNI0001 HMDB: HMDB0038481 KNApSAcK: C00009887 LipidMAPS: LMPK12050225 |
| C21H20O5 | 352.13107 | 0.047 | Pongachalcone II | FlavonoidViewer: FL1C1ANP0008 KNApSAcK: C00007094 LipidMAPS: LMPK12120083 |
| C21H20O5 | 352.13107 | 0.047 | Epoxyobovatachalcone | FlavonoidViewer: FL1CA9NP0009 KNApSAcK: C00014444 LipidMAPS: LMPK12120236 |
| C21H20O5 | 352.13107 | 0.047 | Neorauflavene | FlavonoidViewer: FLICWXNP0002 KNApSAcK: C00009756 LipidMAPS: LMPK12080061 |
| C21H20O5 | 352.13107 | 0.047 | Sterequinone B | KNApSAcK: C00037845 |
| C21H20O5 | 352.13107 | 0.047 | LipidMAPS: LMPK12140711 |
|
| C22H16ON4 | 352.13241 | -3.751 | Sudan III | HMDB: HMDB0258559 KEGG: C19527 |
| C22H16ON4 | 352.13241 | -3.751 | Cerasin | HMDB: HMDB0301906 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 353.13818 |
| Splash: splash10-0udi-0091000000-41d3db12df1307e69723 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 203.00 | 946 | 150 | 1000 |
| 335.27 | 139 | 18 | 147 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | 2'-Hydroxychalcone | Pongachalcone II |
| 0.167 | [Flavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Yinyanghuo E |
| 0.105 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | 3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone |
| 0.105 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | Citrusinol |
| 0.091 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Xanthohumol C |
| 0.091 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Citrunobin |
| 0.083 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | 5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| 0.077 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavone | Cycloartocarpesin |
| 0.071 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Semilicoisoflavone B |
| 0.071 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Licoisoflavone B |
| 0.071 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Sophoraisoflavone A |
| 0.071 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | 5,3',4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavone |
| 0.071 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Parvisoflavone A |
| 0.071 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Parvisoflavone B |
| 0.067 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Ovalichalcone |
| 0.067 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe) | 2'-Hydroxychalcone | 4'-O-Methylbavachalcone |
| 0.063 | [Flavanone]-A(2OMe, 1(C-Prenyl))-B(none) | Flavanone | Candidone |
| 0.043 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Isoflavone | Gancaonin G |
| 0.043 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Isoflavone | 5-O-Methyllupiwighteone |
| 0.043 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe) | Isoflavone | Gancaonin A |
| 0.043 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe) | Isoflavone | Gancanin M |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavone | Artonin U |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan | Edulenanol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | 2'-Hydroxychalcone | Tephrosone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(4,5-Epoxy-6,6-dimethyl-4,5-dihydropyrano)))-B(none) | 2'-Hydroxychalcone | Epoxyobovatachalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | Demethylpraecanson B |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1(C-Prenyl))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | Pongagallone A |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Flavanone | Ovaliflavanone C |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH)-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cyclocommunol |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavonol | 3,5,6-Trimethoxyfurano[2,3:7,8]flavone |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flavan 4-ol | Methylhildgardtol A |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 4-ol | Methylhildgardtol B |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 4-ol | Xuulanin |
| 0.000 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | Isoflavone | Crotarin |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Isoflavone | Lupinisoflavone A |
| 0.000 | [Isoflavan]-A(1([@@]-Methylenedioxy))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Leiocin |
| 0.000 | [isoflavene]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | isoflavene | Neorauflavene |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Edunol |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautane |
| 0.000 | [Coumestan]-A(1OH, 1(3-Methyl-2,3-epoxybutyl))-B(1OH) | Coumestan | Psoralidin oxide |
| 0.000 | [Coumestan]-A(1OH)-B(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Coumestan | Bavacoumestan B |
| 0.000 | [Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Coumestan | Bavacoumestan A |
| 0.000 | [Rotenone]-A(1([2,3:@@]-Furano))-B(2OMe) | Rotenone | Elliptone |
| 0.000 | [Rotenone]-A(1([2,3:@@]-Furano))-B(2OMe) | Rotenone | Erosone |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | 12a-Hydroxydolineone |
| 0.000 | [Coumaranochromon]-A(2OH)-B(1OH, 1(C-Prenyl)) | Coumaranochromon | Lupinalbin D |
| 0.000 | [Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(1OH) | Coumaranochromon | Lupinalbin B |