ピーク情報
|
（くり類） 日本ぐり 生
pos
|
| Peak #3733 MN MID: SE123_S050101_M90 |
| m/z: 379.17518, RT: 48.44, 強度: 2145, ログ強度: -0.09, アダクト: [M+CH3OH+H]+, 共有数（同様のピークを含むサンプル数）: 7 |
| DB検索結果: (65 names) Dihydrokanakugiol;3-Hydroxy-2,4,6,7,8-pentamethoxy-9,10-dihydrophenanthrene;Gibberellin A126;Sorgomol;Repdiolide;[3aS-(3aalpha,4beta,5beta,6alpha,7alpha,7abeta)]-6-Ethenyl-5-(1-formylethenyl)octahydro... |
| DBごとのヒット数: ALL 59 KG 10 KN 42 HM 6 LM 1 |
| FlavonoidSearch最大スコア MS2: -, 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 |
|---|---|---|---|---|
| C19H22O6 | 346.14164 | 0.144 | Dihydrokanakugiol | FlavonoidViewer: FL1DG9NS0002 KNApSAcK: C00007946 LipidMAPS: LMPK12120563 |
| C19H22O6 | 346.14164 | 0.144 | 3-Hydroxy-2,4,6,7,8-pentamethoxy-9,10-dihydrophenanthrene | KNApSAcK: C00015426 |
| C19H22O6 | 346.14164 | 0.144 | Gibberellin A126 | HMDB: HMDB0038314 KNApSAcK: C00007868 |
| C19H22O6 | 346.14164 | 0.144 | Sorgomol | KNApSAcK: C00053790 |
| C19H22O6 | 346.14164 | 0.144 | [3aS-(3aalpha,4beta,5beta,6alpha,7alpha,7abeta)]-6-Ethenyl-5-(1-formylethenyl)octahydro-4-hydroxy-6-methyl-3-methylene-2-oxo-7-benzofuranyl ester 2-methyl-2-propenoic acid | KNApSAcK: C00011983 |
| C19H22O6 | 346.14164 | 0.144 | Repdiolide | KNApSAcK: C00020735 |
| C19H22O6 | 346.14164 | 0.144 | Diosbulbin E | HMDB: HMDB0036779 |
| C19H22O6 | 346.14164 | 0.144 | Gibberellin A68 | HMDB: HMDB0035609 KNApSAcK: C00000068 |
| C19H22O6 | 346.14164 | 0.144 | Eremantholide C | KNApSAcK: C00012404 |
| C19H22O6 | 346.14164 | 0.144 | Gibberellin A94 | HMDB: HMDB0031365 KNApSAcK: C00000294 |
| C19H22O6 | 346.14164 | 0.144 | Vernopectolide B | KNApSAcK: C00011857 |
| C19H22O6 | 346.14164 | 0.144 | Kingiolide | KNApSAcK: C00021119 |
| C19H22O6 | 346.14164 | 0.144 | Hallactone A | KEGG: C09104 KNApSAcK: C00000276 |
| C19H22O6 | 346.14164 | 0.144 | Gibberellin A80 | HMDB: HMDB0036892 KNApSAcK: C00000080 |
| C19H22O6 | 346.14164 | 0.144 | 1,2-Dehydrozexbrevin | KNApSAcK: C00011882 |
| C19H22O6 | 346.14164 | 0.144 | Murrangatin acetate | KNApSAcK: C00051671 |
| C19H22O6 | 346.14164 | 0.144 | Tomenphantin B | KNApSAcK: C00049405 |
| C19H22O6 | 346.14164 | 0.144 | [3aS-(3aalpha,4beta,5beta,6alpha,7abataethenyl-5-(1-formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid | KNApSAcK: C00011982 |
| C19H22O6 | 346.14164 | 0.144 | 19-Deoxyjanerin | KNApSAcK: C00020594 |
| C19H22O6 | 346.14164 | 0.144 | Junosmarin | HMDB: HMDB0033290 KNApSAcK: C00051087 |
| C19H22O6 | 346.14164 | 0.144 | 8alpha-Acetoxyzaluzanin D | KNApSAcK: C00020506 |
| C19H22O6 | 346.14164 | 0.144 | (+)-Taxiresinol | HMDB: HMDB0258751 KNApSAcK: C00007200 |
| C19H22O6 | 346.14164 | 0.144 | Zexbrevin | KNApSAcK: C00012113 |
| C19H22O6 | 346.14164 | 0.144 | Cynaropicrin | HMDB: HMDB0036423 KEGG: C09385, C09547 KNApSAcK: C00003243, C00003366 |
| C19H22O6 | 346.14164 | 0.144 | Antheridic acid | KEGG: C09062 |
| C19H22O6 | 346.14164 | 0.144 | 3,4,7-Trihydroxy-5,4'-dimethoxy-6,8-dimethylflavan | FlavonoidViewer: FL6DBBNM0001 KNApSAcK: C00009024 LipidMAPS: LMPK12020214 |
| C19H22O6 | 346.14164 | 0.144 | Gibberellin A3 | HMDB: HMDB0003559, HMDB0252716 KEGG: C01699 KNApSAcK: C00000003 LipidMAPS: LMPR0104170002 |
| C19H22O6 | 346.14164 | 0.144 | 8-Hydroxy-3',4',5',7-tetramethoxyflavan | HMDB: HMDB0040309 |
| C19H22O6 | 346.14164 | 0.144 | Gibberellin A34-catabolite | HMDB: HMDB0304361 KEGG: C11869 LipidMAPS: LMPR0104170026 |
| C19H22O6 | 346.14164 | 0.144 | 8alpha-Epoxymethylacrylyloxyambrosin | KNApSAcK: C00038329 |
| C19H22O6 | 346.14164 | 0.144 | 9E-Millerenolide | KNApSAcK: C00011849 |
| C19H22O6 | 346.14164 | 0.144 | Ferupennin B | KNApSAcK: C00045933 |
| C19H22O6 | 346.14164 | 0.144 | Isotaxiresinol | HMDB: HMDB0253695 KNApSAcK: C00007207 |
| C19H22O6 | 346.14164 | 0.144 | Acroptin | KNApSAcK: C00020503 |
| C19H22O6 | 346.14164 | 0.144 | Gibberellin A30 | HMDB: HMDB0303477 KNApSAcK: C00000030 |
| C19H22O6 | 346.14164 | 0.144 | Gibberellin A29-catabolite | HMDB: HMDB0304360 KEGG: C11855 LipidMAPS: LMPR0104170012 |
| C19H22O6 | 346.14164 | 0.144 | Orobanchol | KNApSAcK: C00037587 |
| C19H22O6 | 346.14164 | 0.144 | Gibberellin A22 | HMDB: HMDB0036891 KNApSAcK: C00000022 |
| C19H22O6 | 346.14164 | 0.144 | Cajucarinolide | KNApSAcK: C00042330 |
| C19H22O6 | 346.14164 | 0.144 | Strigol | HMDB: HMDB0036677 KEGG: C09190 KNApSAcK: C00003486 |
| C19H22O6 | 346.14164 | 0.144 | Hemistepsin | KNApSAcK: C00030468 |
| C19H22O6 | 346.14164 | 0.144 | Magnolianone | KNApSAcK: C00039711 |
| C19H22O6 | 346.14164 | 0.144 | 1,7-bis(3,4-Dihydroxyphenyl)-5-hydroxy-3-heptanone | KNApSAcK: C00031488 |
| C19H22O6 | 346.14164 | 0.144 | Ciliarin | KNApSAcK: C00012115 |
| C19H22O6 | 346.14164 | 0.144 | Diosbulbin G | HMDB: HMDB0036782 |
| C19H22O6 | 346.14164 | 0.144 | 1(10)E-Millerenolide | KNApSAcK: C00011848 |
| C19H22O6 | 346.14164 | 0.144 | LipidMAPS: LMPR0103090023 |
|
| C19H22O6 | 346.14164 | 0.144 | Gibberellin A6 | HMDB: HMDB0303476 KEGG: C11856 KNApSAcK: C00000006 LipidMAPS: LMPR0104170013 |
| C19H22O6 | 346.14164 | 0.144 | Ponalactone A | KEGG: C09174 KNApSAcK: C00000278 |
| C19H22O6 | 346.14164 | 0.144 | Gibberellin A92 | HMDB: HMDB0040648 KNApSAcK: C00000224 |
| C19H22O6 | 346.14164 | 0.144 | Alectrol | HMDB: HMDB0041372 |
| C19H22O6 | 346.14164 | 0.144 | Cedrusin | KNApSAcK: C00053131 |
| C19H22O6 | 346.14164 | 0.144 | 5'-Hydroxy-3',4',7,8-tetramethoxyflavan | HMDB: HMDB0040310 |
| C19H22O6 | 346.14164 | 0.144 | Brittonin B | KNApSAcK: C00015297 |
| C19H22O6 | 346.14164 | 0.144 | Molephantin | KEGG: C09512 KNApSAcK: C00003333 |
| C20H18O2N4 | 346.14298 | -3.719 | Lepidine E | HMDB: HMDB0033095 KNApSAcK: C00028462 |
| C20H18O2N4 | 346.14298 | -3.719 | Lepidine F | HMDB: HMDB0033094 |
| C20H18O2N4 | 346.14298 | -3.719 | Lepidine D | HMDB: HMDB0032716 KNApSAcK: C00028461 |
| C20H18O2N4 | 346.14298 | -3.719 | Lepidine B | HMDB: HMDB0032715 KNApSAcK: C00028459 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 379.17514 |
| Splash: splash10-03e9-0029000000-e16c792f7fa888d58a76 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 361.10 | 617 | 18 | 1000 |
| 333.00 | 384 | 46 | 622 |
| 289.18 | 220 | 90 | 357 |
| 271.35 | 36 | 108 | 58 |
| 166.80 | 36 | 212 | 57 |
| 315.08 | 34 | 64 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(2-hydroxybenzyl))-B(none) | Dihydrochalcone | Isouvaretin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(2-hydroxybenzyl))-B(none) | Dihydrochalcone | Uvaretin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(2-hydroxybenzyl))-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxy-3'-(2-hydroxybenzyl)dihydrochalcone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(5,6-Dihydroxybenzofurano)))-B(1OH) | Flavanone | Anastatin A |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(5,6-Dihydroxybenzofurano)))-B(1OH) | Flavanone | Anastatin B |
| 0.000 | [Flavone]-A(1([2,3:@@]-(8,8-Dimethyl-9-hydroxy-6-oxo-1,7-dioxaspiro[4,4]non-2-ene)))-B(none) | Flavone | Glabratephrinol |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Isopongachromene |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | 5-Methoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavonol | Pongachromene |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1Cl) | Flavonol | Chlorflavonin |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Isojamaicin |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Jamaicin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Durmillone |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Robustone methyl ether |
| 0.000 | [Isoflavone]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy)) | Isoflavone | Glabrescione A |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy)) | Rotenone | Isomillettone |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Rotenone | Millettone |