ピーク情報
|
ポプラ, 幼植物, 地上部
pos
|
| Peak #8688 MN MID: SE205_S08_M90 |
| m/z: 347.18541, RT: 85.32, 強度: 8995, ログ強度: 0.36, 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: (117 names) Thymifodioic acid;Maoecrystal C;Heteroplexisolide C;(+)-Heteroplexisolide C;Heteroplexisolide B;(+)-Heteroplexisolide B;Macrocalyxoformin A;Sculponeatin A;(-)-Sculponeatin A;Gaudichanolide B;(-)-Gaudi... |
| DBごとのヒット数: ALL 89 KG 6 KN 77 HM 6 |
| FlavonoidSearch最大スコア MS2: 0.167, 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 |
|---|---|---|---|---|
| C20H26O5 | 346.17802 | 0.313 | Thymifodioic acid | KNApSAcK: C00022122 |
| C20H26O5 | 346.17802 | 0.313 | Maoecrystal C | KNApSAcK: C00051465 |
| C20H26O5 | 346.17802 | 0.313 | Heteroplexisolide C | KNApSAcK: C00047452 |
| C20H26O5 | 346.17802 | 0.313 | Heteroplexisolide B | KNApSAcK: C00047451 |
| C20H26O5 | 346.17802 | 0.313 | Gaudichanolide B | KNApSAcK: C00042176, C00042545 |
| C20H26O5 | 346.17802 | 0.313 | Macrocalyxoformin A | KNApSAcK: C00048102 |
| C20H26O5 | 346.17802 | 0.313 | Hanagokenol B | KNApSAcK: C00030454 |
| C20H26O5 | 346.17802 | 0.313 | Royleanonic acid | HMDB: HMDB0257320 |
| C20H26O5 | 346.17802 | 0.313 | Trixikingolide isovalerate | KNApSAcK: C00021744, C00021745 |
| C20H26O5 | 346.17802 | 0.313 | Isodocarpin | KNApSAcK: C00050907 |
| C20H26O5 | 346.17802 | 0.313 | 16-Hydroxycarnosol | KNApSAcK: C00031517 |
| C20H26O5 | 346.17802 | 0.313 | Methyl gibberellin A4 | HMDB: HMDB0254589 KEGG: C20633 |
| C20H26O5 | 346.17802 | 0.313 | Laxiflorin A | KNApSAcK: C00051214 |
| C20H26O5 | 346.17802 | 0.313 | 8alpha-Tigloxyartabsin | KNApSAcK: C00034401, C00034403 |
| C20H26O5 | 346.17802 | 0.313 | Angeloylcumambrin B | HMDB: HMDB0034605 KNApSAcK: C00020479 |
| C20H26O5 | 346.17802 | 0.313 | LL-S491beta | KNApSAcK: C00023996 |
| C20H26O5 | 346.17802 | 0.313 | Guidongnin B | KNApSAcK: C00044791 |
| C20H26O5 | 346.17802 | 0.313 | Chushizisin D | KNApSAcK: C00047411, C00047412 |
| C20H26O5 | 346.17802 | 0.313 | ,[1aR-[1aalpha,3alpha(Z),4beta,4abeta,5beta,9alphaS*]]-1a,2,4,4a,5,9-Hexahydro-5-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-butenoic acid | KNApSAcK: C00017377 |
| C20H26O5 | 346.17802 | 0.313 | Peregrinin | KNApSAcK: C00022266 |
| C20H26O5 | 346.17802 | 0.313 | Deacetylpseudolaric acid A | KNApSAcK: C00038950 |
| C20H26O5 | 346.17802 | 0.313 | Durumolide E | KNApSAcK: C00048698 |
| C20H26O5 | 346.17802 | 0.313 | Taiwaniaquinone B | KNApSAcK: C00032278, C00032279 |
| C20H26O5 | 346.17802 | 0.313 | Badkhysidin | KNApSAcK: C00013026 |
| C20H26O5 | 346.17802 | 0.313 | Laxiflorin L | KNApSAcK: C00051220 |
| C20H26O5 | 346.17802 | 0.313 | Isorosmanol | HMDB: HMDB0036661 KNApSAcK: C00037344 |
| C20H26O5 | 346.17802 | 0.313 | Microhelenin C | KEGG: C09509 KNApSAcK: C00003330, C00020963, C00021131 |
| C20H26O5 | 346.17802 | 0.313 | Xerophilusin B | KNApSAcK: C00040682 |
| C20H26O5 | 346.17802 | 0.313 | Epirosmanol | HMDB: HMDB0035812 KNApSAcK: C00030193 |
| C20H26O5 | 346.17802 | 0.313 | Gibberellin A64 | HMDB: HMDB0036894 KNApSAcK: C00000064 |
| C20H26O5 | 346.17802 | 0.313 | Verimol G | HMDB: HMDB0036474 |
| C20H26O5 | 346.17802 | 0.313 | [3R-(3alpha,3aalpha,4alpha,4abeta,7abeta,8alpha,9aalpha)]-2,3,3a,4,4a,7,7a,8,9,9a-Decahydro-3,5,8-trimethyl-2,7-dioxoazuleno[6,5-b]furan-4-yl ester 3-methyl-2-butenoic acid | KNApSAcK: C00020943 |
| C20H26O5 | 346.17802 | 0.313 | (2R,5R,8R,9S,10R)-2-oxo-cleroda-3,13-dien-16,15-olide-18-oic acid | LipidMAPS: LMPR0104040006 |
| C20H26O5 | 346.17802 | 0.313 | Xyloketal B | HMDB: HMDB0259942 |
| C20H26O5 | 346.17802 | 0.313 | Hydroxyperezone monoangelate | KNApSAcK: C00011662 |
| C20H26O5 | 346.17802 | 0.313 | Secochiliolide acid | KNApSAcK: C00022530 |
| C20H26O5 | 346.17802 | 0.313 | Eupaglehnin C | KNApSAcK: C00012191, C00032954 |
| C20H26O5 | 346.17802 | 0.313 | Miliusate | KNApSAcK: C00037505 |
| C20H26O5 | 346.17802 | 0.313 | Coleon U | KNApSAcK: C00034936 |
| C20H26O5 | 346.17802 | 0.313 | Gibberellin A37 | HMDB: HMDB0035047 KEGG: C14161 KNApSAcK: C00000037 |
| C20H26O5 | 346.17802 | 0.313 | 6-O-Senecioylplenolin | KNApSAcK: C00021126 |
| C20H26O5 | 346.17802 | 0.313 | Pestalotiopsone B | KNApSAcK: C00047534 |
| C20H26O5 | 346.17802 | 0.313 | 7'-O-Methylmarmin | HMDB: HMDB0040795 |
| C20H26O5 | 346.17802 | 0.313 | Debromohamigeran A | KNApSAcK: C00046714 |
| C20H26O5 | 346.17802 | 0.313 | 2alpha-Hydroxy-3alpha,4alpha,15,16-bisepoxy-8beta,10betaH-ent-cleroda-13(16),14-diene-20,12-olide | KNApSAcK: C00022540 |
| C20H26O5 | 346.17802 | 0.313 | Estafiatin 8-O-isovalerate | KNApSAcK: C00033836 |
| C20H26O5 | 346.17802 | 0.313 | Leonotinin | KNApSAcK: C00022217 |
| C20H26O5 | 346.17802 | 0.313 | 3alpha-Hydroxy-5beta,10beta-epoxychiliolide | KNApSAcK: C00022534 |
| C20H26O5 | 346.17802 | 0.313 | 17-Hydroxyjolkinolide B | KNApSAcK: C00038174 |
| C20H26O5 | 346.17802 | 0.313 | beta-Cyclotanacin | KNApSAcK: C00012867 |
| C20H26O5 | 346.17802 | 0.313 | beta-Perezol | KNApSAcK: C00021727, C00021728 |
| C20H26O5 | 346.17802 | 0.313 | Trichorabdal A | KNApSAcK: C00035769 |
| C20H26O5 | 346.17802 | 0.313 | Gibberellin A44 | HMDB: HMDB0036901 KEGG: C12308 KNApSAcK: C00000044 LipidMAPS: LMPR0104170030 |
| C20H26O5 | 346.17802 | 0.313 | 19-Noraldosterone | HMDB: HMDB0041795 |
| C20H26O5 | 346.17802 | 0.313 | Deltoidin A | KNApSAcK: C00012103 |
| C20H26O5 | 346.17802 | 0.313 | Pulchellin F | KNApSAcK: C00012874 |
| C20H26O5 | 346.17802 | 0.313 | Cyathin B5 | KNApSAcK: C00012360 |
| C20H26O5 | 346.17802 | 0.313 | Gelomulide J | KNApSAcK: C00042553 |
| C20H26O5 | 346.17802 | 0.313 | Cyathin C5 | KNApSAcK: C00023682 |
| C20H26O5 | 346.17802 | 0.313 | Bacrispine | KNApSAcK: C00050008 |
| C20H26O5 | 346.17802 | 0.313 | Myristargenol B | KNApSAcK: C00032046 |
| C20H26O5 | 346.17802 | 0.313 | 8alpha-Tigloyloxydouglanin | KNApSAcK: C00033593, C00033596 |
| C20H26O5 | 346.17802 | 0.313 | KNApSAcK: C00050691, C00050692 |
|
| C20H26O5 | 346.17802 | 0.313 | Gibberellin A113 | HMDB: HMDB0032819 KNApSAcK: C00001499, C00001505 |
| C20H26O5 | 346.17802 | 0.313 | 6beta-Hydroxy-incana-pteroniolide | KNApSAcK: C00022543 |
| C20H26O5 | 346.17802 | 0.313 | Hypoglicin D | KNApSAcK: C00055919 |
| C20H26O5 | 346.17802 | 0.313 | Arturin | KNApSAcK: C00012979, C00012983 |
| C20H26O5 | 346.17802 | 0.313 | Dracocephalone A | KNApSAcK: C00044727 |
| C20H26O5 | 346.17802 | 0.313 | Laxiflorin C | KNApSAcK: C00051216 |
| C20H26O5 | 346.17802 | 0.313 | Heteroplexisolide D | KNApSAcK: C00047453 |
| C20H26O5 | 346.17802 | 0.313 | [4S-[4alpha(E),4aalpha,5alpha,8beta,8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid | KNApSAcK: C00017309 |
| C20H26O5 | 346.17802 | 0.313 | Mollisorin A | KNApSAcK: C00011780 |
| C20H26O5 | 346.17802 | 0.313 | Marrubinone B | KNApSAcK: C00033162 |
| C20H26O5 | 346.17802 | 0.313 | Caesalmin G | KNApSAcK: C00042324 |
| C20H26O5 | 346.17802 | 0.313 | [4aS-[4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-6-[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid | KNApSAcK: C00017407 |
| C20H26O5 | 346.17802 | 0.313 | Royleanonic acid | KNApSAcK: C00035386 |
| C20H26O5 | 346.17802 | 0.313 | Gibberellin A24 | HMDB: HMDB0303459 KEGG: C11861 KNApSAcK: C00000024 LipidMAPS: LMPR0104170018 |
| C20H26O5 | 346.17802 | 0.313 | Inflexusin B | KNApSAcK: C00050836 |
| C20H26O5 | 346.17802 | 0.313 | Pyrrhopappolide | KNApSAcK: C00022544 |
| C20H26O5 | 346.17802 | 0.313 | Maoyecrystal J | KNApSAcK: C00041661 |
| C20H26O5 | 346.17802 | 0.313 | Nobilin | HMDB: HMDB0036690 KEGG: C09518 KNApSAcK: C00003339, C00011798 |
| C20H26O5 | 346.17802 | 0.313 | Cornutin E | KNApSAcK: C00036099 |
| C20H26O5 | 346.17802 | 0.313 | Longirabdacetal | KNApSAcK: C00051310 |
| C20H26O5 | 346.17802 | 0.313 | [4S-[4alpha(E),4aalpha,5beta,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid | KNApSAcK: C00017311, C00017312 |
| C20H26O5 | 346.17802 | 0.313 | Ballotinone | KNApSAcK: C00022391 |
| C20H26O5 | 346.17802 | 0.313 | [1aR-[1aalpha,4beta,4abeta,5beta(Z),9aS*]]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 4-hydroxy-2-methyl-2-butenoic acid | KNApSAcK: C00017322 |
| C20H26O5 | 346.17802 | 0.313 | 1a,2,4,4a,5,9-Hexahydro-4-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-butenoic acid | KNApSAcK: C00017388 |
| C20H26O5 | 346.17802 | 0.313 | 3-Oxo-6b-angeloyloxy-7(11)-eremophilen-12,8a-olide | HMDB: HMDB0032896 |
| C20H26O5 | 346.17802 | 0.313 | Maoyecrystal I | KNApSAcK: C00051480 |
| C20H26O5 | 346.17802 | 0.313 | Preperegrinin | KNApSAcK: C00023348, C00048251 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 347.18494 |
| Splash: splash10-001j-0920000000-307543adf9b9a3cc858d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 183.00 | 3778 | 164 | 1000 |
| 245.04 | 1408 | 102 | 372 |
| 146.95 | 1284 | 200 | 339 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.167 | [Flavanone]-A(1OH, 3OMe)-B(1OH) | Flavanone | 5,4'-Dihydroxy-6,7,8-trimethoxyflavanone |
| 0.125 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Pterocarpan | 2,8-Dihydroxy-3,9,10-trimethoxypterocarpan |
| 0.091 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(2OH) | 2'-Hydroxychalcone | Hamilcone |
| 0.077 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavanone | 5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone |
| 0.077 | [Flavanone]-A(2OH, 2OMe)-B(1OMe) | Flavanone | 5,6-Dihydroxy-7,8,4'-trimethoxyflavanone |
| 0.077 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone |
| 0.077 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-6,7,4'-trimethoxyflavanone |
| 0.077 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | Agestricin D |
| 0.077 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone |
| 0.077 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone |
| 0.056 | [Flavonol]-A(1OH, 2OMe)-B(2OH) | Flavonol | Eupatolitin |
| 0.056 | [Flavonol]-A(1OH, 2OMe)-B(2OH) | Flavonol | Zanthoxyl flavone |
| 0.056 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Spinacetin |
| 0.056 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Laciniatin |
| 0.056 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetagetin 7,3'-dimethyl ether |
| 0.056 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 3',8-dimethyl ether |
| 0.056 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 7,4'-dimethyl ether |
| 0.056 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Limocitrin |
| 0.056 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 8,4'-dimethyl ether |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(3OH) | Flavone | 5,3',4',5'-Tetrahydroxy-6,7-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-6,5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | Ganhuangenin |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',3'-Tetrahydroxy-8,6'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',5'-Tetrahydroxy-8,4'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-8,5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,6,2',6'-Tetrahydroxy-7,8-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | Leucanthogenin |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,6,3',4'-Tetrahydroxy-7,8-dimethoxyflavone |
| 0.000 | [Dihydrochalcone]-A(1OH, 4OMe)-B(none) | Dihydrochalcone | Dihydrokanakugiol |
| 0.000 | [Flavonol]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Inucrithmin |
| 0.000 | [Flavonol]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Myricetin 7,4'-dimethyl ether |
| 0.000 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Myricetin 3',4'-dimethyl ether |
| 0.000 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Syringetin |
| 0.000 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Viscidulin III |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Dihydrochalcone | 2',6'-Dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(2OH)-C(1(O-Acetyl)) | Dihydroflavonol | Taxifolin 3-O-acetate |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | Myricetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | Artemexitin |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(2OH, 1OMe) | Flavonol | Dumosol |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(3OH) | Flavonol | Alluaudiol |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | 5,7,4',5'-Tetrahydroxy-3,2'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | 5,7,2',5'-Tetrahydroxy-3,4'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Axillarin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Tomentin |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | 7,8,3',4'-Trihydroxy-3,5-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Gossypetin 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Gossypetin 3,8-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH, 1OMe)-B(1OH) | Flavonol | 5,7,8,4'-Tetrahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe, 2Methyl)-B(1OMe) | Flavan 3,4-diol | 3,4,7-Trihydroxy-5,4'-dimethoxy-6,8-dimethylflavan |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 1OMe)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Amorphaquinone |
| Level: 3, プリカーサーm/z: 183.00415 |
| Splash: splash10-001i-9000000000-47abf0d629871a12d32e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 80.95 | 915 | 102 | 1000 |
| 84.79 | 230 | 98 | 251 |
| 56.89 | 160 | 126 | 175 |
| 102.95 | 102 | 80 | 111 |
FlavonoidSearch結果
ヒットなし