ピーク情報
|
＜牛乳及び乳製品＞（チーズ類） ナチュラルチーズ チェダー
pos
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| Peak #15872 MN MID: SE120_S130371_M90 |
| m/z: 281.24761, RT: 102.66, 強度: 1453, ログ強度: -1.17, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 22 |
| DB検索結果: (83 names) 10E,14E-octadecadienoic acid;10,13-Octadecadienoic acid;13E,17-octadecadienoic acid;5,7S-methyl-2E,4E-hexadecadienoic acid;5,10-octadecadienoic acid;11Z,14E-Hexadecadienyl acetate;7E,9Z-octadecadienoi... |
| DBごとのヒット数: ALL 83 KG 5 KN 3 HM 3 LM 72 |
| 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 |
|---|---|---|---|---|
| C18H32O2 | 280.24023 | 0.378 | 10E,14E-octadecadienoic acid | LipidMAPS: LMFA01030297, LMFA01030298 |
| C18H32O2 | 280.24023 | 0.378 | 10,13-Octadecadienoic acid | LipidMAPS: LMFA01030127, LMFA01031105 |
| C18H32O2 | 280.24023 | 0.378 | 13E,17-octadecadienoic acid | LipidMAPS: LMFA01030303 |
| C18H32O2 | 280.24023 | 0.378 | 5,7S-methyl-2E,4E-hexadecadienoic acid | LipidMAPS: LMFA01020377 |
| C18H32O2 | 280.24023 | 0.378 | 5,10-octadecadienoic acid | LipidMAPS: LMFA01030318 |
| C18H32O2 | 280.24023 | 0.378 | 11Z,14E-Hexadecadienyl acetate | LipidMAPS: LMFA07010372 |
| C18H32O2 | 280.24023 | 0.378 | 7E,9Z-octadecadienoic acid | LipidMAPS: LMFA01030812 |
| C18H32O2 | 280.24023 | 0.378 | 6E,12E-octadecadienoic acid | LipidMAPS: LMFA01030329 |
| C18H32O2 | 280.24023 | 0.378 | Ethyl (Z,Z)-11,13-hexadecadienoate | LipidMAPS: LMFA07010564 |
| C18H32O2 | 280.24023 | 0.378 | 14-octadecynoic acid | LipidMAPS: LMFA01030572 |
| C18H32O2 | 280.24023 | 0.378 | (E)-3,7-Dimethyl-2,6-octadienyl octanoate | LipidMAPS: LMFA07010620, LMFA07010628 |
| C18H32O2 | 280.24023 | 0.378 | Stearolic acid | KEGG: C08459 KNApSAcK: C00001293 LipidMAPS: LMFA01030455 |
| C18H32O2 | 280.24023 | 0.378 | 16-methyl-9Z,12Z-heptadecadienoic acid | LipidMAPS: LMFA01020208 |
| C18H32O2 | 280.24023 | 0.378 | 12Z,15Z-octadecadienoic acid | LipidMAPS: LMFA01030302 |
| C18H32O2 | 280.24023 | 0.378 | 11Z,14Z-octadecadienoic acid | LipidMAPS: LMFA01030299 |
| C18H32O2 | 280.24023 | 0.378 | 12-octadecynoic acid | LipidMAPS: LMFA01030570 |
| C18H32O2 | 280.24023 | 0.378 | 8,11-octadecadienoic acid | LipidMAPS: LMFA01030116, LMFA01030336 |
| C18H32O2 | 280.24023 | 0.378 | 11-Hexadecynyl acetate | LipidMAPS: LMFA07010377 |
| C18H32O2 | 280.24023 | 0.378 | 5E,9Z-octadecadienoic acid | LipidMAPS: LMFA01030321, LMFA01030324, LMFA01030325 |
| C18H32O2 | 280.24023 | 0.378 | 6-octadecynoic acid | KNApSAcK: C00044476 LipidMAPS: LMFA01030453 |
| C18H32O2 | 280.24023 | 0.378 | trans-11,cis-15-Octadecadienoic acid | HMDB: HMDB0304773 LipidMAPS: LMFA01030300, LMFA02000300 |
| C18H32O2 | 280.24023 | 0.378 | Bovinic acid | HMDB: HMDB0003797, HMDB0005047, HMDB0247620 KEGG: C04056 KNApSAcK: C00052217, C00053367 LipidMAPS: LMFA01030117, LMFA01030118, LMFA01030119, LMFA02000307 |
| C18H32O2 | 280.24023 | 0.378 | 4Z,11Z-octadecadienoic acid | LipidMAPS: LMFA01031168 |
| C18H32O2 | 280.24023 | 0.378 | 16-octadecynoic acid | LipidMAPS: LMFA01030574 |
| C18H32O2 | 280.24023 | 0.378 | 7-octadecynoic acid | HMDB: HMDB0247278 LipidMAPS: LMFA01030567 |
| C18H32O2 | 280.24023 | 0.378 | 2-octadecynoic acid | LipidMAPS: LMFA01030563 |
| C18H32O2 | 280.24023 | 0.378 | 8-octadecynoic acid | LipidMAPS: LMFA01030454 |
| C18H32O2 | 280.24023 | 0.378 | 11E,13Z-Octadecadienoic acid | LipidMAPS: LMFA01031279 |
| C18H32O2 | 280.24023 | 0.378 | 8Z,10Z-Hexadecadienyl acetate | LipidMAPS: LMFA07010376 |
| C18H32O2 | 280.24023 | 0.378 | 14,17-Octadecadienoic acid | LipidMAPS: LMFA01030305, LMFA01031102 |
| C18H32O2 | 280.24023 | 0.378 | 5,6-octadecadienoic acid | LipidMAPS: LMFA01030320, LMFA01030774, LMFA01030914 |
| C18H32O2 | 280.24023 | 0.378 | 5Z,12Z-octadecadienoic acid | LipidMAPS: LMFA01030110, LMFA01030111, LMFA01030112, LMFA01030113 |
| C18H32O2 | 280.24023 | 0.378 | 3Z,9Z-Octadecadienoic acid | LipidMAPS: LMFA02000324 |
| C18H32O2 | 280.24023 | 0.378 | Chaulmoogric acid | KEGG: C08282 KNApSAcK: C00001212 LipidMAPS: LMFA01140017, LMFA01140055 |
| C18H32O2 | 280.24023 | 0.378 | 4E,6Z-Hexadecadienyl acetate | LipidMAPS: LMFA07010357 |
| C18H32O2 | 280.24023 | 0.378 | 9E,11Z-Hexadecadienyl acetate | LipidMAPS: LMFA07010359 |
| C18H32O2 | 280.24023 | 0.378 | 3E,7E-octadecadienoic acid | LipidMAPS: LMFA01030310, LMFA01030313 |
| C18H32O2 | 280.24023 | 0.378 | 3Z,6Z-octadecadienoic acid | LipidMAPS: LMFA01030312 |
| C18H32O2 | 280.24023 | 0.378 | 7,10-Octadecadienoic acid | LipidMAPS: LMFA01030334, LMFA01031096 |
| C18H32O2 | 280.24023 | 0.378 | 5Z,8Z-octadecadienoic acid | LipidMAPS: LMFA01030323 |
| C18H32O2 | 280.24023 | 0.378 | 7E,12E-octadecadienoic acid | LipidMAPS: LMFA01030333 |
| C18H32O2 | 280.24023 | 0.378 | 8Z,15Z-octadecadienoic acid | LipidMAPS: LMFA01031362 |
| C18H32O2 | 280.24023 | 0.378 | 6E,11Z-Hexadecadienyl acetate | LipidMAPS: LMFA07010358 |
| C18H32O2 | 280.24023 | 0.378 | 9Z-octadecen-18-olide | LipidMAPS: LMFA07040090 |
| C18H32O2 | 280.24023 | 0.378 | 6E,10E-octadecadienoic acid | LipidMAPS: LMFA01030327 |
| C18H32O2 | 280.24023 | 0.378 | 13,16-Octadecadienoic acid | LipidMAPS: LMFA01030304, LMFA01031083 |
| C18H32O2 | 280.24023 | 0.378 | 12E,16E-octadecadienoic acid | LipidMAPS: LMFA01030301 |
| C18H32O2 | 280.24023 | 0.378 | Micromolide | KNApSAcK: C00051602 LipidMAPS: LMFA07040057, LMFA07040064 |
| C18H32O2 | 280.24023 | 0.378 | 7E-(2S-octylcyclopropylidene)heptanoic acid | LipidMAPS: LMFA01140098 |
| C18H32O2 | 280.24023 | 0.378 | 4,6S-dimethyl-2E,4E-hexadecadienoic acid | LipidMAPS: LMFA01020369 |
| C18H32O2 | 280.24023 | 0.378 | 4-octadecynoic acid | LipidMAPS: LMFA01030565 |
| C18H32O2 | 280.24023 | 0.378 | 17-octadecynoic acid | HMDB: HMDB0244776 LipidMAPS: LMFA01030575 |
| C18H32O2 | 280.24023 | 0.378 | 2Z,5Z-octadecadienoic acid | LipidMAPS: LMFA01030308 |
| C18H32O2 | 280.24023 | 0.378 | Dihomolinoleic acid | HMDB: HMDB0005048, HMDB0061864, HMDB0244277 LipidMAPS: LMFA01030124, LMFA01030125, LMFA01030126, LMFA01031059 |
| C18H32O2 | 280.24023 | 0.378 | 7Z,11Z-octadecadienoic acid | LipidMAPS: LMFA01030335 |
| C18H32O2 | 280.24023 | 0.378 | Octadeca-2,9-dienoic acid | HMDB: HMDB0302650 |
| C18H32O2 | 280.24023 | 0.378 | 11E,13E-Hexadecadienyl acetate | LipidMAPS: LMFA07010349, LMFA07010356, LMFA07010371, LMFA07010374 |
| C18H32O2 | 280.24023 | 0.378 | 11-octadecynoic acid | LipidMAPS: LMFA01030569 |
| C18H32O2 | 280.24023 | 0.378 | 15-octadecynoic acid | LipidMAPS: LMFA01030573 |
| C18H32O2 | 280.24023 | 0.378 | 6Z,9Z-octadecadienoic acid | HMDB: HMDB0062238 LipidMAPS: LMFA01030330, LMFA01030332 |
| C18H32O2 | 280.24023 | 0.378 | 4,9-octadecadienoic acid | LipidMAPS: LMFA01030314 |
| C18H32O2 | 280.24023 | 0.378 | Malvalic acid | HMDB: HMDB0302286 KEGG: C08321 KNApSAcK: C00001227 LipidMAPS: LMFA01140002 |
| C18H32O2 | 280.24023 | 0.378 | 9,15-Octadecadienoic acid | HMDB: HMDB0029800 KNApSAcK: C00052789 |
| C18H32O2 | 280.24023 | 0.378 | 3Z,12Z-octadecadienoic acid | LipidMAPS: LMFA01030311 |
| C18H32O2 | 280.24023 | 0.378 | 5-octadecynoic acid | HMDB: HMDB0031097 LipidMAPS: LMFA01030566 |
| C18H32O2 | 280.24023 | 0.378 | 7Z,11E-Hexadecadienyl acetate | LipidMAPS: LMFA07010373, LMFA07010375 |
| C18H32O2 | 280.24023 | 0.378 | Linoleate | HMDB: HMDB0000673, HMDB0006270, HMDB0247706, [-1f]HMDB0303241 KEGG: C01595 KNApSAcK: C00001224, C00036669 LipidMAPS: LMFA01030120, LMFA01030121, LMFA01030122, LMFA01030123 |
| C18H32O2 | 280.24023 | 0.378 | 9,13-octadecadienoic acid | LipidMAPS: LMFA01030338 |
| C18H32O2 | 280.24023 | 0.378 | 4-methyl-7Z,11Z-heptadecadienoic acid | LipidMAPS: LMFA01020416, LMFA01020427 |
| C18H32O2 | 280.24023 | 0.378 | 8E,10E-octadecadienoic acid | LipidMAPS: LMFA01030115 |
| C18H32O2 | 280.24023 | 0.378 | 4E,8E-octadecadienoic acid | LipidMAPS: LMFA01030315, LMFA01030317 |
| C18H32O2 | 280.24023 | 0.378 | Octadecadienoate | HMDB: HMDB0062784, HMDB0255894 LipidMAPS: LMFA01030306 |
| C18H32O2 | 280.24023 | 0.378 | 10E,12E-Hexadecadienyl acetate | LipidMAPS: LMFA07010348, LMFA07010355, LMFA07010369 |
| C18H32O2 | 280.24023 | 0.378 | 6E,8E-octadecadienoic acid | LipidMAPS: LMFA01030114 |
| C18H32O2 | 280.24023 | 0.378 | 5,11-octadecadienoic acid | LipidMAPS: LMFA01030319, LMFA01030322 |
| C18H32O2 | 280.24023 | 0.378 | Ethyl 2E,4Z-hexadecadienoate | HMDB: HMDB0031051 |
| C18H32O2 | 280.24023 | 0.378 | 6,11-octadecadienoic acid | LipidMAPS: LMFA01030326, LMFA01030328, LMFA01030331 |
| C18H32O2 | 280.24023 | 0.378 | 2E,6E-octadecadienoic acid | LipidMAPS: LMFA01030307, LMFA01030309 |
| C18H32O2 | 280.24023 | 0.378 | 16-methyl-6Z,9Z-heptadecadienoic acid | LipidMAPS: LMFA01020207 |
| C18H32O2 | 280.24023 | 0.378 | Linalyl caprylate | HMDB: HMDB0030430 |
| C18H32O2 | 280.24023 | 0.378 | 10-octadecynoic acid | LipidMAPS: LMFA01030568 |
| C18H32O2 | 280.24023 | 0.378 | 13-octadecynoic acid | LipidMAPS: LMFA01030571 |
| C18H32O2 | 280.24023 | 0.378 | 4Z,7Z-octadecadienoic acid | LipidMAPS: LMFA01030316 |
| C18H32O2 | 280.24023 | 0.378 | 8,12-octadecadienoic acid | HMDB: HMDB0247466 LipidMAPS: LMFA01030337 |
| C18H32O2 | 280.24023 | 0.378 | 3-octadecynoic acid | LipidMAPS: LMFA01030564 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 281.24753 |
| Splash: splash10-03di-0090000000-cdea71e72854538bacc1 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 263.21 | 1900 | 18 | 1000 |
| 245.24 | 327 | 36 | 172 |
| 211.13 | 146 | 70 | 76 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH) | Pterocarpan | Neodunol |
| Level: 3, プリカーサーm/z: 263.15308 |
| Splash: splash10-0002-0490000000-3f1837bd9f410e53faf7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 245.21 | 525 | 18 | 1000 |
| 189.01 | 50 | 74 | 94 |
| 163.05 | 46 | 100 | 87 |
| 149.07 | 42 | 114 | 79 |
| 175.18 | 41 | 88 | 78 |
| 161.12 | 31 | 102 | 58 |
| 120.99 | 29 | 142 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Aurone]-A(1([2,3:@@]-Furano))-B(none) | Aurone | Furano[2'',3'':6,7]aurone |