ピーク情報
|
はつか大根 葉
pos
|
| Peak #10074 MN MID: SE202_S21_M90 |
| m/z: 293.21114, RT: 86.66, 強度: 59702, ログ強度: 1.32, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 6 |
| 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: 0.050 |
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 | 0.054 | 12,13-epoxy-10E,15Z-octadecadien-9-olide | LipidMAPS: LMFA07040153 |
| C18H28O3 | 292.20384 | 0.054 | 7-Hydroxy-octadeca-7Z,9Z-dien-5-ynoic acid | LipidMAPS: LMFA01031262 |
| C18H28O3 | 292.20384 | 0.054 | Colnelenic acid | HMDB: HMDB0030996 KEGG: C16320 KNApSAcK: C00000448 LipidMAPS: LMFA10000002, LMFA10000017 |
| C18H28O3 | 292.20384 | 0.054 | Ketochabrolic acid | KNApSAcK: C00030533, C00030607 |
| C18H28O3 | 292.20384 | 0.054 | Methyl [6]-paradol | HMDB: HMDB0302136 KNApSAcK: C00035687 |
| C18H28O3 | 292.20384 | 0.054 | 17beta-Hydroxy-2-oxa-5alpha-androstan-3-one | KEGG: C14911 |
| C18H28O3 | 292.20384 | 0.054 | 13S-hydroxy-6Z,9Z,11E,15Z-octadecatetraenoic acid | LipidMAPS: LMFA02000373 |
| C18H28O3 | 292.20384 | 0.054 | 4-oxo-2E,9E,17-octadecatrienoic acid | LipidMAPS: LMFA02000365 |
| C18H28O3 | 292.20384 | 0.054 | 9-oxo-10E,12Z,15Z-octadecatrienoic acid | LipidMAPS: LMFA02000371 |
| C18H28O3 | 292.20384 | 0.054 | 4-oxo-2E,11Z,17-octadecatrienoic acid | LipidMAPS: LMFA02000366 |
| C18H28O3 | 292.20384 | 0.054 | [7]-Paradol | HMDB: HMDB0040806 KNApSAcK: C00035032 |
| C18H28O3 | 292.20384 | 0.054 | 2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane | KNApSAcK: C00021112 |
| C18H28O3 | 292.20384 | 0.054 | 13-keto-9Z,11E,15Z-octadecatrienoic acid | LipidMAPS: LMFA02000028 |
| C18H28O3 | 292.20384 | 0.054 | (-)-8-hydroxy-11E,17-octadecadien-9-ynoic acid | LipidMAPS: LMFA02000191 |
| C18H28O3 | 292.20384 | 0.054 | (9S,13S,15Z)-12-Oxophyto-10,15-dienoate | HMDB: HMDB0301804, HMDB0302724, [-1]HMDB0304018 KEGG: C01226, C13816 KNApSAcK: C00000365 LipidMAPS: LMFA02010001 |
| C18H28O3 | 292.20384 | 0.054 | 14,15-Dinor-13-oxo-7-labden-17-oic acid | KNApSAcK: C00023388 |
| C18H28O3 | 292.20384 | 0.054 | Panaquinquecol 1 | HMDB: HMDB0038035 LipidMAPS: LMFA05000686 |
| C18H28O3 | 292.20384 | 0.054 | 10-OPDA | KEGG: C16325 |
| C18H28O3 | 292.20384 | 0.054 | 8-hydroxy-10,12-octadecadiynoic acid | LipidMAPS: LMFA02000194 |
| C18H28O3 | 292.20384 | 0.054 | alpha-Licanic acid | KEGG: C08319 KNApSAcK: C00001222 LipidMAPS: LMFA02000273, LMFA02000297 |
| C18H28O3 | 292.20384 | 0.054 | 13-(3-oxo-1-cyclopentenyl)-4E-tridecenoic acid | LipidMAPS: LMFA01140104 |
| C18H28O3 | 292.20384 | 0.054 | 8-hydroxy-9,11-octadecadiynoic acid | LipidMAPS: LMFA02000193 |
| C18H28O3 | 292.20384 | 0.054 | 6-Hydroxyoctadeca-7,9-diynoic acid | LipidMAPS: LMFA01031024 |
| C18H28O3 | 292.20384 | 0.054 | (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 | 0.054 | (9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid | HMDB: [-1]HMDB0304017 KEGG: C04672 KNApSAcK: C00000363 LipidMAPS: LMFA02000053 |
| C18H28O3 | 292.20384 | 0.054 | Etherolenic acid | KEGG: C16319 LipidMAPS: LMFA10000007, LMFA10000009, LMFA10000003 |
| C18H28O3 | 292.20384 | 0.054 | 12-Oxo-9Z,13Z,15Z-octadecatrienoic acid | LipidMAPS: LMFA02000310 |
| C18H28O3 | 292.20384 | 0.054 | 8-[3-oxo-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoic acid | LipidMAPS: LMFA02010020 |
| C18H28O3 | 292.20384 | 0.054 | 9-hydroxy-10E,14Z-octadecadien-12-ynoic acid | LipidMAPS: LMFA02000192 |
| C18H28O3 | 292.20384 | 0.054 | 9,10-EOT | KEGG: C16324 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 293.21088 |
| Splash: splash10-004i-0190000000-ee27cb4fcdf52015968c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 275.21 | 46747 | 18 | 1000 |
| 171.05 | 6447 | 122 | 137 |
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: 275.18542 |
| Splash: splash10-0a4i-0690000000-5b022d265f9cfb745533 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 257.18 | 8972 | 18 | 1000 |
| 149.03 | 1810 | 126 | 201 |
| 239.21 | 1589 | 36 | 177 |
| 229.19 | 1434 | 46 | 159 |
| 159.02 | 1329 | 116 | 148 |
| 215.25 | 1253 | 60 | 139 |
| 147.05 | 1032 | 128 | 115 |
| 161.03 | 966 | 114 | 107 |
| 173.05 | 955 | 102 | 106 |
| 133.08 | 817 | 142 | 91 |
| 145.08 | 678 | 130 | 75 |
| 119.02 | 547 | 156 | 60 |
| 121.04 | 536 | 154 | 59 |
| 169.11 | 513 | 106 | 57 |
| 152.98 | 468 | 122 | 52 |
| 183.07 | 458 | 92 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.105 | [Flavan 3-ol]-A(2OH)-B(1OH) | Flavan 3-ol | Afzelechin |
| 0.056 | [Dihydrochalcone]-A(3OH)-B(1OH) | Dihydrochalcone | Phloretin |
| 0.050 | [Flavan 3-ol]-A(1OH)-B(2OH) | Flavan 3-ol | Fisetinidol |
| 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 |