ピーク情報
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（ふき類） ふきのとう 花序 生
pos
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| Peak #8738 MN MID: SE114_S062581_M90 |
| m/z: 397.22248, RT: 56.13, 強度: 97718, ログ強度: 1.51, アダクト: [M+CH3OH+H]+, 共有数（同様のピークを含むサンプル数）: 4 |
| DB検索結果: (96 names) Argophyllin C;Eriolangin;Terpentecin;Eremopetasitenin A1;Scopararane B;(+)-Scopararane B;Gibberellin A74;Junceellolide H;(-)-Junceellolide H;4-O-Tigloyl-11,13-dihydroautumnolide;Bannaringaolide A;(+)-... |
| DBごとのヒット数: ALL 74 KG 8 KN 58 HM 5 LM 3 |
| 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 |
|---|---|---|---|---|
| C20H28O6 | 364.18859 | 1.108 | Argophyllin C | KNApSAcK: C00011868 |
| C20H28O6 | 364.18859 | 1.108 | Eriolangin | KEGG: C09414 KNApSAcK: C00003262 |
| C20H28O6 | 364.18859 | 1.108 | Terpentecin | KEGG: C21093 KNApSAcK: C00017734 LipidMAPS: LMPR0104040002 |
| C20H28O6 | 364.18859 | 1.108 | Eremopetasitenin A1 | HMDB: HMDB0030899 KNApSAcK: C00049151 |
| C20H28O6 | 364.18859 | 1.108 | Scopararane B | KNApSAcK: C00041856 |
| C20H28O6 | 364.18859 | 1.108 | Gibberellin A74 | HMDB: HMDB0038746 KNApSAcK: C00000074 |
| C20H28O6 | 364.18859 | 1.108 | Junceellolide H | KNApSAcK: C00031933 |
| C20H28O6 | 364.18859 | 1.108 | 4-O-Tigloyl-11,13-dihydroautumnolide | KNApSAcK: C00020962 |
| C20H28O6 | 364.18859 | 1.108 | Bannaringaolide A | KNApSAcK: C00043305 |
| C20H28O6 | 364.18859 | 1.108 | (-)-Ursiniolide D | KNApSAcK: C00012196 |
| C20H28O6 | 364.18859 | 1.108 | 3b-Hydroxy-6b-(2,3-epoxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide | HMDB: HMDB0041279 |
| C20H28O6 | 364.18859 | 1.108 | (3R,5R,10S,16S)-3,11,12,16-tetrahydroxy-17(15-16)-abeo-abieta-8,11,13-trien-7-one | LipidMAPS: LMPR0104050024 |
| C20H28O6 | 364.18859 | 1.108 | Excisanin F | KNApSAcK: C00050357 |
| C20H28O6 | 364.18859 | 1.108 | Shinjulactone H | KNApSAcK: C00031373 |
| C20H28O6 | 364.18859 | 1.108 | Garcinielliptone HE | KNApSAcK: C00033857 |
| C20H28O6 | 364.18859 | 1.108 | Cinncassiol C2 | HMDB: HMDB0035168 KEGG: C17642 KNApSAcK: C00055041 |
| C20H28O6 | 364.18859 | 1.108 | [1S-[1alpha(E),3(E),5beta,6alpha]]-5-hydroxy-6-(1-methylethyl)-3-[[(2-methyl-1-oxo-2-butenyl)oxy]methyl]-4-oxo-2-cyclohexen-1-yl ester | KNApSAcK: C00010963 |
| C20H28O6 | 364.18859 | 1.108 | Gibberellin A123 | HMDB: HMDB0036944 KNApSAcK: C00017047 |
| C20H28O6 | 364.18859 | 1.108 | Rosthorin A | KNApSAcK: C00037750 |
| C20H28O6 | 364.18859 | 1.108 | Methylmelicopol | KNApSAcK: C00034603 |
| C20H28O6 | 364.18859 | 1.108 | Oridonin | HMDB: HMDB0242516 KNApSAcK: C00033270 |
| C20H28O6 | 364.18859 | 1.108 | Hymenoratin D | KNApSAcK: C00021141 |
| C20H28O6 | 364.18859 | 1.108 | (-)-Blumealactone A | HMDB: HMDB0036665 KNApSAcK: C00012084 |
| C20H28O6 | 364.18859 | 1.108 | Langduin B | KNApSAcK: C00039603 |
| C20H28O6 | 364.18859 | 1.108 | Gibberellin A100 | HMDB: HMDB0041348 KNApSAcK: C00000324 |
| C20H28O6 | 364.18859 | 1.108 | 11,13-Dihydroarnifolin | KNApSAcK: C00020964 |
| C20H28O6 | 364.18859 | 1.108 | 6beta-Hydroxyisochiliolide | KNApSAcK: C00022555 |
| C20H28O6 | 364.18859 | 1.108 | Decipienin G | KNApSAcK: C00013093 |
| C20H28O6 | 364.18859 | 1.108 | 3b,9b-Dihydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide | HMDB: HMDB0041226 |
| C20H28O6 | 364.18859 | 1.108 | Gibberellin A97 | HMDB: HMDB0041496 KNApSAcK: C00000298 |
| C20H28O6 | 364.18859 | 1.108 | [4S-[4alpha,4abeta,5beta,6beta(2R*,3S*),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-4,5-dihydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester 2,3-dimethyloxiranecarboxylic acid | KNApSAcK: C00012907 |
| C20H28O6 | 364.18859 | 1.108 | Garcinielliptone HA | KNApSAcK: C00033853 |
| C20H28O6 | 364.18859 | 1.108 | Pulchelloid C | KNApSAcK: C00021170 |
| C20H28O6 | 364.18859 | 1.108 | Ineupatorolide B | KNApSAcK: C00012342 |
| C20H28O6 | 364.18859 | 1.108 | Andrographic acid | KNApSAcK: C00029683 |
| C20H28O6 | 364.18859 | 1.108 | Ambrosanolide A | KNApSAcK: C00038435 |
| C20H28O6 | 364.18859 | 1.108 | Acrenol | KNApSAcK: C00036681 |
| C20H28O6 | 364.18859 | 1.108 | 3b,8a-Dihydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8-olide | HMDB: HMDB0040757, HMDB0040758 |
| C20H28O6 | 364.18859 | 1.108 | Resiniferonol | KEGG: C09178 KNApSAcK: C00003477 |
| C20H28O6 | 364.18859 | 1.108 | Gibberellin A37 open lactone | KEGG: C11859 LipidMAPS: LMPR0104170016 |
| C20H28O6 | 364.18859 | 1.108 | 5-(4'-Hydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide | HMDB: HMDB0059992 |
| C20H28O6 | 364.18859 | 1.108 | 15-O-Isovaleroyl-2alpha-hydroxyamphoricarpolide | KNApSAcK: C00035782 |
| C20H28O6 | 364.18859 | 1.108 | Decipienin D | KNApSAcK: C00013094, C00013096 |
| C20H28O6 | 364.18859 | 1.108 | Xeniolide I | KNApSAcK: C00048906 |
| C20H28O6 | 364.18859 | 1.108 | Gibberellin A18 | KNApSAcK: C00000018 |
| C20H28O6 | 364.18859 | 1.108 | Phorbol | HMDB: HMDB0246701 KEGG: C09155 KNApSAcK: C00003465 LipidMAPS: LMPR0104330001 |
| C20H28O6 | 364.18859 | 1.108 | Lasiodonin | KNApSAcK: C00031959, C00035598 |
| C20H28O6 | 364.18859 | 1.108 | Gelomulide I | KNApSAcK: C00042552 |
| C20H28O6 | 364.18859 | 1.108 | Pycnolide | KEGG: C09535 KNApSAcK: C00012419 |
| C20H28O6 | 364.18859 | 1.108 | 2,3,3a,4,5,8,9,11a-Octahydro-5,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methyl-butanoic acid | KNApSAcK: C00011808 |
| C20H28O6 | 364.18859 | 1.108 | Rabdoloxin A | KNApSAcK: C00034958 |
| C20H28O6 | 364.18859 | 1.108 | Neurolenin A | KNApSAcK: C00011845 LipidMAPS: LMPR0103090041 |
| C20H28O6 | 364.18859 | 1.108 | Tanapsin | KNApSAcK: C00012956 |
| C20H28O6 | 364.18859 | 1.108 | Dihydroenmein | KNApSAcK: C00018707 |
| C20H28O6 | 364.18859 | 1.108 | 3alpha,4beta,10beta-Trihydroxy-15,16-epoxy-cis-clerodane-13(16),14-dien-20,12-olide | KNApSAcK: C00022556 |
| C20H28O6 | 364.18859 | 1.108 | Diaporthein B | KNApSAcK: C00041497 |
| C20H28O6 | 364.18859 | 1.108 | 12-Oxo-20-carboxy-leukotriene B4 | HMDB: HMDB0012550 LipidMAPS: LMFA03020047 |
| C20H28O6 | 364.18859 | 1.108 | Gigantanolide C | KNApSAcK: C00012265 |
| C20H28O6 | 364.18859 | 1.108 | Linearilobin F | KNApSAcK: C00012276 |
| C20H28O6 | 364.18859 | 1.108 | Zinaflavin H | KNApSAcK: C00012057 |
| C20H28O6 | 364.18859 | 1.108 | Lasiocarpanin | KNApSAcK: C00040687, C00051209 |
| C20H28O6 | 364.18859 | 1.108 | 2,3,3a,4,5,8,9,11a-Octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid | KNApSAcK: C00012267 |
| C20H28O6 | 364.18859 | 1.108 | (-)-Blumealactone B | HMDB: HMDB0036666 KNApSAcK: C00012085 |
| C20H28O6 | 364.18859 | 1.108 | Parvifoline C | KNApSAcK: C00041724 |
| C20H28O6 | 364.18859 | 1.108 | Euperfolin | KNApSAcK: C00012082 |
| C20H28O6 | 364.18859 | 1.108 | Flexusin B | KNApSAcK: C00021173 |
| C20H28O6 | 364.18859 | 1.108 | Schkuhridin A | KNApSAcK: C00011980 |
| C20H28O6 | 364.18859 | 1.108 | Xerophilusin C | KNApSAcK: C00047128 |
| C20H28O6 | 364.18859 | 1.108 | Penninervin | KNApSAcK: C00046290 |
| C20H28O6 | 364.18859 | 1.108 | LipidMAPS: LMPR01040143 |
|
| C20H28O6 | 364.18859 | 1.108 | Isoscoparin D | KNApSAcK: C00047252 |
| C20H28O6 | 364.18859 | 1.108 | Gibberellin A44 diacid | KEGG: C06095 LipidMAPS: LMPR0104170008 |
| C20H28O6 | 364.18859 | 1.108 | Amethystonoic acid | KNApSAcK: C00042225 |
| C21H24O2N4 | 364.18993 | -2.564 | 7-Methyl-2-morpholino-9-(1-(phenylamino)ethyl)-4H-pyrido[1,2-a]pyrimidin-4-one | HMDB: HMDB0258955 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 397.22180 |
| Splash: splash10-014r-0090000000-11eaaf49cd8d467619d5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 217.19 | 3706 | 180 | 1000 |
| 235.15 | 2570 | 162 | 693 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Isoflavone | Pumilaisoflavone D |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Isoflavone | Elongatin |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Flavone | 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| 0.000 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Ponganone IV |
| 0.000 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Glyflavanone B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe) | 2'-Hydroxychalcone | Glabrachalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | Ponganone VI |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | Glychalcone B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-3,4,4'-trimethoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | 2'-Hydroxychalcone | Ovalichalcone A |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Pongagallone B |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 2Methyl) | Flavone | Muxiangrin III |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1OMe) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artoindonesianin S |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artonin L |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | Velloquercetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Flavonol | 8-C-Methylvelloquercetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavonol | 3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 2OMe) | Isoflavone | 5,4'-Dihydroxy-3',5'-dimethoxy-(5''-Isopropenyldihydrofurano)[2'',3'':7,6]isoflavone |
| 0.000 | [Pterocarpan]-A(2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neoraucarpan |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(1OH, 1OMe) | Rotenone | 3-O-Demethylamorphigenin |
| 0.000 | [Rotenone]-A(1OH, 1(C-Prenyl))-B(2OMe) | Rotenone | Rotenonic acid |
| 0.000 | [4-Benzoylchroman]-A(2OMe)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | 4-Benzoylchroman | Rotenol |
| Level: 3, プリカーサーm/z: 217.18539 |
| Splash: splash10-052b-0900000000-580f4016465dc165f8c9 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 199.08 | 271 | 18 | 1000 |
| 161.04 | 187 | 56 | 689 |
| 147.00 | 150 | 70 | 551 |
| 159.12 | 143 | 58 | 527 |
| 121.01 | 127 | 96 | 469 |
| 135.18 | 114 | 82 | 419 |
| 157.11 | 84 | 60 | 310 |
| 143.11 | 82 | 74 | 301 |
| 189.08 | 80 | 28 | 294 |
| 119.03 | 73 | 98 | 270 |
| 106.82 | 66 | 110 | 242 |
| 133.07 | 54 | 84 | 198 |
| 175.17 | 53 | 42 | 195 |
| 94.96 | 50 | 122 | 185 |
| 149.16 | 44 | 68 | 162 |
| 173.06 | 30 | 44 | 110 |
| 145.13 | 26 | 72 | 95 |
| 202.04 | 21 | 15 | 78 |
| 174.06 | 19 | 43 | 70 |
| 184.35 | 16 | 33 | 59 |
FlavonoidSearch結果
ヒットなし