ピーク情報
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こむぎ ［パン類］ 食パン
pos
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| Peak #6908 MN MID: SE112_S010261_M90 |
| m/z: 313.23716, RT: 61.95, 強度: 252105, ログ強度: 2.01, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 38 |
| 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: 0.050, 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 | -0.553 | (9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid | HMDB: HMDB0062281 KEGG: C07338 LipidMAPS: LMFA02000115 |
| C18H32O4 | 312.23006 | -0.553 | (7S,8S)-DiHODE | KEGG: C07354 KNApSAcK: C00000399 LipidMAPS: LMFA02000224 |
| C18H32O4 | 312.23006 | -0.553 | 15,16-DiHODE | HMDB: HMDB0010208 LipidMAPS: LMFA02000047 |
| C18H32O4 | 312.23006 | -0.553 | 9-Hydroxy-12-oxo-15(Z)-octadecenoic acid | KEGG: C21924 |
| C18H32O4 | 312.23006 | -0.553 | (±)-(E)-13-Hydroxy-10-oxo-11-octadecenoic acid | HMDB: HMDB0040900 LipidMAPS: LMFA02000249 |
| C18H32O4 | 312.23006 | -0.553 | 8,13-dihydroxy-9,11-octadecadienoic acid | LipidMAPS: LMFA02000166 |
| C18H32O4 | 312.23006 | -0.553 | (9R,12R,13S)-12,13-Dihydroxy-9,10-octadecadienoic acid | LipidMAPS: LMFA02000359 |
| C18H32O4 | 312.23006 | -0.553 | 12-hydroperoxy-9Z,13E-octadecadienoic acid | LipidMAPS: LMFA02000102 |
| C18H32O4 | 312.23006 | -0.553 | 18-Hydroperoxyoctadeca-2,4-dienoic acid | HMDB: HMDB0257631 |
| C18H32O4 | 312.23006 | -0.553 | 10,13-dihydroxyoctadeca-9Z,12Z-dienoic acid | LipidMAPS: LMFA02000357 |
| C18H32O4 | 312.23006 | -0.553 | octadecenedioate | HMDB: HMDB0304442 |
| C18H32O4 | 312.23006 | -0.553 | 9-oxo-13-hydroxy-11-octadecenoic acid | LipidMAPS: LMFA02000248 |
| C18H32O4 | 312.23006 | -0.553 | 9(S)-HPODE | HMDB: HMDB0006940, HMDB0062434, HMDB0242602, [-1]HMDB0303982 KEGG: C14827 KNApSAcK: C00000393 LipidMAPS: LMFA02000012, LMFA02000100, LMFA02000402 |
| C18H32O4 | 312.23006 | -0.553 | 9,14-dihydroxy-10,12-octadecadienoic acid | LipidMAPS: LMFA02000167 |
| C18H32O4 | 312.23006 | -0.553 | (+/-)-9,10-dihydroxy-6Z,12Z-octadecadienoic acid | LipidMAPS: LMFA02000049 |
| C18H32O4 | 312.23006 | -0.553 | 9,10-DiHODE | HMDB: HMDB0010221 LipidMAPS: LMFA02000045 |
| C18H32O4 | 312.23006 | -0.553 | 10,11-dihydroxyoctadeca-9E,12Z-dienoic acid | LipidMAPS: LMFA02000364 |
| C18H32O4 | 312.23006 | -0.553 | 10S,11S-epoxy-9S-hydroxy-12Z-octadecenoic acid | LipidMAPS: LMFA02000010 |
| C18H32O4 | 312.23006 | -0.553 | 9,10-Epoxy-13-hydroxy-11-octadecenoate | KEGG: C14834 LipidMAPS: LMFA02000278 |
| C18H32O4 | 312.23006 | -0.553 | 9-hydroxy-13-oxo-10-octadecenoic acid | LipidMAPS: LMFA02000172 |
| C18H32O4 | 312.23006 | -0.553 | 5S,8R-DiHODE | KEGG: C20186 LipidMAPS: LMFA02000284 |
| C18H32O4 | 312.23006 | -0.553 | 2-pentyl-4Z-tridecene-1,13-dioic acid | LipidMAPS: LMFA01170140 |
| C18H32O4 | 312.23006 | -0.553 | Dihydroxy-2-cyclopentene-1-tridecanoic acid | LipidMAPS: LMFA01140029 |
| C18H32O4 | 312.23006 | -0.553 | Hygrophorone A12 | KNApSAcK: C00050789 |
| C18H32O4 | 312.23006 | -0.553 | 9-hydroxy-10-oxo-12-octadecenoic acid | LipidMAPS: LMFA02000009, LMFA02000170 |
| C18H32O4 | 312.23006 | -0.553 | 9-hydroxy-12-oxo-10-octadecenoic acid | LipidMAPS: LMFA02000171 |
| C18H32O4 | 312.23006 | -0.553 | 13,16-Epoxy-12-hydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA03000024 |
| C18H32O4 | 312.23006 | -0.553 | (9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid | HMDB: HMDB0003871, HMDB0062637 KEGG: C04717 KNApSAcK: C00000394 LipidMAPS: LMFA02000034, LMFA02000099, LMFA02000329 |
| C18H32O4 | 312.23006 | -0.553 | 12,13-DiHODE | HMDB: HMDB0010201 LipidMAPS: LMFA02000046 |
| C18H32O4 | 312.23006 | -0.553 | 8R,11S-dihydroxy-9Z,12Z-octadecadienoic acid | LipidMAPS: LMFA02000064 |
| C18H32O4 | 312.23006 | -0.553 | 11-hydroxy-9,10-epoxy-(12Z)-octadecenoate | LipidMAPS: LMFA02000277, LMFA02000407 |
| C18H32O4 | 312.23006 | -0.553 | 8(R)-HPODE | HMDB: HMDB0004706 KEGG: C14831 LipidMAPS: LMFA02000103, LMFA02000113 |
| C18H32O4 | 312.23006 | -0.553 | 12,13-Epoxy-9-hydroxy-10-octadecenoate | KEGG: C14832 LipidMAPS: LMFA02000013, LMFA02000158 |
| C18H32O4 | 312.23006 | -0.553 | Octadec-9-ene-1,18-dioic-acid | KEGG: C19618 KNApSAcK: C00007585 LipidMAPS: LMFA01170055 |
| C18H32O4 | 312.23006 | -0.553 | 2-(2Z-octenyl)-decane-1,10-dioic acid | LipidMAPS: LMFA01170141 |
| C18H32O4 | 312.23006 | -0.553 | 12-oxo-13-hydroxy-9-octadecenoic acid | LipidMAPS: LMFA02000017, LMFA02000250 |
| C18H32O4 | 312.23006 | -0.553 | 12,13-epoxy-11-hydroxy-9-octadecenoic acid | LipidMAPS: LMFA02000159, LMFA02000403 |
| C18H32O4 | 312.23006 | -0.553 | 5S,18-Dihydroxyoctadeca-6E,8Z-dienoic acid | LipidMAPS: LMFA02000397 |
| C18H32O4 | 312.23006 | -0.553 | 9,10-dioxo-octadecanoic acid | LipidMAPS: LMFA02000264 |
| C18H32O4 | 312.23006 | -0.553 | 14-hydroperoxy-9,12-octadecadienoic acid | LipidMAPS: LMFA02000104 |
| C18H32O4 | 312.23006 | -0.553 | (8E,10R,12Z)-10-Hydroperoxy-8,12-octadecadienoate | KEGG: C19937, C20703 LipidMAPS: LMFA02000101, LMFA02000285, LMFA02000286 |
| C18H32O4 | 312.23006 | -0.553 | 9,10-12,13-Diepoxyoctadecanoate | KEGG: C14836 |
| C18H32O4 | 312.23006 | -0.553 | (+/-)-12,13-dihydroxy-6Z,9Z-octadecadienoic acid | LipidMAPS: LMFA02000050 |
| C18H32O4 | 312.23006 | -0.553 | (+/-)-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: 313.23712 |
| Splash: splash10-0002-0090000000-371d01ea2c904603595f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 295.12 | 16996 | 18 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.050 | [Isoflavone]-A(1OMe)-B(2OMe) | Isoflavone | Cabreuvin |
| 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 | [Coumestan]-A(1OH)-B(2OMe) | Coumestan | 3-Hydroxy-8,9-dimethoxycoumestan |
| 0.000 | [Coumestan]-A(1OH)-B(2OMe) | Coumestan | Wairol |
| 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 |
| Level: 3, プリカーサーm/z: 295.12177 |
| Splash: splash10-004i-0090000000-659d91b5d7e14944c2e9 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 277.23 | 4467 | 18 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Auronol (2-OMe)]-A(1([2,3:@@]-Furano))-B(none) | Auronol | Castillene A |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1Oxo, 1([2,3:@@]-Furano))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | Pongamol |
| 0.000 | [Flavanone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Flavanone | 6-Methoxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none) | Dihydroflavonol | 3-Methoxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [2-substituted Isoflavone (2-Methyl)]-A(1OH, 1Acetyl)-B(none) | 2-substituted Isoflavone | Glyzarin |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OMe) | Pterocarpan | 9-O-Methylneodunol |