ピーク情報
|
イチョウ 葉
pos
|
| Peak #3870 MN MID: SE205_S01_M90 |
| m/z: 363.18077, RT: 41.42, 強度: 11447, ログ強度: 0.51, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 8 |
| DB検索結果: (147 names) (+)-Jurinelloide;Jurinelloide;Macrocalin B;Xerophilusin N;(-)-Xerophilusin N;6beta,10beta-Dihydroxy-3alpha,4alpha,15,16-bisepoxy-8betaH-cleroda-13(16),14-diene-20,12-olide;Pestalotiopsone E;(+)-Pestal... |
| DBごとのヒット数: ALL 113 KG 10 KN 101 HM 2 |
| FlavonoidSearch最大スコア MS2: 0.095, 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 |
|---|---|---|---|---|
| C20H26O6 | 362.17294 | 1.543 | (+)-Jurinelloide | KNApSAcK: C00012268 |
| C20H26O6 | 362.17294 | 1.543 | Macrocalin B | KNApSAcK: C00037458 |
| C20H26O6 | 362.17294 | 1.543 | Xerophilusin N | KNApSAcK: C00040689 |
| C20H26O6 | 362.17294 | 1.543 | 6beta,10beta-Dihydroxy-3alpha,4alpha,15,16-bisepoxy-8betaH-cleroda-13(16),14-diene-20,12-olide | KNApSAcK: C00022541 |
| C20H26O6 | 362.17294 | 1.543 | Pestalotiopsone E | KNApSAcK: C00047537 |
| C20H26O6 | 362.17294 | 1.543 | Petiolaride | KNApSAcK: C00020791 |
| C20H26O6 | 362.17294 | 1.543 | Eeniolide | KNApSAcK: C00022575 |
| C20H26O6 | 362.17294 | 1.543 | Gibberellin A36 | HMDB: HMDB0304362 KEGG: C11862 KNApSAcK: C00000036 LipidMAPS: LMPR0104170019 |
| C20H26O6 | 362.17294 | 1.543 | Trichomatolide D | KNApSAcK: C00012986 |
| C20H26O6 | 362.17294 | 1.543 | Scabrolide C | KNApSAcK: C00046385 |
| C20H26O6 | 362.17294 | 1.543 | Parvifoline F | KNApSAcK: C00041727 |
| C20H26O6 | 362.17294 | 1.543 | [3aS-[3aalpha,4alpha,5beta(Z),6beta,7alpha,7aalpha]]-6-Ethenyloctahydro-3a,4-dihydroxy-6-methyl-3-methylene-7-(1-methylethenyl)-2-oxo-5-benzofuranyl ester 2-methyl-2-butenoic acid | KNApSAcK: C00012053 |
| C20H26O6 | 362.17294 | 1.543 | (E)-2-Methyl-[2-[5-methoxy-4-methyl-2-(2-methyl-1-oxopropoxy)phenyl]oxiranyl]methyl ester | KNApSAcK: C00010835 |
| C20H26O6 | 362.17294 | 1.543 | Shikodonin | KEGG: C09184 KNApSAcK: C00003481 |
| C20H26O6 | 362.17294 | 1.543 | (E)-2-Methyl-4-methoxy-5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester | KNApSAcK: C00010836 |
| C20H26O6 | 362.17294 | 1.543 | Gibberellin A98 | HMDB: HMDB0041510 KNApSAcK: C00000299 |
| C20H26O6 | 362.17294 | 1.543 | 3-Oxo-6b-angeloyloxy-8b-hydroxy-7(11)-eremophilen-12,8-olide | HMDB: HMDB0040759 |
| C20H26O6 | 362.17294 | 1.543 | Cordifolia 54 | KNApSAcK: C00011871 |
| C20H26O6 | 362.17294 | 1.543 | Annonalide | KNApSAcK: C00000261 |
| C20H26O6 | 362.17294 | 1.543 | (-)-Methyl 16-hydroxy-19-nor-2-oxo-cis-cleroda-3,13-dien-15,16-olide-20-oate | KNApSAcK: C00031448 |
| C20H26O6 | 362.17294 | 1.543 | [3aR-[3aR*,4R*(S*),6E,8S*,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 3-hydroxy-2-methylene-butanoic acid | KNApSAcK: C00011779 |
| C20H26O6 | 362.17294 | 1.543 | Xerophilusin D | KNApSAcK: C00040683 |
| C20H26O6 | 362.17294 | 1.543 | Gelomulide W | KNApSAcK: C00033871 |
| C20H26O6 | 362.17294 | 1.543 | Gibberellin A19 | HMDB: HMDB0036896 KEGG: C02034 KNApSAcK: C00000019 LipidMAPS: LMPR0104170039 |
| C20H26O6 | 362.17294 | 1.543 | Enmein | KEGG: C09090 KNApSAcK: C00003424 |
| C20H26O6 | 362.17294 | 1.543 | Balsamin | KNApSAcK: C00012343 |
| C20H26O6 | 362.17294 | 1.543 | [3aR-[3aalpha,4alpha(Z),5beta,6alpha,7alpha,7aalpha]]- 6-Ethenyloctahydro-3a,5-dihydroxy-6-methyl-3-methylene-7-(1-methylethenyl)-2-oxo-4-benzofuranyl ester 2-methyl-2-butenoic acid | KNApSAcK: C00012052 |
| C20H26O6 | 362.17294 | 1.543 | Humirianthol | KNApSAcK: C00037279 |
| C20H26O6 | 362.17294 | 1.543 | (+)-Montafrusin B | KNApSAcK: C00012257 |
| C20H26O6 | 362.17294 | 1.543 | Gibberellin A25 | HMDB: HMDB0303460 KNApSAcK: C00000025 |
| C20H26O6 | 362.17294 | 1.543 | Tagitinin C methylbutyrate | KNApSAcK: C00034299 |
| C20H26O6 | 362.17294 | 1.543 | 5-(3'-Hydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide | HMDB: HMDB0059991 |
| C20H26O6 | 362.17294 | 1.543 | Eremantholide B | KNApSAcK: C00012403 |
| C20H26O6 | 362.17294 | 1.543 | 13-Hydroxyballonigrinolide | KNApSAcK: C00022433 |
| C20H26O6 | 362.17294 | 1.543 | Hispitolide C | KNApSAcK: C00039374, C00039376 |
| C20H26O6 | 362.17294 | 1.543 | Deacetyleupaserrin | KEGG: C09395 KNApSAcK: C00003249 |
| C20H26O6 | 362.17294 | 1.543 | Propyl isome | KEGG: C19145 |
| C20H26O6 | 362.17294 | 1.543 | Trichomatolide B | KNApSAcK: C00013086 |
| C20H26O6 | 362.17294 | 1.543 | Gibberellin A27 | KNApSAcK: C00000027 |
| C20H26O6 | 362.17294 | 1.543 | Eupatoriopicrin | KEGG: C09442 KNApSAcK: C00003278 |
| C20H26O6 | 362.17294 | 1.543 | Xerophilusin II | KNApSAcK: C00040685 |
| C20H26O6 | 362.17294 | 1.543 | (+)-Tirotundifolin C | KNApSAcK: C00012976 |
| C20H26O6 | 362.17294 | 1.543 | Vicolide B | KNApSAcK: C00011841 |
| C20H26O6 | 362.17294 | 1.543 | Hispitolide D | KNApSAcK: C00039375 |
| C20H26O6 | 362.17294 | 1.543 | Acanthospermolide | KNApSAcK: C00011851 |
| C20H26O6 | 362.17294 | 1.543 | Sphaeropsidin D | KNApSAcK: C00035747 |
| C20H26O6 | 362.17294 | 1.543 | Macrocalyxin E | KNApSAcK: C00047298 |
| C20H26O6 | 362.17294 | 1.543 | Trichomatolide E | KNApSAcK: C00012987 |
| C20H26O6 | 362.17294 | 1.543 | Heliangin | HMDB: HMDB0036692 KEGG: C09474 KNApSAcK: C00000235, C00011867, C00011868.obs, C00042125 |
| C20H26O6 | 362.17294 | 1.543 | Gibberellin A65 | HMDB: HMDB0036899 KNApSAcK: C00000065 |
| C20H26O6 | 362.17294 | 1.543 | Sauriol A | KNApSAcK: C00034969 |
| C20H26O6 | 362.17294 | 1.543 | Gigantanolide B | KNApSAcK: C00012264 |
| C20H26O6 | 362.17294 | 1.543 | 3-O-Tigloylcarolenalone | KNApSAcK: C00020957, C00020958 |
| C20H26O6 | 362.17294 | 1.543 | Deltoidin B | KNApSAcK: C00011874 |
| C20H26O6 | 362.17294 | 1.543 | Mollisorin B | KNApSAcK: C00011782 |
| C20H26O6 | 362.17294 | 1.543 | Decipienin B | KNApSAcK: C00012959 |
| C20H26O6 | 362.17294 | 1.543 | Gibberellin A116 | HMDB: HMDB0032820, HMDB0303327 KNApSAcK: C00007254, C00007875 |
| C20H26O6 | 362.17294 | 1.543 | 9-(2R,3R,Epoxy-2-methylbutanoyl)-8alpha,9beta-dihydroxy-1(10)E,4E,11(13)-germacratrien-12,6beta-olide | KNApSAcK: C00011806 |
| C20H26O6 | 362.17294 | 1.543 | 6beta-Hydroxypyrrhopappolide | KNApSAcK: C00022545 |
| C20H26O6 | 362.17294 | 1.543 | Ursiniolide C | KNApSAcK: C00011785 |
| C20H26O6 | 362.17294 | 1.543 | Phyllostachysin A | KNApSAcK: C00039996 |
| C20H26O6 | 362.17294 | 1.543 | Murrayatin | KNApSAcK: C00051675 |
| C20H26O6 | 362.17294 | 1.543 | Zoapatanolide A | KNApSAcK: C00012258 |
| C20H26O6 | 362.17294 | 1.543 | Jamaicolide C | HMDB: HMDB0034475 KNApSAcK: C00012244, C00012245 |
| C20H26O6 | 362.17294 | 1.543 | 3,4,5,3',4',5'-Hexamethoxybibenzyl | KNApSAcK: C00015295 |
| C20H26O6 | 362.17294 | 1.543 | Calein F | KNApSAcK: C00011844 |
| C20H26O6 | 362.17294 | 1.543 | Laxiflorin K | KNApSAcK: C00051219 |
| C20H26O6 | 362.17294 | 1.543 | Gibberellin A38 | HMDB: HMDB0036902 KNApSAcK: C00000038 |
| C20H26O6 | 362.17294 | 1.543 | 8beta-Tigloyloxy-3beta,14-dihydroxy-6betaH,7alphaH-germacra-1(10)Z,4E-11(13)-trien-6,12-olide | KNApSAcK: C00023191 |
| C20H26O6 | 362.17294 | 1.543 | Annuolide H | KNApSAcK: C00054482 |
| C20H26O6 | 362.17294 | 1.543 | Gibberellin A101 | HMDB: HMDB0041408 KNApSAcK: C00000574 |
| C20H26O6 | 362.17294 | 1.543 | Eupakirunsin D | KNApSAcK: C00042506 |
| C20H26O6 | 362.17294 | 1.543 | Sculponin L | KNApSAcK: C00048114 |
| C20H26O6 | 362.17294 | 1.543 | (3aR,4R,6E,10Z,11aR)-6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid | KNApSAcK: C00011859 |
| C20H26O6 | 362.17294 | 1.543 | Epinodosin | HMDB: HMDB0255691 KNApSAcK: C00031769 |
| C20H26O6 | 362.17294 | 1.543 | Trichomatolide C | KNApSAcK: C00013087 |
| C20H26O6 | 362.17294 | 1.543 | Fastigilin A | KNApSAcK: C00021061 |
| C20H26O6 | 362.17294 | 1.543 | Fastigilin B | KEGG: C09451 KNApSAcK: C00003284 |
| C20H26O6 | 362.17294 | 1.543 | 12-epi-Montanin D | KNApSAcK: C00036147, C00046555 |
| C20H26O6 | 362.17294 | 1.543 | Teusalvin C | KNApSAcK: C00046566, C00046951 |
| C20H26O6 | 362.17294 | 1.543 | Germanin A | KNApSAcK: C00012213 |
| C20H26O6 | 362.17294 | 1.543 | Secoeeniolide | KNApSAcK: C00022574 |
| C20H26O6 | 362.17294 | 1.543 | Sculponeatin C | KNApSAcK: C00048104 |
| C20H26O6 | 362.17294 | 1.543 | Triptotin B | KNApSAcK: C00049761 |
| C20H26O6 | 362.17294 | 1.543 | Breviarolide | KNApSAcK: C00020482 |
| C20H26O6 | 362.17294 | 1.543 | Teuchamaedrin C | KNApSAcK: C00023535 |
| C20H26O6 | 362.17294 | 1.543 | Guidongnin C | KNApSAcK: C00044792 |
| C20H26O6 | 362.17294 | 1.543 | Eupachifolin A | KNApSAcK: C00011847 |
| C20H26O6 | 362.17294 | 1.543 | (3aR,4R,6E,10Z,11aR)-6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 3-methylbutanoic acid | KNApSAcK: C00011860 |
| C20H26O6 | 362.17294 | 1.543 | 2-Hydroxy-2-(2-hydroxy-4-methylphenyl)propane-1,3-diyl (2Z,2'Z)- bis(2-methylbut-2-enoate) | KNApSAcK: C00033552 |
| C20H26O6 | 362.17294 | 1.543 | Gigantanolide A | KNApSAcK: C00012263 |
| C20H26O6 | 362.17294 | 1.543 | Arnifolin | KNApSAcK: C00021174 |
| C20H26O6 | 362.17294 | 1.543 | Gaudichanolide A | KNApSAcK: C00030361 |
| C20H26O6 | 362.17294 | 1.543 | [3aS-(3aalpha,4alpha,5beta,6beta,7alpha,7aalph)]- 6-Ethenyloctahydro-3a,4-dihydroxy-6-methyl-3-methylene-7-(1-methylethenyl)-2-oxo-5-benzofuranyl ester 3-methyl-2-butenoic acid | KNApSAcK: C00012054 |
| C20H26O6 | 362.17294 | 1.543 | Deoxytifruticin | KNApSAcK: C00012260, C00042504 |
| C20H26O6 | 362.17294 | 1.543 | Teukotschyn | KNApSAcK: C00023536 |
| C20H26O6 | 362.17294 | 1.543 | Trichomoriolide | KNApSAcK: C00011846 |
| C20H26O6 | 362.17294 | 1.543 | Secoisolariciresinol | HMDB: HMDB0013692, HMDB0252297 KEGG: C18167, C20456 KNApSAcK: C00000604, C00000605 |
| C20H26O6 | 362.17294 | 1.543 | Ailantinol F | KNApSAcK: C00031579 |
| C20H26O6 | 362.17294 | 1.543 | Schinindiol | KNApSAcK: C00020023 |
| C20H26O6 | 362.17294 | 1.543 | Tirotundifolin D | KNApSAcK: C00012977 |
| C20H26O6 | 362.17294 | 1.543 | Hydrobahia III | KNApSAcK: C00020481 |
| C20H26O6 | 362.17294 | 1.543 | Guidongnin A | KNApSAcK: C00044790 |
| C20H26O6 | 362.17294 | 1.543 | Zoapatanolide B | KNApSAcK: C00012259 |
| C20H26O6 | 362.17294 | 1.543 | 1beta,10alpha-Epoxy-8beta,14-dihydroxy-4E,11(13)-germacradien-12,6-olide | KNApSAcK: C00000168 |
| C20H26O6 | 362.17294 | 1.543 | (-)-Tirotundifolin B | KNApSAcK: C00013234 |
| C20H26O6 | 362.17294 | 1.543 | 3alpha,4beta,10beta-Trihydroxy-15,16-epoxy-cis-clerodane-8(17),13(16),14-trien-20,12-olide | KNApSAcK: C00022560 |
| C20H26O6 | 362.17294 | 1.543 | Gibberellin A124 | HMDB: HMDB0037103 KNApSAcK: C00017048 |
| C20H26O6 | 362.17294 | 1.543 | Eupassopilin | KNApSAcK: C00012104 |
| C20H26O6 | 362.17294 | 1.543 | Trichomatolide A | KNApSAcK: C00013090 |
| C20H26O6 | 362.17294 | 1.543 | (+)-Tirotundifolin A | KNApSAcK: C00012984 |
| C20H26O6 | 362.17294 | 1.543 | Ponicidin | HMDB: HMDB0242347 KNApSAcK: C00031075 |
| C20H26O6 | 362.17294 | 1.543 | Montafrusin | KNApSAcK: C00012256 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 363.18024 |
| Splash: splash10-002b-0009000000-f223c718c65b67c491e6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 345.15 | 1022 | 18 | 1000 |
| 328.03 | 290 | 35 | 283 |
| 327.20 | 247 | 36 | 241 |
| 319.21 | 81 | 44 | 78 |
| 303.13 | 77 | 60 | 75 |
| 317.11 | 75 | 46 | 73 |
| 335.52 | 61 | 28 | 59 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.095 | [Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 3,5,7,3',5'-Pentahydroxy-6,4'-dimethoxyflavone |
| 0.095 | [Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 8,3'-dimethyl ether |
| 0.095 | [Flavonol]-A(2OH, 2OMe)-B(2OH) | Flavonol | 3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone |
| 0.059 | [Flavanone]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavanone | 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone |
| 0.000 | [Isoflavan]-A(1OH, 2OMe)-B(1OH, 2OMe) | Isoflavan | Machaerol B |
| 0.000 | [Flavanone]-A(2OH, 1(2-hydroxybenzyl))-B(none) | Flavanone | Isochamanetin |
| 0.000 | [Flavanone]-A(2OH, 1(2-hydroxybenzyl))-B(none) | Flavanone | Chamanetin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH) | Flavonol | 5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH) | Flavonol | 5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH) | Flavonol | 5,8,3',4',5'-Pentahydroxy-3,7-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OH, 1OMe)-B(2OH) | Flavonol | 5,7,8,3',4'-Pentahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavan 3-ol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl)) | Flavan 3-ol | 3,7,8,3',4'-Pentahydroxy-5-methoxyflavan 3-O-acetate |