ピーク情報
|
トマト Micro-Tom 成熟果実の果皮
pos
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| Peak #10239 MN MID: SE203_S11_M90 |
| m/z: 369.26344, RT: 85.96, 強度: 3207, ログ強度: -0.06, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (18 names) MG(18:3(9,11,15)-OH(13)/0:0/0:0);Prostaglandin F2alpha methyl ester;MG(0:0/18:2(10E,12Z)+=O(9)/0:0);Carboprost;Arvoside A;Protoconstipatic acid;MG(0:0/18:2(9Z,11E)+=O(13)/0:0);Betaenone B;MG(18:3(10,1... |
| DBごとのヒット数: ALL 18 KG 2 KN 4 HM 10 LM 2 |
| FlavonoidSearch最大スコア MS2: 0.300, MS3: 0.065 |
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 |
|---|---|---|---|---|
| C21H36O5 | 368.25627 | -0.306 | MG(18:3(9,11,15)-OH(13)/0:0/0:0) | HMDB: HMDB0260508 |
| C21H36O5 | 368.25627 | -0.306 | Prostaglandin F2alpha methyl ester | HMDB: HMDB0256372 LipidMAPS: LMFA03010115 |
| C21H36O5 | 368.25627 | -0.306 | MG(0:0/18:2(10E,12Z)+=O(9)/0:0) | HMDB: HMDB0260540 |
| C21H36O5 | 368.25627 | -0.306 | Carboprost | HMDB: HMDB0014573, HMDB0249644 KEGG: C06872 LipidMAPS: LMFA03010080, LMFA03010121 |
| C21H36O5 | 368.25627 | -0.306 | Arvoside A | KNApSAcK: C00021273 |
| C21H36O5 | 368.25627 | -0.306 | Protoconstipatic acid | KNApSAcK: C00037691 |
| C21H36O5 | 368.25627 | -0.306 | MG(0:0/18:2(9Z,11E)+=O(13)/0:0) | HMDB: HMDB0260541 |
| C21H36O5 | 368.25627 | -0.306 | MG(18:3(10,12,15)-OH(9)/0:0/0:0) | HMDB: HMDB0260507 |
| C21H36O5 | 368.25627 | -0.306 | Betaenone B | KNApSAcK: C00000529 |
| C21H36O5 | 368.25627 | -0.306 | MG(18:2(10E,12Z)+=O(9)/0:0/0:0) | HMDB: HMDB0260488 |
| C21H36O5 | 368.25627 | -0.306 | gamma-Eudesmol 11-alpha-L-rhamnoside | HMDB: HMDB0037961 KNApSAcK: C00045958 |
| C21H36O5 | 368.25627 | -0.306 | MG(18:2(9Z,11E)+=O(13)/0:0/0:0) | HMDB: HMDB0260489 |
| C21H36O5 | 368.25627 | -0.306 | 9-oxo-11R,15S-dihydroxy-15-methyl-13E-prostaenoic acid | LipidMAPS: LMFA03010056 |
| C21H36O5 | 368.25627 | -0.306 | MG(0:0/18:3(10,12,15)-OH(9)/0:0) | HMDB: HMDB0260559 |
| C21H36O5 | 368.25627 | -0.306 | Misoprostol acid | HMDB: HMDB0254756 |
| C21H36O5 | 368.25627 | -0.306 | Cortol | HMDB: HMDB0003180, HMDB0005821 KEGG: C05482 LipidMAPS: LMST02030228, LMST02030229, LMST02030231, LMST02030233 |
| C21H36O5 | 368.25627 | -0.306 | MG(0:0/18:3(9,11,15)-OH(13)/0:0) | HMDB: HMDB0260560 |
| C22H32ON4 | 368.25761 | -3.938 | Proterguride | HMDB: HMDB0256868 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 369.26340 |
| Splash: splash10-0udi-0009000000-70df4d80e364c8bc7f84 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 351.41 | 671 | 18 | 1000 |
| 327.08 | 47 | 42 | 69 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.300 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| 0.300 | [Flavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Abyssinin I |
| 0.231 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | 4'-O-Methylxanthohumol |
| 0.214 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe) | Flavanone | Flowerine |
| 0.200 | [Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavanone | Glycyrrhisoflavanone |
| 0.200 | [Isoflavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavanone | Isosophoronol |
| 0.111 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavone | Cannflavin B |
| 0.091 | [Isoflavone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavone | 2'-Deoxypiscerythrone |
| 0.091 | [Isoflavone]-A(1OH, 1OMe)-B(2OH, 1(C-Prenyl)) | Isoflavone | Glisoflavone |
| 0.091 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavone | Gancaonin B |
| 0.091 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavone | 5,7,4'-Trihydroxy-3'-methoxy-8-prenylisoflavone |
| 0.091 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavone | Gancaonin N |
| 0.091 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | Isoflavone | Barpisoflavone B |
| 0.091 | [Isoflavone]-A(1OH)-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Kwakhurin |
| 0.083 | [Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe) | Pterocarpan | Edulenol |
| 0.050 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OMe) | Flavonol | Noranhydroicaritin 4'-methyl ether |
| 0.050 | [Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavonol | Sophoflavescenol |
| 0.050 | [Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavonol | Isoanhydroicaritin |
| 0.000 | [Flavanone]-A(2OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavanone | Quercetol C |
| 0.000 | [Flavanone]-A(2OMe, 1(3-Methyl-2,3-epoxybutyl))-B(none) | Flavanone | Epoxycandidone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Hydroxymethyl)-B(1OH) | Flavanone | 4',5-Dihydroxy-8-hydroxymethyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone |
| 0.000 | [UBR-type derivative / 7-Oxo-cyclohex-4a-enyl-type Flavanone]-A(1OH, 2Methyl, 1(1-Methyl-1-([5,4;6,5]-tetrahydrofuran-3-yl)-ethyl))-B(none) | UBR-type derivative / 7-Oxo-cyclohex-4a-enyl-type Flavanone | Louisfieserone A |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH, 1OMe) | Flavone | Ciliatin B |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe)-B(2OH) | 3-substituted Flavone | Integrin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH)-B(2OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cyclochampedol |
| 0.000 | [CCS-type derivative / [2',3]-(Epoxy-1,1-dimethylpropyno)flavone]-A(1OH, 1OMe)-B(1OH) | CCS-type derivative / [2',3]-(Epoxy-1,1-dimethylpropyno)flavone | Cyclointegrin |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(2OH)-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artoindonesianin P |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavonol | Topazolin |
| 0.000 | [Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(1OMe) | Flavonol | 3,5,7-Trihydroxy-4'-methoxy-8-(1,1-dimethylprop-2-en-1-yl)flavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH) | Flavonol | Ugonin C |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Flavonol | Velloquercetin |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(2OMe, 1(C-Prenyl))-B(none) | Flavan 4-ol | Quercetol B |
| 0.000 | [Flavan-2-ol (2-OMe)]-A(2OMe, 1(C-Prenyl))-B(none) | Flavan-2-ol | Tephrowatsin D |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Isoflavan | Sphaerosinin |
| 0.000 | [Isoflavan]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Leiocinol |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautanol |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OMe) | Pterocarpan | Edulane |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OMe) | Pterocarpan-6a-ol | 9-O-Methylglyceofuran |
| 0.000 | [Coumestan]-A(1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))-B(1OH) | Coumestan | Corylidin |
| 0.000 | [Rotenone]-A(1OH, 1([2,3:@@]-Furano))-B(2OMe) | Rotenone | Malaccol |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-Furano))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Hydroxyerosone |
| 0.000 | [Coumaranochromon]-A(2OH)-B(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Coumaranochromon | Lupinalbin E |
| 0.000 | [Coumaranochromon]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Coumaranochromon | Lupinalbin C |
| 0.000 | [3-Phenylcoumarin]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | 3-Phenylcoumarin | Glycycoumarin |
| 0.000 | [3-Phenylcoumarin]-A(1OH, 1OMe, 1(1,1-Dimethylallyl))-B(2OH) | 3-Phenylcoumarin | Licoarylcoumarin |
| 0.000 | [3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH) | 3-Phenylcoumarin | Isoglycycoumarin |
| Level: 3, プリカーサーm/z: 351.25290 |
| Splash: splash10-004i-0491000000-bebe56b025894f13e00c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 277.21 | 126 | 74 | 1000 |
| 333.26 | 28 | 18 | 225 |
| 175.01 | 13 | 176 | 106 |
| 153.15 | 12 | 198 | 92 |
| 177.19 | 11 | 174 | 87 |
| 161.18 | 10 | 190 | 82 |
| 149.09 | 9 | 202 | 72 |
| 145.32 | 9 | 206 | 68 |
| 241.13 | 8 | 110 | 66 |
| 257.24 | 8 | 94 | 63 |
| 199.26 | 7 | 152 | 57 |
| 217.29 | 7 | 134 | 53 |
| 123.14 | 7 | 228 | 53 |
| 158.83 | 7 | 192 | 52 |
| 231.09 | 6 | 120 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.065 | [Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Lanceolone�G4'-Hydroxy-5-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone |
| 0.065 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Isoflavone | 4'-O-methylalpinumisoflavone |
| 0.065 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Isoflavone | 4'-O-Methylderrone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | 2'-Hydroxychalcone | Glabrachromene II |
| 0.000 | [Flavanone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Ovaliflavanone B |
| 0.000 | [Flavone]-A(1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | Flavone | Semiglabrinol |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautenane |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Leiocarpin |