ピーク情報
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パセリ 葉
pos
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| Peak #9561 MN MID: SE61_S21_M90 |
| m/z: 395.21921, RT: 82.72, 強度: 34227, ログ強度: 0.95, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (29 names) [1R-(1alpha,4alpha,4aalpha,5alpha,6alpha,8abeta)]-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4-epoxynaphthalen-5-yl ester 4-methoxybenzoic acid;24-nor-7alpha,12alpha-dihydroxy-cholest-1,4-dien-3,22-... |
| DBごとのヒット数: ALL 24 KG 3 KN 13 HM 7 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.188, MS3: 0.087 |
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 |
|---|---|---|---|---|
| C23H32O4 | 372.23006 | -0.199 | [1R-(1alpha,4alpha,4aalpha,5alpha,6alpha,8abeta)]-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4-epoxynaphthalen-5-yl ester 4-methoxybenzoic acid | KNApSAcK: C00012706 |
| C23H32O4 | 372.23006 | -0.199 | KNApSAcK: C00023909 |
|
| C23H32O4 | 372.23006 | -0.199 | Ferutidin | KNApSAcK: C00037144 |
| C23H32O4 | 372.23006 | -0.199 | Metachromin T | KNApSAcK: C00030749 |
| C23H32O4 | 372.23006 | -0.199 | Neriantogenin | HMDB: HMDB0030044 |
| C23H32O4 | 372.23006 | -0.199 | Scutigeral | HMDB: HMDB0030012 KNApSAcK: C00023940 |
| C23H32O4 | 372.23006 | -0.199 | Deoxycorticosterone acetate | HMDB: HMDB0251003 KEGG: C14554 |
| C23H32O4 | 372.23006 | -0.199 | 5-Ethoxysorgoleone 358 | HMDB: HMDB0032784 |
| C23H32O4 | 372.23006 | -0.199 | Norgestomet | HMDB: HMDB0255739 |
| C23H32O4 | 372.23006 | -0.199 | Grifolic acid | HMDB: HMDB0252942 KNApSAcK: C00030429 |
| C23H32O4 | 372.23006 | -0.199 | 9'-Carboxy-gamma-tocotrienol | HMDB: HMDB0012869 |
| C23H32O4 | 372.23006 | -0.199 | Dictyoceratin A | KNApSAcK: C00046719 |
| C23H32O4 | 372.23006 | -0.199 | 24-nor-7alpha,12alpha-dihydroxy-cholest-1,4-dien-3,22-dione | LipidMAPS: LMST04060030 |
| C23H32O4 | 372.23006 | -0.199 | Prorenoate | HMDB: HMDB0256849 |
| C23H32O4 | 372.23006 | -0.199 | Xysmalogenin | KNApSAcK: C00032536 |
| C23H32O4 | 372.23006 | -0.199 | 9-[(2R)-6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6-dimethylnona-2E,6E-dienoic acid | LipidMAPS: LMPR02020086 |
| C23H32O4 | 372.23006 | -0.199 | 17alpha-Acetoxyprogesterone | HMDB: HMDB0246121 |
| C23H32O4 | 372.23006 | -0.199 | Asperugin C | KNApSAcK: C00034438 |
| C23H32O4 | 372.23006 | -0.199 | 18-Hydroxyhyrtiophenol | KNApSAcK: C00029411, C00046988 |
| C23H32O4 | 372.23006 | -0.199 | [(8S,9S,13S,14S,17R)-3,17-Dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-yl] pentanoate | HMDB: HMDB0258020 |
| C23H32O4 | 372.23006 | -0.199 | Metachromin B | KNApSAcK: C00046135 |
| C23H32O4 | 372.23006 | -0.199 | 3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate | KEGG: C15333 |
| C23H32O4 | 372.23006 | -0.199 | 16alpha,17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate | KEGG: C14635 |
| C23H32O4 | 372.23006 | -0.199 | Pelorol | KNApSAcK: C00030938 |
| C23H32O4 | 372.23006 | -0.199 | (+)-Hongoquercin A | KNApSAcK: C00016079 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 395.21869 |
| Splash: splash10-002b-0279000000-d6608f33defab4b6df0d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 245.19 | 972 | 150 | 1000 |
| 377.27 | 520 | 18 | 535 |
| 311.21 | 467 | 84 | 480 |
| 190.12 | 165 | 205 | 170 |
| 376.25 | 133 | 19 | 137 |
| 176.11 | 113 | 219 | 115 |
| 243.08 | 112 | 152 | 115 |
| 189.34 | 99 | 206 | 102 |
| 349.33 | 84 | 46 | 86 |
| 350.72 | 72 | 44 | 74 |
| 379.27 | 71 | 16 | 73 |
| 281.46 | 69 | 114 | 70 |
| 163.00 | 57 | 232 | 59 |
| 258.13 | 56 | 137 | 57 |
| 303.42 | 54 | 92 | 55 |
| 275.24 | 51 | 120 | 52 |
| 312.42 | 51 | 83 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.188 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe) | Isoflavone | Barbigerone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-Benzoyl)) | Flavan 3-ol | Catechin 3-O-benzoate |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 2(C-Prenyl)) | Dihydrochalcone | Gancaonin J |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 1Geranyl) | Dihydrochalcone | 3-Geranyl-4,2',4'-trihydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 2(C-Prenyl))-B(none) | Dihydrochalcone | 2',4',6'-Trihydroxy-3',5'-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none) | Dihydrochalcone | Linderatin |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | Flavanone | Purpurin |
| 0.000 | [Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-Furano))-B(2OH) | Flavanone | 3',4'-Dihydroxy-7-methoxy-8-prenyl-[2'',3'':5,6]furanoflavanone |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(4-Methyl-5-hydoxy-3a,6a-dihydro-6-oxocyclopenta[b]furano)))-B(2OH) | Flavone | Demethyltorosaflavone C |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Muxiangrin I |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(1OH) | Dihydroflavonol | Gericudranin E |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Flavonol | 8-C-Methylvellokaempferol 3,5-dimethyl ether |
| 0.000 | [Flavan]-A(1OH)-B(2OH, 2(C-Prenyl)) | Flavan | Kazinol A |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Rotenone | Rotenone |
| 0.000 | [Rotenone]-A(1OH, 1(Penta-1,4-dienyl))-B(2OMe) | Rotenone | Myriconol |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Rotenone | Deguelin |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | 12a-Hydroxyisomillettone |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | Millettosin |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(5-Isopropyldihydrofurano)))-B(2OMe) | Dehydrorotenone | Dehydrodihydrorotenone |
| 0.000 | [4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 4-Hydroxy-3-phenylcoumarin | Robustic acid methyl ether |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 4-Hydroxy-3-phenylcoumarin | Robustin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 4-Hydroxy-3-phenylcoumarin | Isorobustin |
| Level: 3, プリカーサーm/z: 377.26657 |
| Splash: splash10-0bvr-0269000000-b5582492e279ad653ed6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 360.42 | 57 | 17 | 1000 |
| 358.95 | 48 | 18 | 841 |
| 376.18 | 29 | 1 | 499 |
| 188.23 | 24 | 189 | 425 |
| 285.05 | 23 | 92 | 401 |
| 255.13 | 22 | 122 | 377 |
| 273.99 | 21 | 103 | 365 |
| 333.06 | 16 | 44 | 287 |
| 278.36 | 14 | 99 | 249 |
| 203.35 | 10 | 174 | 175 |
| 251.23 | 8 | 126 | 145 |
| 233.15 | 8 | 144 | 132 |
| 171.22 | 8 | 206 | 132 |
| 180.90 | 7 | 196 | 122 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.042 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavanone | 5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone |
| 0.042 | [Flavanone]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone |
| 0.034 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 3,5,7,4'-Tetrahydroxy-6,3',5'-trimethoxyflavone |
| 0.034 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 3,5,7,3'-Tetrahydroxy-6,4',5'-trimethoxyflavone |
| 0.034 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Hibiscetin 8,3',5'-trimethyl ether |
| 0.033 | [Flavanone]-A(1OH, 2(C-Prenyl))-B(none) | Flavanone | Ovaliflavanone A |
| 0.033 | [2'-Hydroxychalcone]-A(2OH, 2(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Spinochalcone A |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',6'-Tetrahydroxy-6,8,2'-trimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone |
| 0.000 | [Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | Limocitrol |
| 0.000 | [Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 3,5,7,3'-Tetrahydroxy-6,8,4'-trimethoxyflavone |
| 0.000 | [Flavonol]-A(1OH, 3OMe)-B(2OH) | Flavonol | 3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone |
| 0.000 | [Pterocarpan]-A(1OH, 2OMe)-B(1OH, 2OMe) | Pterocarpan | 2,8-Dihydroxy-3,4,9,10-tetramethoxypterocarpan |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1(2-hydroxybenzyl))-B(none) | Flavanone | 5-O-Methylchamanetin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Benzoyl)) | Dihydroflavonol | Pinobanksin 3-O-benzoate |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl)) | Dihydroflavonol | 3,5,7,3',4'-Pentahydroxy-6-methoxyflavanone 3-O-acetate |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Dihydroflavonol | Plumbaginol |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 2OMe) | Flavonol | 5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Apuleisin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,4',5'-Tetrahydroxy-3,6,2'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 3,7,4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 3,8,4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH) | Flavonol | 5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH) | Flavonol | 5,6,3',4'-Tetrahydroxy-3,7,8-trimethoxyflavone |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 2OMe)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Abruquinone C |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Dehydrorotenone | Dehydromillettone |
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 |
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