ピーク情報
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＜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 #12920 MN MID: SE120_S130391_M90 |
| m/z: 391.28415, RT: 68.66, 強度: 2410, ログ強度: -0.80, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 8 |
| DB検索結果: (42 names) Aculeatol D;3a,4b,7a-Trihydroxy-5b-cholanoic acid;(23R)-3alpha,7beta,23-Trihydroxy-5beta-cholan-24-oic Acid;3alpha,7alpha,15alpha-Trihydroxy-5beta-cholan-24-oic Acid;3alpha,7beta,21chi-Trihydroxy-5bet... |
| DBごとのヒット数: ALL 37 KG 8 KN 7 HM 1 LM 21 |
| 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 |
|---|---|---|---|---|
| C24H40O5 | 408.28757 | -0.326 | Aculeatol D | KNApSAcK: C00038353, C00038354, C00038356 |
| C24H40O5 | 408.28757 | -0.326 | 3a,4b,7a-Trihydroxy-5b-cholanoic acid | HMDB: HMDB0000320 LipidMAPS: LMST04010060, LMST04010061 |
| C24H40O5 | 408.28757 | -0.326 | beta-Phocaecholate | KEGG: C17654 LipidMAPS: LMST04010102, LMST04010103, LMST04010250, LMST04010251 |
| C24H40O5 | 408.28757 | -0.326 | Cygnocholate | KEGG: C20868 LipidMAPS: LMST04010411 |
| C24H40O5 | 408.28757 | -0.326 | 3alpha,7beta,21chi-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010248 |
| C24H40O5 | 408.28757 | -0.326 | 3alpha,7beta,14alpha-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010417 |
| C24H40O5 | 408.28757 | -0.326 | Hyocholate | HMDB: HMDB0000364, HMDB0000415, HMDB0000506, HMDB0000760, HMDB0000865, HMDB0246290 KEGG: C17649, C17727, C17647, C17726 LipidMAPS: LMST04010064, LMST04010065, LMST04010066, LMST04010067, LMST04010068, LMST04010069, LMST04010070, LMST04010071, LMST04010072, LMST04010073, LMST04010074, LMST04010075 |
| C24H40O5 | 408.28757 | -0.326 | Haemulcholate | KEGG: C17668 LipidMAPS: LMST04010100, LMST04010101, LMST04010249 |
| C24H40O5 | 408.28757 | -0.326 | Anisodorin 5 | KNApSAcK: C00049357 |
| C24H40O5 | 408.28757 | -0.326 | 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid | LipidMAPS: LMST04010339 |
| C24H40O5 | 408.28757 | -0.326 | 2b,3a,7a-Trihydroxy-5b-cholanoic acid | HMDB: HMDB0000404 LipidMAPS: LMST04010059 |
| C24H40O5 | 408.28757 | -0.326 | 3alpha,7alpha,19-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010256 |
| C24H40O5 | 408.28757 | -0.326 | 6a,12a-Dihydroxylithocholic acid | HMDB: HMDB0000527 LipidMAPS: LMST04010080, LMST04010081, LMST04010082, LMST04010083 |
| C24H40O5 | 408.28757 | -0.326 | 3alpha,12alpha,19-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010257 |
| C24H40O5 | 408.28757 | -0.326 | 3alpha,7beta,17alpha-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010414, LMST04010418 |
| C24H40O5 | 408.28757 | -0.326 | 3a,4b,12a-Trihydroxy-5b-cholanoic acid | HMDB: HMDB0000330 LipidMAPS: LMST04010077, LMST04010078 |
| C24H40O5 | 408.28757 | -0.326 | Tasnemoxide A | KNApSAcK: C00043959 |
| C24H40O5 | 408.28757 | -0.326 | 1,3,12-Trihydroxycholan-24-oic acid | HMDB: HMDB0000326, HMDB0000371 LipidMAPS: LMST04010063 |
| C24H40O5 | 408.28757 | -0.326 | 3alpha,5beta,7beta-Trihydroxycholan-24-oic Acid | LipidMAPS: LMST04010062, LMST04010247 |
| C24H40O5 | 408.28757 | -0.326 | Bitocholate | KEGG: C17657 LipidMAPS: LMST04010113, LMST04010285 |
| C24H40O5 | 408.28757 | -0.326 | 3alpha,15beta,18-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010112 |
| C24H40O5 | 408.28757 | -0.326 | 2beta,15-Dihydroxy-ent-7-labdene-2-O-methylmalonate | KNApSAcK: C00022798 |
| C24H40O5 | 408.28757 | -0.326 | Cholic acid | KNApSAcK: C00050558 |
| C24H40O5 | 408.28757 | -0.326 | Ursocholate | HMDB: HMDB0000312, HMDB0000376, HMDB0000390, HMDB0000395, HMDB0000419, HMDB0000427, HMDB0000432, HMDB0000505, HMDB0000619, HMDB0000917, HMDB0249206 KEGG: C17644, C17737, C00695, C01558, C04661 KNApSAcK: C00054052 LipidMAPS: LMST04010001, LMST04010085, LMST04010086, LMST04010087, LMST04010088, LMST04010089, LMST04010090, LMST04010091, LMST04010092, LMST04010093, LMST04010094, LMST04010095, LMST04010096, LMST04010097, LMST04010098, LMST04010099 |
| C24H40O5 | 408.28757 | -0.326 | Tasnemoxide B | KNApSAcK: C00043960 |
| C24H40O5 | 408.28757 | -0.326 | 2beta,3alpha,12alpha-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010076 |
| C24H40O5 | 408.28757 | -0.326 | Vulpecholate | HMDB: HMDB0000414 KEGG: C17650 LipidMAPS: LMST04010057, LMST04010058, LMST04010246 |
| C24H40O5 | 408.28757 | -0.326 | 3alpha,5beta,12alpha-Trihydroxycholan-24-oic Acid | LipidMAPS: LMST04010079 |
| C24H40O5 | 408.28757 | -0.326 | Avicholate | KEGG: C17667, C20866 LipidMAPS: LMST04010107, LMST04010449 |
| C24H40O5 | 408.28757 | -0.326 | Epimuqubilin B | KNApSAcK: C00039134 |
| C24H40O5 | 408.28757 | -0.326 | 3alpha,11beta,12beta-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010370, LMST04010371, LMST04010372, LMST04010373 |
| C24H40O5 | 408.28757 | -0.326 | 3alpha,12alpha,15beta-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010110, LMST04010300 |
| C24H40O5 | 408.28757 | -0.326 | 3alpha,12alpha,16alpha-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010111 |
| C24H40O5 | 408.28757 | -0.326 | 3alpha,11beta,15beta-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010108, LMST04010109 |
| C24H40O5 | 408.28757 | -0.326 | Butaprost | HMDB: HMDB0249457 |
| C24H40O5 | 408.28757 | -0.326 | 3beta,9alpha,11beta-Trihydroxy-5beta-cholan-24-oic Acid | LipidMAPS: LMST04010104, LMST04010105 |
| C24H40O5 | 408.28757 | -0.326 | LipidMAPS: LMPK13070027, LMPK13070028 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 391.28329 |
| Splash: splash10-0592-0409000000-1e64fda058a9620a8979 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 346.32 | 1708 | 45 | 1000 |
| 156.05 | 1497 | 235 | 876 |
| 374.25 | 1300 | 17 | 761 |
| 109.98 | 138 | 281 | 80 |
| 277.14 | 88 | 114 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavone | Kanzonol E |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(2OH, 1OMe) | Flavone | Gardenin E |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH, 2OMe) | Flavone | Scaposin |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(2OH, 1OMe) | Flavone | Agecorynin D |
| 0.000 | [Flavanone]-A(1OH, 2OMe)-B(3OMe) | Flavanone | 5-Hydroxy-6,7,3',4',5'-pentamethoxyflavanone |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 3,5,3'-Trihydroxy-6,7,4',5'-tetramethoxyflavone |
| 0.000 | [Flavonol]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 3,5,4'-Trihydroxy-6,7,8,3'-tetramethoxyflavone |
| 0.000 | [Flavonol]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 3,5,3'-Trihydroxy-6,7,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol]-A(2OH, 2OMe)-B(2OMe) | Flavonol | 3,5,8-Trihydroxy-6,7,3',4'-tetramethoxyflavone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH) | 2'-Hydroxychalcone | Lespeol |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Paratocarpin C |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Anthyllisone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Paratocarpin B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([3,4,5:@@@]-(1,7,7-Trimethyl-2,6-dioxa-tricyclo[6.2.2.0(4,9)]dodecene)))-B(none) | 2'-Hydroxychalcone | Rubranine |
| 0.000 | [Flavanone]-A(1OH)-B(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Abyssinone III |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Euchrenone a5 |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Dinklagin A |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | Flavanone | Shinflavanone |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Fulvinervin A |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,7,4'-Trihydroxy-3,6,3',5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,7,3'-Trihydroxy-3,6,4',5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,3',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Apuleitrin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,7,5'-Trihydroxy-3,6,2',4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5-O-Demethylapulein |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,6,5'-Trihydroxy-3,7,2',4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 3,7,8,4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Hibiscetin 3,8,3',4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,2',4'-Trihydroxy-3,7,8,5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH) | Flavonol | 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 5,7,4'-Trihydroxy-3,6,8,3'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 5,7,3'-Trihydroxy-3,6,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 5,6,3'-Trihydroxy-3,7,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH) | Flavonol | 5,2',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Hispaglabridin B |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(3OMe)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Abruquinone B |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Folitenol |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Folinin |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Erybraedin D |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Erybraedin B |
| 0.000 | [Pterocarpene]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Pterocarpene | Erycristagallin |
| 0.000 | [6,12a-Hydroxyrotenone]-A(1OH, 1OMe)-B(2OMe) | 6,12a-Hydroxyrotenone | Clitoriacetal |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Butyroyl)-B(none) | 4-phenylcoumarin | 6-Butyryl-5-hydroxy-4-phenylseselin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Isobutyroyl)-B(none) | 4-phenylcoumarin | Mesuagin |
| Level: 3, プリカーサーm/z: 156.05130 |
| Splash: splash10-0a4i-0900000000-cb83095c52e08cda8594 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 109.84 | 748 | 46 | 1000 |
| 94.94 | 45 | 61 | 60 |
FlavonoidSearch結果
ヒットなし
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 |
|---|