ピーク情報
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きく 花びら 生 ピンク
pos
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| Peak #4697 MN MID: SE123_S060582_M90 |
| m/z: 338.19611, RT: 68.75, 強度: 12136, ログ強度: 0.64, アダクト: [M+CH5N+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| 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: -, 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 | -0.282 | [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 | -0.282 | beta-Liriodenolide | KNApSAcK: C00012982 |
| C17H22O5 | 306.14672 | -0.282 | 3-Hydroxy-4,6,6-trimethyl-1,4-Cyclohexadiene-1-carboxaldehyde 2-(hydroxymethyl)crotonate acetate | KNApSAcK: C00010983 |
| C17H22O5 | 306.14672 | -0.282 | (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 | -0.282 | Asperentin-8-methyl ether | KNApSAcK: C00041361 |
| C17H22O5 | 306.14672 | -0.282 | 3-Hydroxy-4,6,6-trimethyl-1,4-Cyclohexadiene-1-carboxaldehyde 4-hydroxy-3-methylcrotonate acetate | KNApSAcK: C00010984 |
| C17H22O5 | 306.14672 | -0.282 | Acetoxyanthecotulide | KNApSAcK: C00041307 |
| C17H22O5 | 306.14672 | -0.282 | [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 | -0.282 | Lipiferolide | KEGG: C09497 KNApSAcK: C00003319, C00033757 |
| C17H22O5 | 306.14672 | -0.282 | 8alpha-Acetoxytaurin | KNApSAcK: C00013074 |
| C17H22O5 | 306.14672 | -0.282 | Xanthinin | KEGG: C09602, C09603 KNApSAcK: C00000313, C00003395 |
| C17H22O5 | 306.14672 | -0.282 | Achillicin | HMDB: HMDB0036487 KNApSAcK: C00020476 |
| C17H22O5 | 306.14672 | -0.282 | Calocephalin acetate | KNApSAcK: C00020895 |
| C17H22O5 | 306.14672 | -0.282 | Viscidulin A | KNApSAcK: C00020691 |
| C17H22O5 | 306.14672 | -0.282 | gamma-Liriodenolide | KNApSAcK: C00012978 |
| C17H22O5 | 306.14672 | -0.282 | [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 | -0.282 | Maxicanin G | KNApSAcK: C00020896 |
| C17H22O5 | 306.14672 | -0.282 | Inuchinenolide B | KNApSAcK: C00020882 |
| C17H22O5 | 306.14672 | -0.282 | Jurmolide | KNApSAcK: C00020539 |
| C17H22O5 | 306.14672 | -0.282 | Phomadecalin B | KNApSAcK: C00045371 |
| C17H22O5 | 306.14672 | -0.282 | Tenulin | KEGG: C09557 KNApSAcK: C00003372 |
| C17H22O5 | 306.14672 | -0.282 | Ovatifolin | KEGG: C09522 KNApSAcK: C00003343 |
| C17H22O5 | 306.14672 | -0.282 | [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 | -0.282 | Cumambrin A | HMDB: HMDB0303513 KNApSAcK: C00020478 |
| C17H22O5 | 306.14672 | -0.282 | (+)-Heliangolidin | KNApSAcK: C00011757 |
| C17H22O5 | 306.14672 | -0.282 | (+)-beta-Cyclopyrethrosin | KNApSAcK: C00012866 |
| C17H22O5 | 306.14672 | -0.282 | [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 | -0.282 | Eupaformonin | KEGG: C09431 KNApSAcK: C00003269, C00030486 |
| C17H22O5 | 306.14672 | -0.282 | Viscidulin B | KEGG: C09587 KNApSAcK: C00003392 |
| C17H22O5 | 306.14672 | -0.282 | Confertiflorin | KEGG: C09374 KNApSAcK: C00003235 |
| C17H22O5 | 306.14672 | -0.282 | 9alpha-Acetoxyparthenolide | KNApSAcK: C00012108 |
| C17H22O5 | 306.14672 | -0.282 | 3-Acetoxy-13-hydroxy-1(10),4,7(11)-germacratrien-12,6-olide | KNApSAcK: C00000132 |
| C17H22O5 | 306.14672 | -0.282 | Gaillardin | KEGG: C09455 KNApSAcK: C00003288, C00020887 |
| C17H22O5 | 306.14672 | -0.282 | Bryopterin B | KNApSAcK: C00044111 |
| C17H22O5 | 306.14672 | -0.282 | Ligulatin B | KEGG: C09494 KNApSAcK: C00003316 |
| C17H22O5 | 306.14672 | -0.282 | Michefuscalide | KNApSAcK: C00020472 |
| C17H22O5 | 306.14672 | -0.282 | Rhaphidecurperoxin | KNApSAcK: C00046355 |
| C17H22O5 | 306.14672 | -0.282 | 5-Oxolasiodiplodin | KNApSAcK: C00036603 |
| C17H22O5 | 306.14672 | -0.282 | Pulchellin E | KNApSAcK: C00012873 |
| C17H22O5 | 306.14672 | -0.282 | Naematolon | HMDB: HMDB0035781 KNApSAcK: C00012495 |
| C17H22O5 | 306.14672 | -0.282 | Pyrethrosin | KEGG: C09536 KNApSAcK: C00003357 |
| C17H22O5 | 306.14672 | -0.282 | Tulirinol | KNApSAcK: C00012329 |
| C17H22O5 | 306.14672 | -0.282 | (+)-Artegallin | KNApSAcK: C00013060 |
| C17H22O5 | 306.14672 | -0.282 | 13-Acetoxy-3-hydroxy-1(10),4,7(11)-germacratrien-12,6-olide | KNApSAcK: C00000133 |
| C17H22O5 | 306.14672 | -0.282 | Eremofortin A | KNApSAcK: C00016972 |
| C17H22O5 | 306.14672 | -0.282 | Montathanolide | KNApSAcK: C00012961 |
| C17H22O5 | 306.14672 | -0.282 | Chihuahuin | KNApSAcK: C00011783 |
| C17H22O5 | 306.14672 | -0.282 | [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 | -0.282 | 2alpha-Acetoxyeupatolide | KNApSAcK: C00022640 |
| C17H22O5 | 306.14672 | -0.282 | Soulangianolide B | KNApSAcK: C00012335 |
| C17H22O5 | 306.14672 | -0.282 | Perymeniolide | KNApSAcK: C00011826, C00011827 |
| C17H22O5 | 306.14672 | -0.282 | 15-Acetoxy-8alpha-hydroxycostunolide | KNApSAcK: C00011818 |
| C17H22O5 | 306.14672 | -0.282 | Ludalbin | KNApSAcK: C00012973, C00012975 |
| C17H22O5 | 306.14672 | -0.282 | Dihydrochrysanolide | KNApSAcK: C00054383 |
| C17H22O5 | 306.14672 | -0.282 | Heleniamarin | KNApSAcK: C00021185 |
| C17H22O5 | 306.14672 | -0.282 | 6alpha-Acetoxy-4alpha-hydroxy-9,11(13)-guaiadien-12,8alpha-olide | KNApSAcK: C00020930 |
| C17H22O5 | 306.14672 | -0.282 | Isoheleniamarin | KNApSAcK: C00021136 |
| C17H22O5 | 306.14672 | -0.282 | Arnicolide A | KEGG: C09299, C09487 KNApSAcK: C00003217, C00003309 |
| C17H22O5 | 306.14672 | -0.282 | Ergolide | KNApSAcK: C00021090 |
| C17H22O5 | 306.14672 | -0.282 | Inuchinenolide A | KNApSAcK: C00020343 |
| C17H22O5 | 306.14672 | -0.282 | Matricin | HMDB: HMDB0036643, HMDB0302864 KEGG: C09499 KNApSAcK: C00003321, C00020471 LipidMAPS: LMPR0103410003 |
| C17H22O5 | 306.14672 | -0.282 | Parvifoliol B | KNApSAcK: C00056046 |
| C17H22O5 | 306.14672 | -0.282 | Crassinervic acid | KNApSAcK: C00043411 |
| C17H22O5 | 306.14672 | -0.282 | Zaluzanin B | KNApSAcK: C00021279 |
| C17H22O5 | 306.14672 | -0.282 | 15-O-Acetylamphoricarpolide | KNApSAcK: C00035781 |
| C17H22O5 | 306.14672 | -0.282 | Pulchellin B | KNApSAcK: C00012872 |
| C17H22O5 | 306.14672 | -0.282 | Isoludalbin | KNApSAcK: C00012972 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 338.19537 |
| Splash: splash10-004i-0090000000-29bec4fdd28939419feb |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 229.14 | 4744 | 109 | 1000 |
| 211.04 | 1529 | 127 | 322 |
| 247.05 | 1249 | 91 | 263 |
| 183.12 | 465 | 155 | 98 |
| 277.98 | 441 | 60 | 93 |
| 320.15 | 339 | 18 | 71 |
| 201.10 | 283 | 137 | 59 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(1-Methylpyrrolidin-2-yl))-B(none) | Flavone | Isoficine |
| 0.000 | [Flavone]-A(2OH, 1(1-Methylpyrrolidin-2-yl))-B(none) | Flavone | Ficine |
| Level: 3, プリカーサーm/z: 229.14020 |
| Splash: splash10-03e9-0590000000-2f48e57d00574bbdc82b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 211.05 | 1753 | 18 | 1000 |
| 183.11 | 936 | 46 | 533 |
| 201.15 | 268 | 28 | 152 |
| 157.04 | 163 | 72 | 93 |
| 159.10 | 95 | 70 | 54 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 211.03796 |
| Splash: splash10-001l-0900000000-74a81630798608be0d5f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 181.10 | 590 | 30 | 1000 |
| 193.06 | 467 | 18 | 790 |
| 182.99 | 300 | 28 | 507 |
| 167.11 | 94 | 44 | 159 |
| 169.06 | 46 | 42 | 78 |
| 196.00 | 31 | 15 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Dihydrochalcone]-A(none)-B(none) | Dihydrochalcone | Dihydrochalcone |