ピーク情報
らっかせい 乾 大粒種
pos
|
Peak #2285 MN MID: SE169_S050341_M90 |
m/z: 367.21139, RT: 42.56, 強度: 31822, ログ強度: 1.12, アダクト: [M+H]+, 共有数(同様のピークを含むサンプル数): 9 |
DB検索結果: (53 names) Sporotrichiol;Hymenoratin B;Cornutin C;(-)-Cornutin C;Pachyclavulariolide R;(-)-Pachyclavulariolide R;Zambesiacolactone B;(+)-Zambesiacolactone B;Bis(2-butoxyethyl)phthalate;beta-Butoxyethyl phthalate... |
DBごとのヒット数: ALL 40 KG 3 KN 27 HM 3 LM 7 |
FlavonoidSearch最大スコア MS2: 0.071, MS3: 0.143 |
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 |
---|---|---|---|---|
C20H30O6 | 366.20424 | -0.344 | Sporotrichiol | HMDB: HMDB0037062 KNApSAcK: C00012650 |
C20H30O6 | 366.20424 | -0.344 | Hymenoratin B | KNApSAcK: C00021030 |
C20H30O6 | 366.20424 | -0.344 | Cornutin C | KNApSAcK: C00036097 |
C20H30O6 | 366.20424 | -0.344 | Pachyclavulariolide R | KNApSAcK: C00044994 |
C20H30O6 | 366.20424 | -0.344 | Zambesiacolactone B | KNApSAcK: C00034921 |
C20H30O6 | 366.20424 | -0.344 | Bis(2-butoxyethyl)phthalate | KEGG: C15438 |
C20H30O6 | 366.20424 | -0.344 | Ingol | KNApSAcK: C00050840 LipidMAPS: LMPR0104310002 |
C20H30O6 | 366.20424 | -0.344 | 12-oxo-10,11-dihydro-20-COOH-LTB4 | HMDB: HMDB0012549 LipidMAPS: LMFA03020046 |
C20H30O6 | 366.20424 | -0.344 | Spirocardin A | KNApSAcK: C00017551 |
C20H30O6 | 366.20424 | -0.344 | Coetsanoic acid | KNApSAcK: C00042404 |
C20H30O6 | 366.20424 | -0.344 | 5S,12R,18S,20-tetrahydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid | LipidMAPS: LMFA03140008 |
C20H30O6 | 366.20424 | -0.344 | Leopersin H | KNApSAcK: C00050375 |
C20H30O6 | 366.20424 | -0.344 | Maoecrystal K | KNApSAcK: C00051470 |
C20H30O6 | 366.20424 | -0.344 | Sculponin K | KNApSAcK: C00048113 |
C20H30O6 | 366.20424 | -0.344 | 9,10-seco-9-carboxy-11,11,15S-trihydroxy-5Z,8(12),13E-prostatrienoic acid 9,11-lactone | LipidMAPS: LMFA03100037 |
C20H30O6 | 366.20424 | -0.344 | 9S,15S-dihydroxy-11-oxo-thromboxa-5Z,13E,17Z-trienoic acid | LipidMAPS: LMFA03030009 |
C20H30O6 | 366.20424 | -0.344 | Sinularolide A | KNApSAcK: C00043001 |
C20H30O6 | 366.20424 | -0.344 | Leucasdin B | KNApSAcK: C00030653 |
C20H30O6 | 366.20424 | -0.344 | Gibberellin A42 | KNApSAcK: C00000042 |
C20H30O6 | 366.20424 | -0.344 | 12-oxo-20-dihydroxy-leukotriene B4 | HMDB: HMDB0012551 LipidMAPS: LMFA03020048 |
C20H30O6 | 366.20424 | -0.344 | Taxicin I | KNApSAcK: C00056162 |
C20H30O6 | 366.20424 | -0.344 | Enmenol | KNApSAcK: C00031761 |
C20H30O6 | 366.20424 | -0.344 | Rhodomollein XX | KNApSAcK: C00042918 |
C20H30O6 | 366.20424 | -0.344 | Phlebiakauranol aldehyde | KNApSAcK: C00017856 |
C20H30O6 | 366.20424 | -0.344 | Pachyclavulariaenone G | KNApSAcK: C00046266 |
C20H30O6 | 366.20424 | -0.344 | Anhydrocinnzeylanine | HMDB: HMDB0036863 KNApSAcK: C00036727 |
C20H30O6 | 366.20424 | -0.344 | Nervosanin B | KNApSAcK: C00048018 |
C20H30O6 | 366.20424 | -0.344 | Zinangustolide | KNApSAcK: C00012399 |
C20H30O6 | 366.20424 | -0.344 | 5S,12R,18S,19-tetrahydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid | LipidMAPS: LMFA03140005 |
C20H30O6 | 366.20424 | -0.344 | Ineupatorolide A | KNApSAcK: C00012341 |
C20H30O6 | 366.20424 | -0.344 | Sinulariolone | KNApSAcK: C00040317 |
C20H30O6 | 366.20424 | -0.344 | 7-Oxoprostaglandin I2 | HMDB: HMDB0247284 |
C20H30O6 | 366.20424 | -0.344 | Diaporthein A | KNApSAcK: C00041496 |
C20H30O6 | 366.20424 | -0.344 | Gibberellin A83 | KNApSAcK: C00000083 |
C20H30O6 | 366.20424 | -0.344 | LipidMAPS: LMPR01040141 |
|
C20H30O6 | 366.20424 | -0.344 | Chaparrolide | KEGG: C08758 KNApSAcK: C00003708 |
C20H30O6 | 366.20424 | -0.344 | Sibiricinone A | KNApSAcK: C00043917 |
C20H30O6 | 366.20424 | -0.344 | 20-COOH-Leukotriene B4 | HMDB: HMDB0006059, HMDB0245560 KEGG: C05950 LipidMAPS: LMFA03020016 |
C21H26O2N4 | 366.20558 | -3.996 | N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide | HMDB: HMDB0259641 |
C21H26O2N4 | 366.20558 | -3.996 | Linaprazan | HMDB: HMDB0254096 |
MSnスペクトル情報
Level: 2, プリカーサーm/z: 367.21078 |
Splash: splash10-0002-0019000000-7781bf3120f9481cb243 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
349.28 | 68035 | 18 | 1000 |
313.23 | 19832 | 54 | 291 |
331.20 | 19178 | 36 | 281 |
285.24 | 10124 | 82 | 148 |
267.19 | 8245 | 100 | 121 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.071 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 2'-Hydroxychalcone | Glychalcone A |
0.071 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 2'-Hydroxychalcone | 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone |
0.071 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | 3,4-Dimethoxylonchocarpin |
0.067 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Ponganone III |
0.067 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | Glyflavanone A |
0.045 | [Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Barpisoflavone C |
0.045 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Isoflavone | 3'-Hydroxyalpinumisoflavone 4'-methyl ether |
0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavonol | 6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether |
0.000 | [Coumestan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Coumestan | Mirificoumestan |
0.000 | [Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl)) | Coumestan | Puerarostan |
0.000 | [Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl)) | Coumestan | 3,9-Dihydroxy-1-methoxy-8-prenylcoumestan |
0.000 | [Coumestan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Coumestan | Glycyrol |
0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Flavone | Racemoflavone |
0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Flavone | 5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Pterocarpan | Edulenane |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1(3-methyl-6-oxo-2-hexenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol C |
0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | Praecansone B |
0.000 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Flavanone | O-Methylovaliflavanone C |
0.000 | [Flavone]-A(2OMe, 1(cis-3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavone | cis-Tephrostachin |
0.000 | [Flavone]-A(2OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavone | trans-Tephrostachin |
0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(2OH) | Flavone | Desmodol |
0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | 3'-Methoxypongapin |
0.000 | [Flavonol]-A(2OH, 1Sulfate)-B(1OH) | Flavonol | Kaempferol 8-C-sulfate |
0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Flavonol | Vellokaempferol 3-methyl ether |
0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Isoflavone | Derrubone |
0.000 | [Pterocarpan]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautenanol |
0.000 | [Coumestan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Coumestan | Isoglycyrol |
0.000 | [Rotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Rotenone | Pachyrrhizone |
0.000 | [12a-Hydroxyrotenone (12a-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | 12a-Methoxydolineone |
0.000 | [3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | 3-Phenylcoumarin | Neofolin |
Level: 3, プリカーサーm/z: 349.27924 |
Splash: splash10-001i-0139000000-d085de9e764e185234c9 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
331.17 | 14152 | 18 | 1000 |
285.27 | 3599 | 64 | 254 |
313.31 | 3202 | 36 | 226 |
267.20 | 2676 | 82 | 189 |
195.10 | 2515 | 154 | 177 |
303.30 | 2395 | 46 | 169 |
305.30 | 1944 | 44 | 137 |
261.16 | 1384 | 88 | 97 |
287.10 | 1036 | 62 | 73 |
295.27 | 861 | 54 | 60 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.214 | [Dihydroflavonol]-A(2OH)-B(1OH, 2OMe) | Dihydroflavonol | Dihydrosyringetin |
0.143 | [Flavonol]-A(2OH, 1OMe)-B(3OH) | Flavonol | Hibiscetin 8-methyl ether |
0.091 | [Flavonol]-A(3OH)-B(2OH, 1OMe) | Flavonol | 3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone |
0.091 | [Flavonol]-A(4OH)-B(1OH, 1OMe) | Flavonol | 3,5,6,7,8,4'-Hexahydroxy-3'-methoxyflavone |
0.077 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone |
0.077 | [Dihydroflavonol]-A(1OH, 2OMe)-B(2OH) | Dihydroflavonol | Dihydrogossypetin 7,8-dimethyl ether |
0.071 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavan 3-ol | Gallocatechin 7,3',5'-trimethyl ether |
0.067 | [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 |
Level: 3, プリカーサーm/z: 313.23306 |
Splash: splash10-00ks-0090000000-9e823bd99cd165903d4b |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
285.18 | 3981 | 28 | 1000 |
267.23 | 3455 | 46 | 867 |
295.14 | 1824 | 18 | 458 |
249.24 | 493 | 64 | 123 |
239.23 | 390 | 74 | 98 |
132.97 | 281 | 180 | 70 |
241.34 | 268 | 72 | 67 |
199.09 | 256 | 114 | 64 |
225.15 | 236 | 88 | 59 |
277.25 | 223 | 36 | 56 |
185.03 | 210 | 128 | 52 |
227.02 | 204 | 86 | 51 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.185 | [Isoflavone]-A(1OMe)-B(2OMe) | Isoflavone | Cabreuvin |
0.063 | [Coumestan]-A(1OH)-B(2OMe) | Coumestan | 3-Hydroxy-8,9-dimethoxycoumestan |
0.063 | [Coumestan]-A(1OH)-B(2OMe) | Coumestan | Wairol |
0.000 | [Flavone]-A(1OMe)-B(2OMe) | Flavone | 7,3',4'-Trimethoxyflavone |
0.000 | [Flavone]-A(1OMe)-B(2OMe) | Flavone | 7,2',4'-Trimethoxyflavone |
0.000 | [Flavone]-A(2OMe)-B(1OMe) | Flavone | 5,6,2'-Trimethoxyflavone |
0.000 | [Flavone]-A(1OMe)-B(2OMe) | Flavone | 6,2',3'-Trimethoxyflavone |
0.000 | [Flavone]-A(2OMe)-B(1OMe) | Flavone | 5,6,3'-Trimethoxyflavone |
0.000 | [Flavone]-A(none)-B(3OMe) | Flavone | 3',4',5'-Trimethoxyflavone |
0.000 | [Flavone]-A(2OMe)-B(1OMe) | Flavone | 5,7,2'-Trimethoxyflavone |
0.000 | [Flavone]-A(2OMe)-B(1OMe) | Flavone | Apigenin 5,7,4'-trimethyl ether |
0.000 | [Flavone]-A(3OMe)-B(none) | Flavone | Baicalein 5,6,7-trimethyl ether |
0.000 | [Flavone]-A(3OMe)-B(none) | Flavone | Norwogonin 5,7,8-trimethyl ether |
0.000 | [Chalcone]-A(none)-B(2OH, 1OMe, 1Formyl, 1Methyl) | Chalcone | 3-Formyl-4,6-dihydroxy-2-methoxy-5-methylchalcone |
0.000 | [Chalcone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Chalcone | 3,4-Methylenedioxy-2',4'-dimethoxychalcone |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Formyl, 1Methyl)-B(none) | 2'-Hydroxychalcone | Leridal chalcone |
0.000 | [Chalcone]-A(2OMe, 1([@@]-Methylenedioxy))-B(none) | Chalcone | Helilandin A |
0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Galiposin |
0.000 | [UBR-type derivative / 2',6'-Dioxo-3'-enyl-0-hydroxy-type Chalcone]-A(1OMe, 3Methyl)-B(none) | UBR-type derivative / 2',6'-Dioxo-3'-enyl-0-hydroxy-type Chalcone | Desmosdumotin C |
0.000 | [Flavanone]-A(1OH, 1OMe, 1Formyl, 1Methyl)-B(none) | Flavanone | Leridal |
0.000 | [Flavanone]-A(1OH, 1OMe, 1Formyl, 1Methyl)-B(none) | Flavanone | Desmosflavanone II |
0.000 | [Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Flavone | Prosogerin A |
0.000 | [Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 6-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone |
0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH) | Flavone | 5,2'-Dihydroxy-7-methoxy- 6,8-dimethylflavone |
0.000 | [Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OMe) | Flavone | 8-Demethyleucalyptin |
0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH) | Flavone | Sideroxylin |
0.000 | [Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone |
0.000 | [Flavonol (3-OMe)]-A(1OH)-B(1([@@]-Methylenedioxy)) | Flavonol | 3-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone |
0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(none) | Flavonol | Galangin 3,5,7-trimethyl ether |
0.000 | [Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(none) | Flavonol | 5,7-Dihydroxy-3-methoxy-6,8-dimethylflavone |
0.000 | [Flavonol]-A(1OH, 1OMe, 2Methyl)-B(none) | Flavonol | 3,5-Dihydroxy-7-methoxy-6,8-dimethylflavone |
0.000 | [Isoflavone]-A(1OH)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Cuneatin |
0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Fujikinetin |
0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Maximaisoflavone E |
0.000 | [Isoflavone]-A(1OH, 1OMe, 1Methyl)-B(1OMe) | Isoflavone | 7-Hydroxy-5,4'-dimethoxy-8-methylisoflavone |
0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH) | Isoflavone | Betavulgarin |
0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OMe) | Isoflavone | Irisone A |
0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH) | Isoflavone | Irisolone |
0.000 | [UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene]-A(1OMe)-B(1OMe) | UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene | 4-Deoxybryaquinone |
0.000 | [Pterocarpene]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpene | 3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene |
0.000 | [Pterocarpene]-A(1OMe)-B(2OMe) | Pterocarpene | Bryacarpene 5 |
0.000 | [6-Hydroxydehydrorotenone]-A(2OH, 1Methyl)-B(none) | 6-Hydroxydehydrorotenone | Boeravinone B |
0.000 | [4-phenylcoumarin]-A(2OMe)-B(1OMe) | 4-phenylcoumarin | 5,7,4'-Trimethoxy-4-phenylcoumarin |
0.000 | [CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OMe)-B(1OH, 1OMe) | CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin | 5'-Hydroxy-7,4'-dimethoxy-5,2'-oxido-4-phenylcoumarin |
関連ピーク情報
ピーク番号 | 保持時間 (min) | m/z | m/z差分 | ログ強度 | アダクト | DB検索結果 | ヒット数 | MSn | FS2 | FS3 | N原子数 | S原子数 | 共有数 |
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