ピーク情報
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（くり類） 日本ぐり 生
pos
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| Peak #3805 MN MID: SE123_S050101_M90 |
| m/z: 349.16450, RT: 49.46, 強度: 2413, ログ強度: -0.04, 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: (68 names) Armexin;[3aS-(3aalpha,5abeta,6alpha,8alpha,9balpha)]-6,8-bis(acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one;Trichothecinol A;(+)-Trichothecinol A;Euryco... |
| DBごとのヒット数: ALL 59 KG 11 KN 46 HM 1 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.286, 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 |
|---|---|---|---|---|
| C19H24O6 | 348.15729 | -0.197 | Armexin | KNApSAcK: C00012962 |
| C19H24O6 | 348.15729 | -0.197 | Trichothecinol A | KNApSAcK: C00046956 |
| C19H24O6 | 348.15729 | -0.197 | Eurycomalactone | KEGG: C08759 KNApSAcK: C00003709 |
| C19H24O6 | 348.15729 | -0.197 | Acantholide | KNApSAcK: C00011852 |
| C19H24O6 | 348.15729 | -0.197 | Zexbrevin D | KNApSAcK: C00011814 |
| C19H24O6 | 348.15729 | -0.197 | Gibberellin A58 | HMDB: HMDB0035043 KNApSAcK: C00000058, C00000071 |
| C19H24O6 | 348.15729 | -0.197 | Sellowin C | KNApSAcK: C00000286 |
| C19H24O6 | 348.15729 | -0.197 | Viscolin | KNApSAcK: C00032492 |
| C19H24O6 | 348.15729 | -0.197 | Gibberellin A16 | HMDB: HMDB0035048 KNApSAcK: C00000016, C00000054 |
| C19H24O6 | 348.15729 | -0.197 | Plagiochiline T | KNApSAcK: C00040035 |
| C19H24O6 | 348.15729 | -0.197 | Gibberellin A67 | HMDB: HMDB0035049 KNApSAcK: C00000067 |
| C19H24O6 | 348.15729 | -0.197 | Pectorolide | KNApSAcK: C00012266 |
| C19H24O6 | 348.15729 | -0.197 | Gibberellin A29 | HMDB: HMDB0038080, HMDB0303458 KEGG: C06096 KNApSAcK: C00000029, C00000081 LipidMAPS: LMPR0104170036 |
| C19H24O6 | 348.15729 | -0.197 | Erioflorin | KNApSAcK: C00011865 |
| C19H24O6 | 348.15729 | -0.197 | Gibberellin A60 | HMDB: HMDB0034988 KNApSAcK: C00000060, C00006244 |
| C19H24O6 | 348.15729 | -0.197 | Pestalotiopsone D | KNApSAcK: C00047536 |
| C19H24O6 | 348.15729 | -0.197 | [1aR-(1aalpha,4alpha,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-hexahydro-4-hydroxy-4,4a,6-trimethyl-9-oxo-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-propanoic acid | KNApSAcK: C00017316 |
| C19H24O6 | 348.15729 | -0.197 | Anisocoumarin D | KNApSAcK: C00019784 |
| C19H24O6 | 348.15729 | -0.197 | Tagitinin C | KNApSAcK: C00011856 |
| C19H24O6 | 348.15729 | -0.197 | (-)-7-(6,7-Dihydroxy-3,7-dimethyl-5-oxooctanoxy)-coumarin | KNApSAcK: C00019840 |
| C19H24O6 | 348.15729 | -0.197 | trans-(+)-1-(9,10-dihydro-9,10-dihydroxy-5-methoxy-2,2,8,8-tetramethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-6-yl)ethanone | KNApSAcK: C00046955 |
| C19H24O6 | 348.15729 | -0.197 | Clavigerin A | KNApSAcK: C00038801 |
| C19H24O6 | 348.15729 | -0.197 | Xanthanthusin E | KNApSAcK: C00045449 |
| C19H24O6 | 348.15729 | -0.197 | Radiatin | KEGG: C09539 KNApSAcK: C00003360 |
| C19H24O6 | 348.15729 | -0.197 | erythro-2,3-Bis(4-hydroxy-3-methoxyphenyl)-3-ethoxypropan-1-ol | KNApSAcK: C00035306, C00035413 |
| C19H24O6 | 348.15729 | -0.197 | Triphasiol | HMDB: HMDB0039062 |
| C19H24O6 | 348.15729 | -0.197 | 9-Hydroxyglabratolide | KNApSAcK: C00011850 |
| C19H24O6 | 348.15729 | -0.197 | Nagilactone A | KNApSAcK: C00000268 |
| C19H24O6 | 348.15729 | -0.197 | Gochnatolide | KNApSAcK: C00012339 |
| C19H24O6 | 348.15729 | -0.197 | Gibberellin A90 | HMDB: HMDB0039622 KNApSAcK: C00000090 |
| C19H24O6 | 348.15729 | -0.197 | 1,2-Bis(3,4-dimethoxyphenyl)propane-1,3-diol | KEGG: C04597 |
| C19H24O6 | 348.15729 | -0.197 | Chamissonin diacetate | KEGG: C09356 KNApSAcK: C00003229 |
| C19H24O6 | 348.15729 | -0.197 | Artemisiaglaucolide | KNApSAcK: C00011805 |
| C19H24O6 | 348.15729 | -0.197 | 11,13-Dehydromelitensin diacetate | KNApSAcK: C00011976 |
| C19H24O6 | 348.15729 | -0.197 | Gibberellin A34 | HMDB: HMDB0303448 KEGG: C11868 KNApSAcK: C00000034, C00000047 LipidMAPS: LMPR0104170025 |
| C19H24O6 | 348.15729 | -0.197 | 8-Angeloylegelolide | HMDB: HMDB0037773 KNApSAcK: C00055056 |
| C19H24O6 | 348.15729 | -0.197 | Subcordatolide A | KNApSAcK: C00020858 |
| C19H24O6 | 348.15729 | -0.197 | LipidMAPS: LMPR0103090015 |
|
| C19H24O6 | 348.15729 | -0.197 | Eurycomalide B | KNApSAcK: C00047869 |
| C19H24O6 | 348.15729 | -0.197 | Murrayacoumarin A | KNApSAcK: C00035181 |
| C19H24O6 | 348.15729 | -0.197 | Hierapolitanin A | KNApSAcK: C00034536 |
| C19H24O6 | 348.15729 | -0.197 | Gibberellin A63 | HMDB: HMDB0035044 KNApSAcK: C00000063 |
| C19H24O6 | 348.15729 | -0.197 | Ovalifolienal | KNApSAcK: C00021257 |
| C19H24O6 | 348.15729 | -0.197 | 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate | KEGG: C04844 LipidMAPS: LMST02020063, LMST02020118 |
| C19H24O6 | 348.15729 | -0.197 | Onopordopicrin | KEGG: C09520 KNApSAcK: C00003341 |
| C19H24O6 | 348.15729 | -0.197 | Eremantholide A | KEGG: C09407 KNApSAcK: C00003257 |
| C19H24O6 | 348.15729 | -0.197 | Idomain | KNApSAcK: C00011823 |
| C19H24O6 | 348.15729 | -0.197 | Tagitinin F | KEGG: C09554 KNApSAcK: C00003370 |
| C19H24O6 | 348.15729 | -0.197 | Gibberellin A77 | HMDB: HMDB0037004 KNApSAcK: C00000077 |
| C19H24O6 | 348.15729 | -0.197 | 3beta-Acetoxyhaageanolide acetate | KNApSAcK: C00011803 |
| C19H24O6 | 348.15729 | -0.197 | Gibberellin A1 | HMDB: HMDB0040944 KEGG: C00859 KNApSAcK: C00000001 LipidMAPS: LMPR0104170001 |
| C19H24O6 | 348.15729 | -0.197 | Dissectolide A | KNApSAcK: C00043460 |
| C19H24O6 | 348.15729 | -0.197 | Scabrolide D | KNApSAcK: C00046386 |
| C19H24O6 | 348.15729 | -0.197 | Ferupennin A | KNApSAcK: C00045932 |
| C19H24O6 | 348.15729 | -0.197 | Praealtin D | KNApSAcK: C00020006 |
| C19H24O6 | 348.15729 | -0.197 | Nagilactone E | KNApSAcK: C00000272 |
| C19H24O6 | 348.15729 | -0.197 | (+)-Caleine E | KNApSAcK: C00011843 |
| C19H24O6 | 348.15729 | -0.197 | Gibberellin A35 | HMDB: HMDB0303449 KNApSAcK: C00000035 |
| C19H24O6 | 348.15729 | -0.197 | Tomenphantin A | KNApSAcK: C00049404 LipidMAPS: LMPR0103090014 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 349.16449 |
| Splash: splash10-001i-0019000000-119eb53126cb4465235c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 331.08 | 857 | 18 | 1000 |
| 303.15 | 190 | 46 | 221 |
| 313.13 | 111 | 36 | 129 |
| 285.07 | 107 | 64 | 124 |
| 275.30 | 46 | 74 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.286 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone |
| 0.286 | [Dihydroflavonol]-A(1OH, 2OMe)-B(2OH) | Dihydroflavonol | Dihydrogossypetin 7,8-dimethyl ether |
| 0.200 | [Dihydroflavonol]-A(2OH)-B(1OH, 2OMe) | Dihydroflavonol | Dihydrosyringetin |
| 0.118 | [Flavonol]-A(3OH)-B(2OH, 1OMe) | Flavonol | 3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone |
| 0.118 | [Flavonol]-A(2OH, 1OMe)-B(3OH) | Flavonol | Hibiscetin 8-methyl ether |
| 0.118 | [Flavonol]-A(4OH)-B(1OH, 1OMe) | Flavonol | 3,5,6,7,8,4'-Hexahydroxy-3'-methoxyflavone |
| 0.111 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavan 3-ol | Gallocatechin 7,3',5'-trimethyl ether |
| 0.000 | [Coumestan]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Coumestan | Tuberostan |
| 0.000 | [Isoflavan]-A(2OH, 1OMe)-B(1OH, 2OMe) | Isoflavan | Machaerol C |
| 0.000 | [Flavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | 6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone |
| 0.000 | [Flavone]-A(2OMe, 1(3-Methylbutadienyl))-B(none) | Flavone | trans-Anhydrotephrostachin |
| 0.000 | [Dihydroflavonol]-A(2OH, 2Methyl)-B(3OH) | Dihydroflavonol | 3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone |
| 0.000 | [4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(2OH) | 4-substituted Flavan 3-ol | Dryopteric acid |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Calopogoniumisoflavone B |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH, 1(C-Prenyl)) | Pterocarpan | Erybraedin E |