ピーク情報
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こむぎ ［パン類］ 食パン
pos
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| Peak #6781 MN MID: SE112_S010261_M90 |
| m/z: 293.21103, RT: 59.32, 強度: 20320, ログ強度: 0.92, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 23 |
| DB検索結果: (40 names) 6-Methylgingediol;9,10-epoxy-13-oxo-11-octadecenoic acid;16-hydroperoxy-9Z,12,14E-octadecatrienoic acid;7S,8S-dihydroxy-9Z,12Z,15Z-octadecatrienoic acid;10-[(1S,3R,4R,6S,7S)-3-ethyl-6-hydroxy-2-oxabic... |
| DBごとのヒット数: ALL 34 KG 7 KN 6 HM 4 LM 17 |
| 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 |
|---|---|---|---|---|
| C18H30O4 | 310.21441 | -0.292 | 6-Methylgingediol | HMDB: HMDB0303099 |
| C18H30O4 | 310.21441 | -0.292 | 7-(5S-hydroxy-2-oxo-2-pentylcyclohex-1-en-yl)heptanoic acid | LipidMAPS: LMFA02000410, LMFA02000411 |
| C18H30O4 | 310.21441 | -0.292 | 9,10-epoxy-13-oxo-11-octadecenoic acid | LipidMAPS: LMFA02000279 |
| C18H30O4 | 310.21441 | -0.292 | 16-hydroperoxy-9Z,12,14E-octadecatrienoic acid | LipidMAPS: LMFA02000111 |
| C18H30O4 | 310.21441 | -0.292 | (9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid | KEGG: C07357 LipidMAPS: LMFA02000226 |
| C18H30O4 | 310.21441 | -0.292 | 10-[(1S,3R,4R,6S,7S)-3-ethyl-6-hydroxy-2-oxabicyclo[2.2.1]hept-7-yl]dec-9Z-enoic acid | LipidMAPS: LMFA02000387 |
| C18H30O4 | 310.21441 | -0.292 | 10-[(1R,2S,3S,5S)-3-(1-hydroxypropyl)-6-oxabicyclo[3.1.0]hex-2-yl]dec-9Z-enoic acid | LipidMAPS: LMFA02000386 |
| C18H30O4 | 310.21441 | -0.292 | 9S-hydroxy-10S,11S-epoxy-12Z,15Z-octadecadienoic acid | LipidMAPS: LMFA02000019 |
| C18H30O4 | 310.21441 | -0.292 | Gallicynoic acid D | KNApSAcK: C00039249 LipidMAPS: LMFA01050578 |
| C18H30O4 | 310.21441 | -0.292 | Porrigenic acid | KNApSAcK: C00031076 LipidMAPS: LMFA01060225 |
| C18H30O4 | 310.21441 | -0.292 | 11-oxo-(12,13)-epoxy-(9Z)-octadecenoic acid | LipidMAPS: LMFA02000404 |
| C18H30O4 | 310.21441 | -0.292 | 2-(2Z-octentyl)-4Z-decene-1,10-dioic acid | LipidMAPS: LMFA01170144 |
| C18H30O4 | 310.21441 | -0.292 | 9(S)-HPOT | KEGG: C16321, C19936 LipidMAPS: LMFA02000018, LMFA02000108 |
| C18H30O4 | 310.21441 | -0.292 | 18-hydroxy-5-oxo-octadeca-6E,8Z-dienoic acid | LipidMAPS: LMFA02000396 |
| C18H30O4 | 310.21441 | -0.292 | 13(S)-HPOT | HMDB: HMDB0301803 KEGG: C04785 KNApSAcK: C00000364, C00000389 LipidMAPS: LMFA02000052, LMFA02000110 |
| C18H30O4 | 310.21441 | -0.292 | Hygrophorone C12 | KNApSAcK: C00050792, C00050793 |
| C18H30O4 | 310.21441 | -0.292 | 12,17 | LipidMAPS: LMFA03000023 |
| C18H30O4 | 310.21441 | -0.292 | 9-Hydroxy-12-oxo-10(E),15(Z)-octadecadienoic acid | KEGG: C21923 |
| C18H30O4 | 310.21441 | -0.292 | Dihydroalbocycline | KEGG: C15753 KNApSAcK: C00016029 |
| C18H30O4 | 310.21441 | -0.292 | (9Z,11E,14Z)-(13S)-hydroperoxyoctadeca-(9,11,14)-trienoate | HMDB: [-1]HMDB0303985 LipidMAPS: LMFA02000114 |
| C18H30O4 | 310.21441 | -0.292 | 2-(2Z,5Z-octadienyl)-decane-1,10-dioic acid | LipidMAPS: LMFA01170142 |
| C18H30O4 | 310.21441 | -0.292 | (8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate | KEGG: C20704 |
| C18H30O4 | 310.21441 | -0.292 | 13S-hydroperoxy-6Z,9Z,11E-octadecatrienoic acid | LipidMAPS: LMFA02000112 |
| C18H30O4 | 310.21441 | -0.292 | Auxin b | HMDB: HMDB0038484 |
| C18H30O4 | 310.21441 | -0.292 | 6,9-Octadecadienedioic acid | KNApSAcK: C00007431 |
| C18H30O4 | 310.21441 | -0.292 | 8-((1R,2S)-2-((S,E)-3-hydroxypent-1-en-1-yl)-3-oxocyclopentyl)octanoic acid | LipidMAPS: LMFA02030027, LMFA02030028 |
| C18H30O4 | 310.21441 | -0.292 | 9-hydroxy-10-oxo-12(Z),15(Z)-octadecadienoic acid | LipidMAPS: LMFA02000393 |
| C18H30O4 | 310.21441 | -0.292 | 12-oxo-9R-hydroxy-10E-octadecen-13R-olide | LipidMAPS: LMFA07040156 |
| C18H30O4 | 310.21441 | -0.292 | 2-(2Z-pentyl)-4Z-tridecene-1,13-dioic acid | LipidMAPS: LMFA01170143 |
| C18H30O4 | 310.21441 | -0.292 | 8-(2-butyl-6R-hydroxy-3-oxocyclohex-1-en-yl)octanoic acid | LipidMAPS: LMFA02000408, LMFA02000409 |
| C18H30O4 | 310.21441 | -0.292 | Sterebin A | HMDB: HMDB0035337 KNApSAcK: C00023382 |
| C18H30O4 | 310.21441 | -0.292 | 12(13)Ep-9-KODE | HMDB: HMDB0013623, HMDB0246689 LipidMAPS: LMFA02000247 |
| C18H30O4 | 310.21441 | -0.292 | (11R,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid | HMDB: HMDB0033505, HMDB0302824, HMDB0302825 |
| C18H30O4 | 310.21441 | -0.292 | 13R-hydroxy-8-oxo-octadeca-9E,11E-dienoic acid | LipidMAPS: LMFA02000390 |
| C18H30O4 | 310.21441 | -0.292 | 15,16-epoxy-13-OH-9Z,11E-octadecadienoic acid | LipidMAPS: LMFA02000030 |
| C18H30O4 | 310.21441 | -0.292 | 2(R)-HPOT | KEGG: C16341 |
| C18H30O4 | 310.21441 | -0.292 | 12-hydroperoxy-9Z,13E,15-octadecatrienoic acid | LipidMAPS: LMFA02000109 |
| C18H30O4 | 310.21441 | -0.292 | 12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid | KNApSAcK: C00000390 LipidMAPS: LMFA02000020 |
| C18H30O4 | 310.21441 | -0.292 | Octadeca-2,4-dienedioic acid | HMDB: HMDB0242188 |
| C18H30O4 | 310.21441 | -0.292 | 11-oxo-9,10-epoxy-(12Z)-octadecenoate | LipidMAPS: LMFA02000406 |
| C18H30O4 | 310.21441 | -0.292 | 11R,12R-epoxy-8-oxo-9E-octadecenoic acid | LipidMAPS: LMFA02000389 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 293.21082 |
| Splash: splash10-004i-0090000000-1825d25a191b44954322 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 275.23 | 21752 | 18 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Aurone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Aurone | 4-Methoxyfurano[2'',3'':6,7]aurone |
| 0.000 | [2-(alpha-oxobenzyl)benzofuran (3-OMe)]-A(1([2,3:@@]-Furano))-B(none) | 2-(alpha-oxobenzyl)benzofuran | Derriobtusone A |
| 0.000 | [alpha-substituted Chalcone (alpha-Methyl)]-A(1OMe, 1Methyl, 1([2,3:@@]-Furano))-B(none) | alpha-substituted Chalcone | Purpuritenin B |
| 0.000 | [Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1Methyl) | Chalcone | Purpuritenin A |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavone | 2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavone | Pongone |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavone | Cauliflorin A |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavone | Glabone |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavone | 2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Flavone | Kanjone |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Flavone | 9-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Flavone | Pinnatin |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none) | Flavonol | Karanjin |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none) | Flavonol | Ponganone XI |
| Level: 3, プリカーサーm/z: 275.23010 |
| Splash: splash10-0a4i-0390000000-920eee5a097a19b7f8ac |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 257.28 | 3420 | 18 | 1000 |
| 239.28 | 1184 | 36 | 346 |
| 247.16 | 780 | 28 | 228 |
| 229.20 | 609 | 46 | 178 |
| 146.95 | 524 | 128 | 153 |
| 161.08 | 434 | 114 | 126 |
| 159.11 | 409 | 116 | 119 |
| 173.08 | 396 | 102 | 115 |
| 145.10 | 312 | 130 | 91 |
| 133.04 | 308 | 142 | 90 |
| 215.20 | 272 | 60 | 79 |
| 201.16 | 228 | 74 | 66 |
| 187.07 | 195 | 88 | 56 |
| 171.09 | 188 | 104 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.056 | [Flavan 3-ol]-A(2OH)-B(1OH) | Flavan 3-ol | Afzelechin |
| 0.056 | [Flavan 3-ol]-A(1OH)-B(2OH) | Flavan 3-ol | Fisetinidol |
| 0.000 | [Dihydrochalcone]-A(3OH)-B(1OH) | Dihydrochalcone | Phloretin |
| 0.000 | [Auronol]-A(none)-B(1Cl) | Auronol | 4'-Chloro-2-hydroxyaurone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(1OH) | Dihydrochalcone alpha-ol | 4,2',4',alpha-Tetrahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OH)-B(1OH) | Dihydrochalcone beta-ol | 4,2',4',beta-Tetrahydroxydihydrochalcone |
| 0.000 | [Flavan 4-ol]-A(2OH)-B(1OH) | Flavan 4-ol | Apifero |
| 0.000 | [Flavan 3,4-diol]-A(1OH)-B(1OH) | Flavan 3,4-diol | 3,4,7,4'-Tetrahydroxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(2OH) | Flavan | 5,7,3',4'-Tetrahydroxyflavan |
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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