ピーク情報
|
きく 花びら 生 ピンク
pos
|
| Peak #4540 MN MID: SE123_S060582_M90 |
| m/z: 307.15386, RT: 64.85, 強度: 35922, ログ強度: 1.11, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (87 names) [3aS-(3aalpha,5abeta,7alpha,9aalpha,9balpha)]-7-(Acetyloxy)decahydro-9a-hydroxy-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one;beta-Liriodenolide;[3aR-(3aalpha,4beta,5abeta,6beta,9aalpha,9b... |
| DBごとのヒット数: ALL 67 KG 12 KN 55 |
| FlavonoidSearch最大スコア MS2: 0.133, 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 |
|---|---|---|---|---|
| C17H22O5 | 306.14672 | -0.451 | [3aS-(3aalpha,5abeta,7alpha,9aalpha,9balpha)]-7-(Acetyloxy)decahydro-9a-hydroxy-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one | KNApSAcK: C00012990 |
| C17H22O5 | 306.14672 | -0.451 | beta-Liriodenolide | KNApSAcK: C00012982 |
| C17H22O5 | 306.14672 | -0.451 | 3-Hydroxy-4,6,6-trimethyl-1,4-Cyclohexadiene-1-carboxaldehyde 2-(hydroxymethyl)crotonate acetate | KNApSAcK: C00010983 |
| C17H22O5 | 306.14672 | -0.451 | (E,E)-5-[5-[4-(Acetyloxy)-2-methyl-2-butenyl]-2,5-dihydro-2-oxo-3-furanyl]-2-methyl-2-pentenal | KNApSAcK: C00011390 |
| C17H22O5 | 306.14672 | -0.451 | Asperentin-8-methyl ether | KNApSAcK: C00041361 |
| C17H22O5 | 306.14672 | -0.451 | 3-Hydroxy-4,6,6-trimethyl-1,4-Cyclohexadiene-1-carboxaldehyde 4-hydroxy-3-methylcrotonate acetate | KNApSAcK: C00010984 |
| C17H22O5 | 306.14672 | -0.451 | Acetoxyanthecotulide | KNApSAcK: C00041307 |
| C17H22O5 | 306.14672 | -0.451 | [3aR-(3aalpha,5abeta,7alpha,9balpha)]-7-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-3a-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one | KNApSAcK: C00012993 |
| C17H22O5 | 306.14672 | -0.451 | Lipiferolide | KEGG: C09497 KNApSAcK: C00003319, C00033757 |
| C17H22O5 | 306.14672 | -0.451 | 8alpha-Acetoxytaurin | KNApSAcK: C00013074 |
| C17H22O5 | 306.14672 | -0.451 | Xanthinin | KEGG: C09602, C09603 KNApSAcK: C00000313, C00003395 |
| C17H22O5 | 306.14672 | -0.451 | Achillicin | HMDB: HMDB0036487 KNApSAcK: C00020476 |
| C17H22O5 | 306.14672 | -0.451 | Calocephalin acetate | KNApSAcK: C00020895 |
| C17H22O5 | 306.14672 | -0.451 | Viscidulin A | KNApSAcK: C00020691 |
| C17H22O5 | 306.14672 | -0.451 | gamma-Liriodenolide | KNApSAcK: C00012978 |
| C17H22O5 | 306.14672 | -0.451 | [4aS-(4aalpha,8beta,8abeta,9abeta)]-8-(Acetyloxy)-4a,7,8,8a,9,9a-hexahydro-9a-hydroxy-3,5,8a-trimethyl-naphtho[2,3-b]furan-2(4H)-one | KNApSAcK: C00012870 |
| C17H22O5 | 306.14672 | -0.451 | Maxicanin G | KNApSAcK: C00020896 |
| C17H22O5 | 306.14672 | -0.451 | Inuchinenolide B | KNApSAcK: C00020882 |
| C17H22O5 | 306.14672 | -0.451 | Jurmolide | KNApSAcK: C00020539 |
| C17H22O5 | 306.14672 | -0.451 | Phomadecalin B | KNApSAcK: C00045371 |
| C17H22O5 | 306.14672 | -0.451 | Tenulin | KEGG: C09557 KNApSAcK: C00003372 |
| C17H22O5 | 306.14672 | -0.451 | Ovatifolin | KEGG: C09522 KNApSAcK: C00003343 |
| C17H22O5 | 306.14672 | -0.451 | [R-[R*,R*-(E,E)]]- 8-(Acetyloxy)-2,6-dimethyl-8-(tetrahydro-4-methylene-5-oxo-3-furanyl)-2,6-octadienal | KNApSAcK: C00012411 |
| C17H22O5 | 306.14672 | -0.451 | Cumambrin A | HMDB: HMDB0303513 KNApSAcK: C00020478 |
| C17H22O5 | 306.14672 | -0.451 | (+)-Heliangolidin | KNApSAcK: C00011757 |
| C17H22O5 | 306.14672 | -0.451 | (+)-beta-Cyclopyrethrosin | KNApSAcK: C00012866 |
| C17H22O5 | 306.14672 | -0.451 | [3aR-(3aalpha,7alpha,8beta,8abeta,9abeta)]-7-(acetyloxy)-3a,4,6,7,8,8a,9,9a-octahydro-8-hydroxy-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one | KNApSAcK: C00012864 |
| C17H22O5 | 306.14672 | -0.451 | Eupaformonin | KEGG: C09431 KNApSAcK: C00003269, C00030486 |
| C17H22O5 | 306.14672 | -0.451 | Viscidulin B | KEGG: C09587 KNApSAcK: C00003392 |
| C17H22O5 | 306.14672 | -0.451 | Confertiflorin | KEGG: C09374 KNApSAcK: C00003235 |
| C17H22O5 | 306.14672 | -0.451 | 9alpha-Acetoxyparthenolide | KNApSAcK: C00012108 |
| C17H22O5 | 306.14672 | -0.451 | 3-Acetoxy-13-hydroxy-1(10),4,7(11)-germacratrien-12,6-olide | KNApSAcK: C00000132 |
| C17H22O5 | 306.14672 | -0.451 | Gaillardin | KEGG: C09455 KNApSAcK: C00003288, C00020887 |
| C17H22O5 | 306.14672 | -0.451 | Bryopterin B | KNApSAcK: C00044111 |
| C17H22O5 | 306.14672 | -0.451 | Ligulatin B | KEGG: C09494 KNApSAcK: C00003316 |
| C17H22O5 | 306.14672 | -0.451 | Michefuscalide | KNApSAcK: C00020472 |
| C17H22O5 | 306.14672 | -0.451 | Rhaphidecurperoxin | KNApSAcK: C00046355 |
| C17H22O5 | 306.14672 | -0.451 | 5-Oxolasiodiplodin | KNApSAcK: C00036603 |
| C17H22O5 | 306.14672 | -0.451 | Pulchellin E | KNApSAcK: C00012873 |
| C17H22O5 | 306.14672 | -0.451 | Naematolon | HMDB: HMDB0035781 KNApSAcK: C00012495 |
| C17H22O5 | 306.14672 | -0.451 | Pyrethrosin | KEGG: C09536 KNApSAcK: C00003357 |
| C17H22O5 | 306.14672 | -0.451 | Tulirinol | KNApSAcK: C00012329 |
| C17H22O5 | 306.14672 | -0.451 | (+)-Artegallin | KNApSAcK: C00013060 |
| C17H22O5 | 306.14672 | -0.451 | 13-Acetoxy-3-hydroxy-1(10),4,7(11)-germacratrien-12,6-olide | KNApSAcK: C00000133 |
| C17H22O5 | 306.14672 | -0.451 | Eremofortin A | KNApSAcK: C00016972 |
| C17H22O5 | 306.14672 | -0.451 | Montathanolide | KNApSAcK: C00012961 |
| C17H22O5 | 306.14672 | -0.451 | Chihuahuin | KNApSAcK: C00011783 |
| C17H22O5 | 306.14672 | -0.451 | [10S-(6E,10R*,11aS*)]-3-[(acetyloxy)methyl]-5,8,11,11a-Tetrahydro-6,10-dimethylcyclodeca[b]furan-2,9(4H,10H)-dione | KNApSAcK: C00012212 |
| C17H22O5 | 306.14672 | -0.451 | 2alpha-Acetoxyeupatolide | KNApSAcK: C00022640 |
| C17H22O5 | 306.14672 | -0.451 | Soulangianolide B | KNApSAcK: C00012335 |
| C17H22O5 | 306.14672 | -0.451 | Perymeniolide | KNApSAcK: C00011826, C00011827 |
| C17H22O5 | 306.14672 | -0.451 | 15-Acetoxy-8alpha-hydroxycostunolide | KNApSAcK: C00011818 |
| C17H22O5 | 306.14672 | -0.451 | Ludalbin | KNApSAcK: C00012973, C00012975 |
| C17H22O5 | 306.14672 | -0.451 | Dihydrochrysanolide | KNApSAcK: C00054383 |
| C17H22O5 | 306.14672 | -0.451 | Heleniamarin | KNApSAcK: C00021185 |
| C17H22O5 | 306.14672 | -0.451 | 6alpha-Acetoxy-4alpha-hydroxy-9,11(13)-guaiadien-12,8alpha-olide | KNApSAcK: C00020930 |
| C17H22O5 | 306.14672 | -0.451 | Isoheleniamarin | KNApSAcK: C00021136 |
| C17H22O5 | 306.14672 | -0.451 | Arnicolide A | KEGG: C09299, C09487 KNApSAcK: C00003217, C00003309 |
| C17H22O5 | 306.14672 | -0.451 | Ergolide | KNApSAcK: C00021090 |
| C17H22O5 | 306.14672 | -0.451 | Inuchinenolide A | KNApSAcK: C00020343 |
| C17H22O5 | 306.14672 | -0.451 | Matricin | HMDB: HMDB0036643, HMDB0302864 KEGG: C09499 KNApSAcK: C00003321, C00020471 LipidMAPS: LMPR0103410003 |
| C17H22O5 | 306.14672 | -0.451 | Parvifoliol B | KNApSAcK: C00056046 |
| C17H22O5 | 306.14672 | -0.451 | Crassinervic acid | KNApSAcK: C00043411 |
| C17H22O5 | 306.14672 | -0.451 | Zaluzanin B | KNApSAcK: C00021279 |
| C17H22O5 | 306.14672 | -0.451 | 15-O-Acetylamphoricarpolide | KNApSAcK: C00035781 |
| C17H22O5 | 306.14672 | -0.451 | Pulchellin B | KNApSAcK: C00012872 |
| C17H22O5 | 306.14672 | -0.451 | Isoludalbin | KNApSAcK: C00012972 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 307.15341 |
| Splash: splash10-004i-0090000000-e0f6bb550360915b3fb9 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 229.06 | 1286 | 78 | 1000 |
| 289.24 | 307 | 18 | 238 |
| 246.99 | 273 | 60 | 212 |
| 288.53 | 84 | 19 | 65 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.133 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Lonchocarpin |
| 0.125 | [Flavan 3-ol]-A(2OH)-B(3OH) | Flavan 3-ol | Gallocatechin |
| 0.063 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Isolonchocarpin |
| 0.000 | [Aurone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Aurone | 3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone |
| 0.000 | [Flavan 3,4-diol]-A(1OH)-B(3OH) | Flavan 3,4-diol | 3,4,7,3',4',5'-Hexahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(2OH) | Flavan 3,4-diol | 3,4,7,8,3',4'-Hexahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(2OH) | Flavan 3,4-diol | Catechin-4-ol |
| 0.000 | [Pterocarpene]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpene | Neoduleen |
| Level: 3, プリカーサーm/z: 229.06189 |
| Splash: splash10-03e9-0950000000-9a74b7a5f5105d2368dd |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 211.19 | 214 | 18 | 1000 |
| 183.13 | 157 | 46 | 734 |
| 181.16 | 56 | 48 | 263 |
| 157.03 | 46 | 72 | 216 |
| 185.26 | 36 | 44 | 167 |
| 143.05 | 35 | 86 | 162 |
| 201.17 | 33 | 28 | 154 |
| 193.22 | 33 | 36 | 154 |
| 187.12 | 16 | 42 | 73 |
| 169.09 | 14 | 60 | 67 |
| 200.48 | 13 | 29 | 62 |
FlavonoidSearch結果
ヒットなし