ピーク情報
カシューナッツ フライ 味付け
pos
|
Peak #5368 MN MID: SE118_S050051_M90 |
m/z: 331.26337, RT: 99.33, 強度: 4221, ログ強度: 0.28, 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: (24 names) 15-alpha-Hydroxymansumbinone;2-Methyl-5alpha-androst-2-en-17beta-ol acetate;3alpha-Acetoxybiformene;Sandaracopimarinol acetate;1-Phenyl-1,3-hexadecanedione;17beta-Hydroxy-4,4,17-trimethylandrost-5-en-... |
DBごとのヒット数: ALL 23 KG 5 KN 7 HM 4 LM 7 |
FlavonoidSearch最大スコア MS2: 0.190, 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 |
---|---|---|---|---|
C22H34O2 | 330.25588 | 0.636 | 15-alpha-Hydroxymansumbinone | KNApSAcK: C00036416 |
C22H34O2 | 330.25588 | 0.636 | 2-Methyl-5alpha-androst-2-en-17beta-ol acetate | KEGG: C15421 |
C22H34O2 | 330.25588 | 0.636 | 3alpha-Acetoxybiformene | KNApSAcK: C00023278 |
C22H34O2 | 330.25588 | 0.636 | 1-Phenyl-1,3-hexadecanedione | HMDB: HMDB0035581 |
C22H34O2 | 330.25588 | 0.636 | Sandaracopimarinol acetate | KNApSAcK: C00031286 |
C22H34O2 | 330.25588 | 0.636 | 17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one | KEGG: C15413 |
C22H34O2 | 330.25588 | 0.636 | 3beta-Acetoxy-7,15-isopimaradiene | KNApSAcK: C00048284 |
C22H34O2 | 330.25588 | 0.636 | Eicosapentaenoic ethyl ester | HMDB: HMDB0251720 |
C22H34O2 | 330.25588 | 0.636 | 2-Ethylicosa-2,4,6,8,10-pentaenoic acid | HMDB: HMDB0255382 |
C22H34O2 | 330.25588 | 0.636 | (7Z,10Z,13Z,16Z,19Z)-Docosapentaenoic acid | HMDB: HMDB0006528, HMDB0247288, [-1]HMDB0304261 KEGG: C16513 KNApSAcK: C00052249 LipidMAPS: LMFA01030184, LMFA04000044 |
C22H34O2 | 330.25588 | 0.636 | (3Z,5E,10E)-7-Ethoxy-3,7,11,15-tetramethylhexadeca-1,3,5,10,14-pentaene | KNApSAcK: C00022053, C00022056 |
C22H34O2 | 330.25588 | 0.636 | (5Z,7E)-(3S)-23,24-dinor-9,10-seco-5,7,10(19)-cholatrien-3,22-diol | LipidMAPS: LMST03020010 |
C22H34O2 | 330.25588 | 0.636 | 4,8,12,15,19-docosapentaenoic acid | HMDB: HMDB0039133 LipidMAPS: LMFA01030183, LMFA04000082 |
C22H34O2 | 330.25588 | 0.636 | Taxa-4(20),11(12)-dien-5alpha-yl acetate | HMDB: HMDB0304493 KEGG: C11896 KNApSAcK: C00053810 LipidMAPS: LMPR0104390004 |
C22H34O2 | 330.25588 | 0.636 | 2-Methyl-5-(8,11-pentadecadienyl)-1,3-benzenediol | HMDB: HMDB0038909 LipidMAPS: LMPK15030058 |
C22H34O2 | 330.25588 | 0.636 | Clathrin A | KNApSAcK: C00047025 |
C22H34O2 | 330.25588 | 0.636 | (5Z,7E)-(1S,3R)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol | LipidMAPS: LMST03020009 |
C22H34O2 | 330.25588 | 0.636 | 10-[5]-ladderane-decanoic acid | LipidMAPS: LMFA01140013 |
C22H34O2 | 330.25588 | 0.636 | (5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid ethyl ester | HMDB: HMDB0039530, HMDB0249402 KEGG: C16184, C13364 LipidMAPS: LMFA07010877 |
C22H34O2 | 330.25588 | 0.636 | (-)-ent-Kaur-16-en-19-ol | HMDB: HMDB0035024 KNApSAcK: C00049866 |
C22H34O2 | 330.25588 | 0.636 | Ethyl abietate | HMDB: HMDB0032257 |
C22H34O2 | 330.25588 | 0.636 | Docosa-2,4,6,8,10-pentaenoic acid | HMDB: HMDB0251562 LipidMAPS: LMFA04000049 |
C22H34O2 | 330.25588 | 0.636 | Docosapentaenoic acid (22n-6) | HMDB: HMDB0001976, HMDB0246621 LipidMAPS: LMFA01030182, LMFA04000064 |
MSnスペクトル情報
Level: 2, プリカーサーm/z: 331.26318 |
Splash: splash10-002r-0940000000-62c3d95f912b4296e977 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
136.96 | 1184 | 194 | 1000 |
177.05 | 591 | 154 | 499 |
191.12 | 254 | 140 | 214 |
205.16 | 220 | 126 | 186 |
235.22 | 209 | 96 | 176 |
275.39 | 195 | 56 | 164 |
151.06 | 175 | 180 | 147 |
163.03 | 124 | 168 | 104 |
261.30 | 120 | 70 | 101 |
247.20 | 96 | 84 | 81 |
289.34 | 92 | 42 | 77 |
233.20 | 82 | 98 | 69 |
219.18 | 75 | 112 | 63 |
249.15 | 61 | 82 | 51 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.250 | [Flavanone]-A(2OMe)-B(1OH, 1OMe) | Flavanone | 4'-Hydroxy-5,7,2'-trimethoxyflavanone |
0.250 | [Flavanone]-A(1OH, 1OMe)-B(2OMe) | Flavanone | 5-Hydroxy-7,2',3'-trimethoxyflavanone |
0.250 | [Flavanone]-A(1OH, 1OMe)-B(2OMe) | Flavanone | Eriodictyol 7,3',4'-trimethyl ether |
0.250 | [Flavanone]-A(1OH, 1OMe)-B(2OMe) | Flavanone | Cerasinone |
0.136 | [Flavanone]-A(1OH, 3OMe)-B(none) | Flavanone | Isopedicin |
0.136 | [Flavanone]-A(1OH, 3OMe)-B(none) | Flavanone | 5-Hydroxy-6,7,8-trimethoxyflavanone |
0.136 | [Flavanone]-A(1OH, 3OMe)-B(none) | Flavanone | Kwangsienin A |
0.136 | [Flavanone]-A(3OMe)-B(1OH) | Flavanone | 4'-Hydroxy-5,6,7-trimethoxyflavanone |
0.136 | [Flavanone]-A(1OH, 2OMe)-B(1OMe) | Flavanone | 5-Hydroxy-6,7,4'-trimethoxyflavanone |
0.136 | [Flavanone]-A(1OH, 2OMe)-B(1OMe) | Flavanone | 7-Hydroxy-5,8,2'-trimethoxyflavanone |
0.136 | [Flavanone]-A(1OH, 2OMe)-B(1OMe) | Flavanone | 5-Hydroxy-7,8,4'-trimethoxyflavanone |
0.133 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | Podospicatin |
0.133 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | Iristectorigenin B |
0.133 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | Iristectorigenin A |
0.133 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | 5,7,4'-Trihydroxy-8,3'-dimethoxyisoflavone |
0.133 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | 5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone |
0.133 | [Isoflavone]-A(1OH, 2OMe)-B(2OH) | Isoflavone | 6-Methoxyorobol 7-methyl ether |
0.133 | [Isoflavone]-A(2OH)-B(1OH, 2OMe) | Isoflavone | 2'-Hydroxy-5'-methoxybiochanin A |
0.111 | [Pterocarpan]-A(1OH, 1OMe)-B(2OMe) | Pterocarpan | Melilotocarpan C |
0.111 | [Pterocarpan]-A(2OMe)-B(1OH, 1OMe) | Pterocarpan | Odoricarpan |
0.095 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe) | 2'-Hydroxychalcone | Okanin 3,4,3'-trimethyl ether |
0.095 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe) | 2'-Hydroxychalcone | Cerasin |
0.095 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 4,2'-Dihydroxy-3,4',6'-trimethoxychalcone |
0.095 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 3,2'-Dihydroxy-4,4',6'-trimethoxychalcone |
0.095 | [Isoflavanone]-A(1OH)-B(3OMe) | Isoflavanone | 3'-O-Methylviolanone |
0.095 | [Isoflavanone]-A(1OMe)-B(1OH, 2OMe) | Isoflavanone | 3'-Methoxyisosativanone |
0.071 | [Flavonol]-A(1OH)-B(1OH, 2OMe) | Flavonol | Laurentinol |
0.071 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | 3,5,2'-Trihydroxy-7,5'-dimethoxyflavone |
0.071 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetin 5,3'-dimethyl ether |
0.071 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetin 5,4'-dimethyl ether |
0.071 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Rhamnazin |
0.071 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Ombuin |
0.071 | [Flavonol]-A(2OH)-B(2OMe) | Flavonol | Morelosin |
0.071 | [Flavonol]-A(2OH)-B(2OMe) | Flavonol | Dillenetin |
0.053 | [Pterocarpan]-A(1OH, 2OMe)-B(1OMe) | Pterocarpan | 4-Hydroxy-2,3,9-trimethoxypterocarpan |
0.045 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH) | 2'-Hydroxychalcone | 4,6'-Dihydroxy-2',3',4'-trimethoxychalcone |
0.045 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH) | 2'-Hydroxychalcone | 4,2'-Dihydroxy-3',4',6'-trimethoxychalcone |
0.045 | [2'-Hydroxychalcone]-A(2OH, 2OMe)-B(1OMe) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-2,3',6'-trimethoxychalcone |
0.045 | [2'-Hydroxychalcone]-A(2OH, 3OMe)-B(none) | 2'-Hydroxychalcone | Pedicin |
0.042 | [Chalcone]-A(1OH, 4OMe)-B(none) | Chalcone | Isodidymocarpin |
0.036 | [Anthocyanidin]-A(1OH, 1OMe)-B(2OH, 1OMe) | Anthocyanidin | Europinidin |
0.036 | [Anthocyanidin]-A(2OH)-B(1OH, 2OMe) | Anthocyanidin | Malvidin |
0.034 | [Flavonol]-A(2OH, 2OMe)-B(none) | Flavonol | 3,5,7-Trihydroxy-6,8-dimethoxyflavone |
0.034 | [Flavonol]-A(2OH, 1OMe)-B(1OMe) | Flavonol | Betuletol |
0.034 | [Flavonol]-A(2OH, 1OMe)-B(1OMe) | Flavonol | 3,5,6-Trihydroxy-7,4'-dimethoxyflavone |
0.034 | [Flavonol]-A(2OH, 1OMe)-B(1OMe) | Flavonol | Herbacetin 7,4'-dimethyl ether |
0.034 | [Flavonol]-A(2OH, 1OMe)-B(1OMe) | Flavonol | Prudomestin |
0.034 | [Flavonol]-A(1OH, 2OMe)-B(1OH) | Flavonol | 6-Hydroxykaempferol 5,6-dimethyl ether |
0.034 | [Flavonol]-A(1OH, 2OMe)-B(1OH) | Flavonol | Herbacetin 7,8-dimethyl ether |
0.000 | [Flavone]-A(2OH)-B(1OH, 2OMe) | Flavone | 6,7,4'-Trihydroxy-3',5'-dimethoxyflavone |
0.000 | [Flavone]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,4',5'-Trihydroxy-6,2'-dimethoxyflavone |
0.000 | [Flavone]-A(2OH)-B(1OH, 2OMe) | Flavone | Apometzgerin |
0.000 | [Flavone]-A(2OH)-B(1OH, 2OMe) | Flavone | Tricin |
0.000 | [Flavone]-A(2OMe)-B(3OH) | Flavone | Isoetin 5,7-dimethyl ether |
0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | 5,2',6'-Trihydroxy-6,7-dimethoxyflavone |
0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | 6-Hydroxyluteolin 5,6-dimethyl ether |
0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Jaceosidin |
0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Desmethoxycentaureidin |
0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | Cirsiliol |
0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | 6-Hydroxyluteolin 7,3'-dimethyl ether |
0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Nuchensin |
0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Tamaridone |
0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | 5,2',3'-Trihydroxy-7,8-dimethoxyflavone |
0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | Rehderianin I |
0.000 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | Viscidulin II |
0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | 5,7,2'-Trihydroxy-8,6'-dimethoxyflavone |
0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Hypolaetin 7,3'-dimethyl ether |
0.000 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Hypolaetin 8,3'-dimethyl ether |
0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | 5,8,2'-Trihydroxy-6,7-dimethoxyflavone |
0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | 5,7,2'-trihydroxy-6,8-dimethoxyflavone |
0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | Isothymusin |
0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | Desmethoxysudachitin |
0.000 | [Flavone]-A(3OH, 1OMe)-B(1OMe) | Flavone | 5,6,8-Trihydroxy-7,4'-dimethoxyflavone |
0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | Thymusin |
0.000 | [Flavone]-A(3OH, 1OMe)-B(1OMe) | Flavone | 5,6,7-Trihydroxy-8,4'-dimethoxyflavone |
0.000 | [Dihydroflavonol (3-OMe)]-A(1OH, 1OMe)-B(1OMe) | Dihydroflavonol | 7-Hydroxy-3,5,4'-trimethoxyflavanone |
0.000 | [Dihydroflavonol]-A(2OMe)-B(1OMe) | Dihydroflavonol | 3-Hydroxy-5,7,4'-trimethoxyflavanone |
0.000 | [Pterocarpan]-A(1OH)-B(3OMe) | Pterocarpan | 9-O-Methylphilenopteran |
0.000 | [Dihydrochalcone beta-ol]-A(2OMe, 1([@@]-Methylenedioxy))-B(none) | Dihydrochalcone beta-ol | beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone |
0.000 | [Flavanone]-A(2OH, 2Methyl)-B(1OH, 1OMe) | Flavanone | 5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone |
0.000 | [Flavanone]-A(2OH, 2Methyl)-B(1OH, 1OMe) | Flavanone | 2'-Hydroxymatteucinol |
0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone]-A(1OH, 1OMe)-B(1OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone | Remerin |
0.000 | [Dihydroflavonol]-A(2OH)-B(1OH)-C(1(O-Acetyl)) | Dihydroflavonol | Aromadendrin 3-O-acetate |
0.000 | [CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH, 1OMe)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone | 5-Methoxypeltogynone |
0.000 | [CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH, 1OMe)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone | 5-Methoxymopanone |
0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH) | Flavonol | 7,3',4'-Trihydroxy-3,8-dimethoxyflavone |
0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe) | Flavonol | 7,8,4'-Trihydroxy-3,3'-dimethoxyflavone |
0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe) | Flavonol | Quercetin 3,3'-dimethyl ether |
0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe) | Flavonol | Quercetin 3,4'-dimethyl ether |
0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH) | Flavonol | Caryatin |
0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH) | Flavonol | Quercetin 3,7-dimethyl ether |
0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH) | Flavonol | 6-C-Methylquercetin 3-methyl ether |
0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH) | Flavonol | 8-C-Methylquercetin 3-methyl ether |
0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OMe) | Flavonol | 6-Hydroxykaempferol 3,4'-dimethyl ether |
0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH) | Flavonol | 6-Methoxykaempferol 3-methyl ether |
0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH) | Flavonol | 6-Hydroxykaempferol 3,7-dimethyl ether |
0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OMe) | Flavonol | 5,7,8-Trihydroxy-3,4'-dimethoxyflavone |
0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH) | Flavonol | 3,7-Dimethylherbacetin |
0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH) | Flavonol | Herbacetin 3,8-dimethyl ether |
0.000 | [Flavonol (3-OMe)]-A(3OH, 1OMe)-B(none) | Flavonol | 5,7,8-Trihydroxy-3,6-dimethoxyflavone |
0.000 | [Flavan 3-ol]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavan 3-ol | 3',4'-Methylenedioxy catechin 5,7-dimethyl ether |
0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-oxodihydropyrano)-Flavan 3-ol]-A(1OH)-B(2OH) | CCS-type derivative / [2,3,4:5,4a,4]-(6-oxodihydropyrano)-Flavan 3-ol | Dryopterin |
0.000 | [CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan]-A(2OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan | 8-Hydroxy-5,5-dimethylpeltogynan |
0.000 | [Flavan 4-ol (4-OMe)]-A(2OH, 2Methyl)-B(1OMe) | Flavan 4-ol | 5,7-Dihydroxy-4,4'-dimethoxy-6,8-dimethylflavan |
0.000 | [Pterocarpan]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan | Trifolian |
0.000 | [Pterocarpan-6a-ol]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Hildecarpin |
0.000 | [Pterocarpan-6a-ol]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Tephrocarpin |
0.000 | [12a-Hydroxyrotenone]-A(1OH, 1OMe)-B(1OH) | 12a-Hydroxyrotenone | 4,11,12a-Trihydroxy-9-methoxyrotenone |
0.000 | [4-phenylcoumarin]-A(1OH, 2OMe)-B(2OH) | 4-phenylcoumarin | 8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin |
Level: 3, プリカーサーm/z: 177.05304 |
Splash: splash10-0002-0900000000-2c8e740666f23a74832d |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
149.11 | 110 | 28 | 1000 |
159.05 | 19 | 18 | 173 |
130.95 | 14 | 46 | 126 |
161.85 | 7 | 15 | 64 |
121.01 | 6 | 56 | 58 |
FlavonoidSearch結果
ヒットなし