ピーク情報
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こむぎ ［パン類］ 食パン
pos
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| Peak #7248 MN MID: SE112_S010261_M90 |
| m/z: 293.21113, RT: 71.53, 強度: 6126, ログ強度: 0.40, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 11 |
| DB検索結果: (32 names) 12,13-epoxy-10E,15Z-octadecadien-9-olide;7-Hydroxy-octadeca-7Z,9Z-dien-5-ynoic acid;Colnelenic acid;Ketochabrolic acid;17beta-Hydroxy-2-oxa-5alpha-androstan-3-one;Methyl [6]-paradol;13S-hydroxy-6Z,9Z,... |
| DBごとのヒット数: ALL 27 KG 8 KN 5 LM 14 |
| 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 |
|---|---|---|---|---|
| C18H28O3 | 292.20384 | 0.019 | 12,13-epoxy-10E,15Z-octadecadien-9-olide | LipidMAPS: LMFA07040153 |
| C18H28O3 | 292.20384 | 0.019 | 7-Hydroxy-octadeca-7Z,9Z-dien-5-ynoic acid | LipidMAPS: LMFA01031262 |
| C18H28O3 | 292.20384 | 0.019 | Colnelenic acid | HMDB: HMDB0030996 KEGG: C16320 KNApSAcK: C00000448 LipidMAPS: LMFA10000002, LMFA10000017 |
| C18H28O3 | 292.20384 | 0.019 | Ketochabrolic acid | KNApSAcK: C00030533, C00030607 |
| C18H28O3 | 292.20384 | 0.019 | Methyl [6]-paradol | HMDB: HMDB0302136 KNApSAcK: C00035687 |
| C18H28O3 | 292.20384 | 0.019 | 17beta-Hydroxy-2-oxa-5alpha-androstan-3-one | KEGG: C14911 |
| C18H28O3 | 292.20384 | 0.019 | 13S-hydroxy-6Z,9Z,11E,15Z-octadecatetraenoic acid | LipidMAPS: LMFA02000373 |
| C18H28O3 | 292.20384 | 0.019 | 4-oxo-2E,9E,17-octadecatrienoic acid | LipidMAPS: LMFA02000365 |
| C18H28O3 | 292.20384 | 0.019 | 9-oxo-10E,12Z,15Z-octadecatrienoic acid | LipidMAPS: LMFA02000371 |
| C18H28O3 | 292.20384 | 0.019 | 4-oxo-2E,11Z,17-octadecatrienoic acid | LipidMAPS: LMFA02000366 |
| C18H28O3 | 292.20384 | 0.019 | [7]-Paradol | HMDB: HMDB0040806 KNApSAcK: C00035032 |
| C18H28O3 | 292.20384 | 0.019 | 2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane | KNApSAcK: C00021112 |
| C18H28O3 | 292.20384 | 0.019 | 13-keto-9Z,11E,15Z-octadecatrienoic acid | LipidMAPS: LMFA02000028 |
| C18H28O3 | 292.20384 | 0.019 | (-)-8-hydroxy-11E,17-octadecadien-9-ynoic acid | LipidMAPS: LMFA02000191 |
| C18H28O3 | 292.20384 | 0.019 | (9S,13S,15Z)-12-Oxophyto-10,15-dienoate | HMDB: HMDB0301804, HMDB0302724, [-1]HMDB0304018 KEGG: C01226, C13816 KNApSAcK: C00000365 LipidMAPS: LMFA02010001 |
| C18H28O3 | 292.20384 | 0.019 | 14,15-Dinor-13-oxo-7-labden-17-oic acid | KNApSAcK: C00023388 |
| C18H28O3 | 292.20384 | 0.019 | Panaquinquecol 1 | HMDB: HMDB0038035 LipidMAPS: LMFA05000686 |
| C18H28O3 | 292.20384 | 0.019 | 10-OPDA | KEGG: C16325 |
| C18H28O3 | 292.20384 | 0.019 | 8-hydroxy-10,12-octadecadiynoic acid | LipidMAPS: LMFA02000194 |
| C18H28O3 | 292.20384 | 0.019 | alpha-Licanic acid | KEGG: C08319 KNApSAcK: C00001222 LipidMAPS: LMFA02000273, LMFA02000297 |
| C18H28O3 | 292.20384 | 0.019 | 13-(3-oxo-1-cyclopentenyl)-4E-tridecenoic acid | LipidMAPS: LMFA01140104 |
| C18H28O3 | 292.20384 | 0.019 | 8-hydroxy-9,11-octadecadiynoic acid | LipidMAPS: LMFA02000193 |
| C18H28O3 | 292.20384 | 0.019 | 6-Hydroxyoctadeca-7,9-diynoic acid | LipidMAPS: LMFA01031024 |
| C18H28O3 | 292.20384 | 0.019 | (9Z)-10-{(1'R,2'S,3'S,5'S)-3-[(1''E)-prop-1''-en-1''-yl]-6'-oxabicyclo[3.1.0]hex-2'-yl}dec-9-enoic acid | LipidMAPS: LMFA02000392 |
| C18H28O3 | 292.20384 | 0.019 | (9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid | HMDB: [-1]HMDB0304017 KEGG: C04672 KNApSAcK: C00000363 LipidMAPS: LMFA02000053 |
| C18H28O3 | 292.20384 | 0.019 | Etherolenic acid | KEGG: C16319 LipidMAPS: LMFA10000007, LMFA10000009, LMFA10000003 |
| C18H28O3 | 292.20384 | 0.019 | 12-Oxo-9Z,13Z,15Z-octadecatrienoic acid | LipidMAPS: LMFA02000310 |
| C18H28O3 | 292.20384 | 0.019 | 8-[3-oxo-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoic acid | LipidMAPS: LMFA02010020 |
| C18H28O3 | 292.20384 | 0.019 | 9-hydroxy-10E,14Z-octadecadien-12-ynoic acid | LipidMAPS: LMFA02000192 |
| C18H28O3 | 292.20384 | 0.019 | 9,10-EOT | KEGG: C16324 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 293.21072 |
| Splash: splash10-004i-0090000000-17c8fe2709e781ffbd7f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 275.23 | 3545 | 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: 275.23187 |
| Splash: splash10-0a4i-0490000000-4337414e607d236bedbb |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 257.23 | 393 | 18 | 1000 |
| 219.13 | 214 | 56 | 545 |
| 239.15 | 142 | 36 | 361 |
| 159.07 | 138 | 116 | 352 |
| 146.95 | 70 | 128 | 177 |
| 145.04 | 60 | 130 | 152 |
| 229.21 | 51 | 46 | 128 |
| 173.09 | 43 | 102 | 109 |
| 247.15 | 42 | 28 | 107 |
| 161.09 | 39 | 114 | 98 |
| 171.13 | 36 | 104 | 91 |
| 201.03 | 30 | 74 | 77 |
| 157.03 | 22 | 118 | 55 |
| 197.19 | 20 | 78 | 51 |
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 |