ピーク情報
|
＜牛乳及び乳製品＞（チーズ類） ナチュラルチーズ ブルー
pos
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| Peak #13496 MN MID: SE120_S130391_M90 |
| m/z: 199.16921, RT: 86.75, 強度: 2289, ログ強度: -0.82, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 8 |
| DB検索結果: (58 names) 6-dodecenoic acid;Decanoyl acetaldehyde;5-methyl-2-undecenoic acid;5,5-Dibutyl-4,5-dihydro-2(3H)furanone;Linderic acid;4E-Decenyl acetate;Menthyl acetate;Cybullol;2,[2S-(2alpha,4aalpha,5alpha,8abeta)]... |
| DBごとのヒット数: ALL 56 KG 4 KN 7 HM 10 LM 35 |
| 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 |
|---|---|---|---|---|
| C12H22O2 | 198.16198 | -0.218 | 6E-dodecenoic acid | LipidMAPS: LMFA01030039, LMFA01030227 |
| C12H22O2 | 198.16198 | -0.218 | Decanoyl acetaldehyde | KEGG: C16947 |
| C12H22O2 | 198.16198 | -0.218 | 5-methyl-2-undecenoic acid | LipidMAPS: LMFA01020106 |
| C12H22O2 | 198.16198 | -0.218 | 5,5-Dibutyl-4,5-dihydro-2(3H)furanone | HMDB: HMDB0036182 |
| C12H22O2 | 198.16198 | -0.218 | Linderic acid | KNApSAcK: C00051284 |
| C12H22O2 | 198.16198 | -0.218 | cis-4-Decenyl acetate | HMDB: HMDB0032214 LipidMAPS: LMFA07010202, LMFA07010207 |
| C12H22O2 | 198.16198 | -0.218 | Neomenthyl acetate | HMDB: HMDB0041264, HMDB0302743, HMDB0302769, HMDB0302770, HMDB0303918 KEGG: C16825, C09870 KNApSAcK: C00000850, C00036314, C00053547 |
| C12H22O2 | 198.16198 | -0.218 | Cybullol | KNApSAcK: C00013221 |
| C12H22O2 | 198.16198 | -0.218 | ethyl 7-methyl-4-non-4E-enoate | LipidMAPS: LMFA07100003 |
| C12H22O2 | 198.16198 | -0.218 | 2-Octenyl butyrate | HMDB: HMDB0038081 LipidMAPS: LMFA07010603 |
| C12H22O2 | 198.16198 | -0.218 | dihydroterpinyl acetate | HMDB: HMDB0303878 |
| C12H22O2 | 198.16198 | -0.218 | cis-3-Hexenyl hexanoate | HMDB: HMDB0033378 KNApSAcK: C00055585 LipidMAPS: LMFA07010594 |
| C12H22O2 | 198.16198 | -0.218 | Rhodinyl acetate | HMDB: HMDB0037186 LipidMAPS: LMFA07011010 |
| C12H22O2 | 198.16198 | -0.218 | (E)-2-Hexenyl hexanoate | HMDB: HMDB0038924, HMDB0302419 KNApSAcK: C00056181 LipidMAPS: LMFA07010587 |
| C12H22O2 | 198.16198 | -0.218 | 2S,3R-methylene-undecanoic acid | LipidMAPS: LMFA01140105, LMFA01140106 |
| C12H22O2 | 198.16198 | -0.218 | Ethyl 4-decenoate | HMDB: HMDB0039220 LipidMAPS: LMFA07010868 |
| C12H22O2 | 198.16198 | -0.218 | 7E-Decenyl acetate | LipidMAPS: LMFA07010204, LMFA07010210 |
| C12H22O2 | 198.16198 | -0.218 | Citronellyl acetate | HMDB: HMDB0034160, HMDB0034844 KEGG: C12298 KNApSAcK: C00035564 LipidMAPS: LMFA07010812, LMPR0102010015 |
| C12H22O2 | 198.16198 | -0.218 | Hexyl 2-methyl-3-pentenoate | HMDB: HMDB0040158 |
| C12H22O2 | 198.16198 | -0.218 | 2,7-Diethyl-1,6-dioxaspiro[4.5]decane | LipidMAPS: LMPK09000032 |
| C12H22O2 | 198.16198 | -0.218 | (6R,8S)-2,2,8-Trimethyl-1,7-dioxaspiro[5.5]undecane | LipidMAPS: LMPK09000019 |
| C12H22O2 | 198.16198 | -0.218 | Hept-2-en-1-yl isovalerate | HMDB: [-1]HMDB0303232 |
| C12H22O2 | 198.16198 | -0.218 | Chokol A | KNApSAcK: C00011518 |
| C12H22O2 | 198.16198 | -0.218 | (2S,4R,6R,8S)-2,4,8-Trimethyl-1,7-dioxaspiro-[5.5]undecane | LipidMAPS: LMPK09000015 |
| C12H22O2 | 198.16198 | -0.218 | Methyl 10-undecenoate | HMDB: HMDB0029585 LipidMAPS: LMFA07010937 |
| C12H22O2 | 198.16198 | -0.218 | 3Z-Decenyl acetate | LipidMAPS: LMFA07010206 |
| C12H22O2 | 198.16198 | -0.218 | [(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde | HMDB: HMDB0041449 |
| C12H22O2 | 198.16198 | -0.218 | 10-dodecenoic acid | LipidMAPS: LMFA01030042, LMFA01030223 |
| C12H22O2 | 198.16198 | -0.218 | 2-Ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane | LipidMAPS: LMPK09000031 |
| C12H22O2 | 198.16198 | -0.218 | 11-dodecenoic acid | HMDB: HMDB0032248 LipidMAPS: LMFA01030043 |
| C12H22O2 | 198.16198 | -0.218 | Allyl nonanoate | HMDB: HMDB0029763 LipidMAPS: LMFA07010778 |
| C12H22O2 | 198.16198 | -0.218 | 5Z-Dodecenoic acid | HMDB: HMDB0000529 LipidMAPS: LMFA01030225, LMFA01030226 |
| C12H22O2 | 198.16198 | -0.218 | xi-5-Dodecanolide | HMDB: HMDB0037742 LipidMAPS: LMFA07040040 |
| C12H22O2 | 198.16198 | -0.218 | 3Z-dodecenoic acid | LipidMAPS: LMFA01030768, LMFA01030772 |
| C12H22O2 | 198.16198 | -0.218 | gamma-Dodecalactone | HMDB: HMDB0031683 KNApSAcK: C00030347 LipidMAPS: LMFA07040042 |
| C12H22O2 | 198.16198 | -0.218 | 7-Hexyl-2-oxepanone | HMDB: HMDB0038895 |
| C12H22O2 | 198.16198 | -0.218 | 5E-Decenyl acetate | LipidMAPS: LMFA07010203, LMFA07010208 |
| C12H22O2 | 198.16198 | -0.218 | 2,6-Dimethyl-5-heptenal propyleneglycol acetal | HMDB: HMDB0032235 |
| C12H22O2 | 198.16198 | -0.218 | 3-Ethylundecan-2,4-dione | LipidMAPS: LMFA12000249 |
| C12H22O2 | 198.16198 | -0.218 | Ethyl 2-decenoate | HMDB: HMDB0037329 LipidMAPS: LMFA07010851 |
| C12H22O2 | 198.16198 | -0.218 | 4-tert-Butylcyclohexyl acetate | HMDB: HMDB0303915 |
| C12H22O2 | 198.16198 | -0.218 | Methyl 9-undecenoate | HMDB: HMDB0037305 LipidMAPS: LMFA07010958 |
| C12H22O2 | 198.16198 | -0.218 | 3-Heptyldihydro-5-methyl-2(3H)-furanone | HMDB: HMDB0037813 |
| C12H22O2 | 198.16198 | -0.218 | (Z)-2-Nonenyl propionate | LipidMAPS: LMFA07010630 |
| C12H22O2 | 198.16198 | -0.218 | 10-methyl-6R-undecanolide | LipidMAPS: LMFA07040127 |
| C12H22O2 | 198.16198 | -0.218 | 9-cyclopropylnonanoic acid | LipidMAPS: LMFA01140056 |
| C12H22O2 | 198.16198 | -0.218 | 2-Propyl-1,7-dioxaspiro[5.5]undecane | LipidMAPS: LMPK09000030 |
| C12H22O2 | 198.16198 | -0.218 | isopropyl 7-methyl-4-oct-4E-enoate | LipidMAPS: LMFA07100002 |
| C12H22O2 | 198.16198 | -0.218 | 1-Menthol acetate | HMDB: HMDB0302759 |
| C12H22O2 | 198.16198 | -0.218 | Hexyl 2E-hexenoate | HMDB: HMDB0038269 LipidMAPS: LMFA07010904 |
| C12H22O2 | 198.16198 | -0.218 | 2E-Decenyl acetate | LipidMAPS: LMFA07010201 |
| C12H22O2 | 198.16198 | -0.218 | Hexyl 2-methyl-4-pentenoate | HMDB: HMDB0040163 LipidMAPS: LMFA07010905 |
| C12H22O2 | 198.16198 | -0.218 | Citral dimethyl acetal | HMDB: HMDB0040361 KNApSAcK: C00054023 |
| C12H22O2 | 198.16198 | -0.218 | 7-dodecenoic acid | LipidMAPS: LMFA01030040, LMFA01030228 |
| C12H22O2 | 198.16198 | -0.218 | 1-Ethenylhexyl butanoate | HMDB: HMDB0037498 LipidMAPS: LMFA07010710 |
| C12H22O2 | 198.16198 | -0.218 | 9E-dodecenoic acid | LipidMAPS: LMFA01030041, LMFA01030229 |
| C12H22O2 | 198.16198 | -0.218 | cis-2-Dodecenoic acid | HMDB: HMDB0010729 KEGG: C21202 LipidMAPS: LMFA01030037, LMFA01030224, LMFA01030788 |
| C12H22O2 | 198.16198 | -0.218 | 4E-dodecenoic acid | LipidMAPS: LMFA01030038 |
| C12H22O2 | 198.16198 | -0.218 | 11-Dodecanolide | LipidMAPS: LMFA07040038 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 199.16881 |
| Splash: splash10-001i-0900000000-6bebc7e42e12ca76b1f0 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 181.05 | 17025 | 18 | 1000 |
| 163.11 | 5014 | 36 | 294 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 181.05052 |
| Splash: splash10-03di-0900000000-571612f46f868d5170be |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 162.98 | 6933 | 18 | 1000 |
| 80.83 | 457 | 100 | 65 |
| 106.98 | 429 | 74 | 61 |
FlavonoidSearch結果
ヒットなし