ピーク情報
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パセリ 葉
pos
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| Peak #9265 MN MID: SE61_S21_M90 |
| m/z: 327.25295, RT: 77.50, 強度: 5001, ログ強度: 0.11, アダクト: [M+CH3OH-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (44 names) 11-HpODE;7S,8S-Dihydroxylinoleic acid;9-Hydroxy-12-oxo-15(Z)-octadecenoic acid;15,16-DiHODE;13-hydroxy-10-oxo-11E-octadecenoic acid;8,13-dihydroxy-9,11-octadecadienoic acid;(9R,12R,13S)-12,13-Dihydrox... |
| DBごとのヒット数: ALL 43 KG 12 KN 1 HM 2 LM 28 |
| 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 |
|---|---|---|---|---|
| C18H32O4 | 312.23006 | -0.115 | (9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid | HMDB: HMDB0062281 KEGG: C07338 LipidMAPS: LMFA02000115 |
| C18H32O4 | 312.23006 | -0.115 | (7S,8S)-DiHODE | KEGG: C07354 KNApSAcK: C00000399 LipidMAPS: LMFA02000224 |
| C18H32O4 | 312.23006 | -0.115 | 15,16-DiHODE | HMDB: HMDB0010208 LipidMAPS: LMFA02000047 |
| C18H32O4 | 312.23006 | -0.115 | 9-Hydroxy-12-oxo-15(Z)-octadecenoic acid | KEGG: C21924 |
| C18H32O4 | 312.23006 | -0.115 | (±)-(E)-13-Hydroxy-10-oxo-11-octadecenoic acid | HMDB: HMDB0040900 LipidMAPS: LMFA02000249 |
| C18H32O4 | 312.23006 | -0.115 | 8,13-dihydroxy-9,11-octadecadienoic acid | LipidMAPS: LMFA02000166 |
| C18H32O4 | 312.23006 | -0.115 | (9R,12R,13S)-12,13-Dihydroxy-9,10-octadecadienoic acid | LipidMAPS: LMFA02000359 |
| C18H32O4 | 312.23006 | -0.115 | 12-hydroperoxy-9Z,13E-octadecadienoic acid | LipidMAPS: LMFA02000102 |
| C18H32O4 | 312.23006 | -0.115 | 18-Hydroperoxyoctadeca-2,4-dienoic acid | HMDB: HMDB0257631 |
| C18H32O4 | 312.23006 | -0.115 | 10,13-dihydroxyoctadeca-9Z,12Z-dienoic acid | LipidMAPS: LMFA02000357 |
| C18H32O4 | 312.23006 | -0.115 | octadecenedioate | HMDB: HMDB0304442 |
| C18H32O4 | 312.23006 | -0.115 | 9-oxo-13-hydroxy-11-octadecenoic acid | LipidMAPS: LMFA02000248 |
| C18H32O4 | 312.23006 | -0.115 | 9(S)-HPODE | HMDB: HMDB0006940, HMDB0062434, HMDB0242602, [-1]HMDB0303982 KEGG: C14827 KNApSAcK: C00000393 LipidMAPS: LMFA02000012, LMFA02000100, LMFA02000402 |
| C18H32O4 | 312.23006 | -0.115 | 9,14-dihydroxy-10,12-octadecadienoic acid | LipidMAPS: LMFA02000167 |
| C18H32O4 | 312.23006 | -0.115 | (+/-)-9,10-dihydroxy-6Z,12Z-octadecadienoic acid | LipidMAPS: LMFA02000049 |
| C18H32O4 | 312.23006 | -0.115 | 9,10-DiHODE | HMDB: HMDB0010221 LipidMAPS: LMFA02000045 |
| C18H32O4 | 312.23006 | -0.115 | 10,11-dihydroxyoctadeca-9E,12Z-dienoic acid | LipidMAPS: LMFA02000364 |
| C18H32O4 | 312.23006 | -0.115 | 10S,11S-epoxy-9S-hydroxy-12Z-octadecenoic acid | LipidMAPS: LMFA02000010 |
| C18H32O4 | 312.23006 | -0.115 | 9,10-Epoxy-13-hydroxy-11-octadecenoate | KEGG: C14834 LipidMAPS: LMFA02000278 |
| C18H32O4 | 312.23006 | -0.115 | 9-hydroxy-13-oxo-10-octadecenoic acid | LipidMAPS: LMFA02000172 |
| C18H32O4 | 312.23006 | -0.115 | 5S,8R-DiHODE | KEGG: C20186 LipidMAPS: LMFA02000284 |
| C18H32O4 | 312.23006 | -0.115 | 2-pentyl-4Z-tridecene-1,13-dioic acid | LipidMAPS: LMFA01170140 |
| C18H32O4 | 312.23006 | -0.115 | Dihydroxy-2-cyclopentene-1-tridecanoic acid | LipidMAPS: LMFA01140029 |
| C18H32O4 | 312.23006 | -0.115 | Hygrophorone A12 | KNApSAcK: C00050789 |
| C18H32O4 | 312.23006 | -0.115 | 9-hydroxy-10-oxo-12-octadecenoic acid | LipidMAPS: LMFA02000009, LMFA02000170 |
| C18H32O4 | 312.23006 | -0.115 | 9-hydroxy-12-oxo-10-octadecenoic acid | LipidMAPS: LMFA02000171 |
| C18H32O4 | 312.23006 | -0.115 | 13,16-Epoxy-12-hydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA03000024 |
| C18H32O4 | 312.23006 | -0.115 | (9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid | HMDB: HMDB0003871, HMDB0062637 KEGG: C04717 KNApSAcK: C00000394 LipidMAPS: LMFA02000034, LMFA02000099, LMFA02000329 |
| C18H32O4 | 312.23006 | -0.115 | 12,13-DiHODE | HMDB: HMDB0010201 LipidMAPS: LMFA02000046 |
| C18H32O4 | 312.23006 | -0.115 | 8R,11S-dihydroxy-9Z,12Z-octadecadienoic acid | LipidMAPS: LMFA02000064 |
| C18H32O4 | 312.23006 | -0.115 | 11-hydroxy-9,10-epoxy-(12Z)-octadecenoate | LipidMAPS: LMFA02000277, LMFA02000407 |
| C18H32O4 | 312.23006 | -0.115 | 8(R)-HPODE | HMDB: HMDB0004706 KEGG: C14831 LipidMAPS: LMFA02000103, LMFA02000113 |
| C18H32O4 | 312.23006 | -0.115 | 12,13-Epoxy-9-hydroxy-10-octadecenoate | KEGG: C14832 LipidMAPS: LMFA02000013, LMFA02000158 |
| C18H32O4 | 312.23006 | -0.115 | Octadec-9-ene-1,18-dioic-acid | KEGG: C19618 KNApSAcK: C00007585 LipidMAPS: LMFA01170055 |
| C18H32O4 | 312.23006 | -0.115 | 2-(2Z-octenyl)-decane-1,10-dioic acid | LipidMAPS: LMFA01170141 |
| C18H32O4 | 312.23006 | -0.115 | 12-oxo-13-hydroxy-9-octadecenoic acid | LipidMAPS: LMFA02000017, LMFA02000250 |
| C18H32O4 | 312.23006 | -0.115 | 12,13-epoxy-11-hydroxy-9-octadecenoic acid | LipidMAPS: LMFA02000159, LMFA02000403 |
| C18H32O4 | 312.23006 | -0.115 | 5S,18-Dihydroxyoctadeca-6E,8Z-dienoic acid | LipidMAPS: LMFA02000397 |
| C18H32O4 | 312.23006 | -0.115 | 9,10-dioxo-octadecanoic acid | LipidMAPS: LMFA02000264 |
| C18H32O4 | 312.23006 | -0.115 | 14-hydroperoxy-9,12-octadecadienoic acid | LipidMAPS: LMFA02000104 |
| C18H32O4 | 312.23006 | -0.115 | (8E,10R,12Z)-10-Hydroperoxy-8,12-octadecadienoate | KEGG: C19937, C20703 LipidMAPS: LMFA02000101, LMFA02000285, LMFA02000286 |
| C18H32O4 | 312.23006 | -0.115 | 9,10-12,13-Diepoxyoctadecanoate | KEGG: C14836 |
| C18H32O4 | 312.23006 | -0.115 | (+/-)-12,13-dihydroxy-6Z,9Z-octadecadienoic acid | LipidMAPS: LMFA02000050 |
| C18H32O4 | 312.23006 | -0.115 | (+/-)-6,7-dihydroxy-9Z,12Z-octadecadienoic acid | LipidMAPS: LMFA02000048 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 327.25284 |
| Splash: splash10-0a4i-0079000000-09e4ad07cb1c4cdf3145 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 309.23 | 6119 | 18 | 1000 |
| 235.26 | 2136 | 92 | 349 |
| 217.25 | 1174 | 110 | 191 |
| 250.96 | 1043 | 76 | 170 |
| 249.19 | 449 | 78 | 73 |
| 253.00 | 360 | 74 | 58 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(none) | Dihydrochalcone | 2',4',6'-Trihydroxy-3'-prenyldihydrochalcone |
| 0.000 | [Flavone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | Millettocalyxin A |
| 0.000 | [Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavone | Milletenin C |
| 0.000 | [Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 7,8-Dimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OMe) | Flavone | Eucalyptin |
| 0.000 | [Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 5,7-Dimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Demethoxykanugin |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(none) | Flavonol | 3,5-Dimethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavan 3-ol]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavan 3-ol | Broussinol |
| 0.000 | [Isoflavone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Cuneatin methyl ether |
| 0.000 | [Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Fujikinetin methyl ether |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | 3',4'-Dimethoxy-6,7-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | Maximaisoflavone D |
| 0.000 | [Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | 7,8-Dimethoxy-3',4'-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Derrustone |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Isoflavone | Tlatlancuayin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Isoflavone | Irisolone methyl ether |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(2OH) | Isoflavan | Cyclomillinol |
| 0.000 | [Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Coumestan | 2-Hydroxyflemichapparin C |
| 0.000 | [Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Coumestan | Tephrosol |
| 0.000 | [Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Coumestan | Sophoracoumestan B |
| 0.000 | [6-Hydroxydehydrorotenone (6-OMe)]-A(2OH, 1Methyl)-B(none) | 6-Hydroxydehydrorotenone | Boeravinone A |
| 0.000 | [4-phenylcoumarin]-A(2OMe)-B(1([@@]-Methylenedioxy)) | 4-phenylcoumarin | 5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin |