ピーク情報
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パセリ 葉
pos
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| Peak #9378 MN MID: SE61_S21_M90 |
| m/z: 337.27369, RT: 79.58, 強度: 5312, ログ強度: 0.14, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 10 |
| DB検索結果: (15 names) Subamolide C;(+)-Subamolide C;5-(2R-hydroxy-pentadecyl)-benzene-1-3-diol;5-Butyl-3,4-dimethyl-2-furanundecanoic acid;Isolinderanolide;3,4-Dimethyl-5-propyl-2-furandodecanoic acid;2alpha-(Hydroxymethyl... |
| DBごとのヒット数: ALL 14 KG 2 KN 3 HM 3 LM 6 |
| FlavonoidSearch最大スコア MS2: 0.034, MS3: 0.030 |
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 |
|---|---|---|---|---|
| C21H36O3 | 336.26645 | -0.106 | Subamolide C | KNApSAcK: C00040403 |
| C21H36O3 | 336.26645 | -0.106 | 5-(2R-hydroxy-pentadecyl)-benzene-1-3-diol | LipidMAPS: LMPK15030042 |
| C21H36O3 | 336.26645 | -0.106 | 5-Butyl-3,4-dimethyl-2-furanundecanoic acid | HMDB: HMDB0112072 LipidMAPS: LMFA01150021 |
| C21H36O3 | 336.26645 | -0.106 | Isolinderanolide | HMDB: HMDB0038105 LipidMAPS: LMFA07040150 |
| C21H36O3 | 336.26645 | -0.106 | 3,4-Dimethyl-5-propyl-2-furandodecanoic acid | HMDB: HMDB0112076 |
| C21H36O3 | 336.26645 | -0.106 | 3-Methyl-5-pentyl-2-furanundecanoic acid | HMDB: HMDB0031005 LipidMAPS: LMFA01150013 |
| C21H36O3 | 336.26645 | -0.106 | 2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol | KEGG: C14977 |
| C21H36O3 | 336.26645 | -0.106 | Methyl 15-hydroxy-7-labden-17-oate | KNApSAcK: C00023419 |
| C21H36O3 | 336.26645 | -0.106 | 5beta-Pregnane-3alpha,17alpha,20alpha-triol | HMDB: HMDB0006070, HMDB0256756 KEGG: C14680 |
| C21H36O3 | 336.26645 | -0.106 | methyl 5R,6R-epoxy-eicos-7-ynoate | LipidMAPS: LMFA01070041, LMFA01070044 |
| C21H36O3 | 336.26645 | -0.106 | Allopregnane-3beta,16alpha,20alpha-triol | LipidMAPS: LMST02030306 |
| C21H36O3 | 336.26645 | -0.106 | Methyl labd-13-en-15-oate | KNApSAcK: C00037497 |
| C21H36O3 | 336.26645 | -0.106 | 3-Methyl-5-propyl-2-furantridecanoic acid | HMDB: HMDB0112079 |
| C21H36O3 | 336.26645 | -0.106 | 3,4-Dimethyl-5-pentyl-2-furandecanoic acid | HMDB: HMDB0112067 LipidMAPS: LMFA01150029 |
| C21H36O3 | 336.26645 | -0.106 | 5-Hexyl-3,4-dimethyl-2-furannonanoic acid | HMDB: HMDB0112101 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 337.27341 |
| Splash: splash10-014j-0903000000-2ad1dfd382008f5f2001 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 319.30 | 1601 | 18 | 1000 |
| 121.07 | 660 | 216 | 412 |
| 135.12 | 545 | 202 | 340 |
| 149.13 | 480 | 188 | 299 |
| 163.17 | 451 | 174 | 281 |
| 145.10 | 382 | 192 | 238 |
| 147.13 | 339 | 190 | 211 |
| 301.31 | 337 | 36 | 210 |
| 161.17 | 333 | 176 | 208 |
| 177.16 | 330 | 160 | 205 |
| 175.09 | 305 | 162 | 190 |
| 119.04 | 288 | 218 | 179 |
| 133.08 | 281 | 204 | 175 |
| 173.15 | 277 | 164 | 173 |
| 109.05 | 254 | 228 | 158 |
| 107.06 | 250 | 230 | 156 |
| 189.15 | 245 | 148 | 152 |
| 203.15 | 244 | 134 | 152 |
| 123.05 | 242 | 214 | 151 |
| 245.16 | 239 | 92 | 149 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.107 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | Dorspoinsettifolin |
| 0.103 | [Chalcone]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Chalcone | Licoagrochalcone B |
| 0.077 | [Isoflavone]-A(1OH)-B(1OMe, 1(C-Prenyl)) | Isoflavone | 4'-O-Methylneobavaisoflavone |
| 0.071 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 2'-Hydroxychalcone | 4-Methoxylonchocarpin |
| 0.067 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavone | Atalantoflavone |
| 0.067 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavone | Carpachromene |
| 0.065 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Alpinumisoflavone |
| 0.065 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Derrone |
| 0.038 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Pterocarpan | Hemileiocarpin |
| 0.034 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Oaxacacin |
| 0.034 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Pongachalcone I |
| 0.034 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Cedreprenone |
| 0.033 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Ovalichromene |
| 0.033 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Obovatin methyl ether |
| 0.032 | [Flavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Yinyanghuo C |
| 0.031 | [Isoflavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Isoderrone |
| 0.031 | [Isoflavone]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Glabrone |
| 0.031 | [Isoflavone]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Puerarone |
| 0.000 | [Coumestan]-A(1OH, 1(C-Prenyl))-B(1OH) | Coumestan | Psoralidin |
| 0.000 | [Coumestan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Coumestan | Isosojagol |
| 0.000 | [Coumestan]-A(1OH, 1(C-Prenyl))-B(1OH) | Coumestan | Phaseol |
| 0.000 | [2-(alpha-oxobenzyl)benzofuran (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 2-(alpha-oxobenzyl)benzofuran | Derriobtusone B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | 2'-Hydroxychalcone | Crassichalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']chalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 6'-Demethoxypraecansone B |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1(3-Methylbutadienyl))-B(none) | Flavanone | Tephroleocarpin B |
| 0.000 | [Flavanone]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flavanone | Emoroidenone |
| 0.000 | [Flavone]-A(1OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavone | Lanceolatin A(flavonoid) |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Flavone | Ciliatin A |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavonol | Pongapin |
| 0.000 | [Flav-3-ene]-A(2OMe, 1(C-Prenyl))-B(none) | Flav-3-ene | Tephrowatsin B |
| 0.000 | [Isoflavone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Dehydroneotenone |
| 0.000 | [Isoflavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Isoflavone | Garhwalin |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OH) | Pterocarpan-6a-ol | Clandestacarpin |
| 0.000 | [Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | Coumestan | Sojagol |
| 0.000 | [Coumestan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Coumestan | Isopsoralidin |
| 0.000 | [Rotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Rotenone | Dolineone |
| 0.000 | [3-Phenylcoumarin]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | 3-Phenylcoumarin | Pachyrrhizin |
| Level: 3, プリカーサーm/z: 121.06601 |
| Splash: splash10-0006-9000000000-b897da308ac93a5c5021 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 93.05 | 122 | 28 | 1000 |
| 78.99 | 31 | 42 | 250 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 319.29980 |
| Splash: splash10-0ika-0792000000-7015a3916da0f7fb13fc |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 263.22 | 97 | 56 | 1000 |
| 301.36 | 80 | 18 | 819 |
| 249.10 | 47 | 70 | 481 |
| 235.20 | 39 | 84 | 399 |
| 261.20 | 29 | 58 | 301 |
| 145.14 | 28 | 174 | 288 |
| 118.89 | 22 | 200 | 228 |
| 121.01 | 21 | 198 | 218 |
| 147.18 | 21 | 172 | 213 |
| 175.12 | 20 | 144 | 209 |
| 191.09 | 20 | 128 | 208 |
| 149.00 | 19 | 170 | 194 |
| 123.23 | 17 | 196 | 176 |
| 171.03 | 16 | 148 | 164 |
| 107.06 | 15 | 212 | 157 |
| 209.24 | 15 | 110 | 153 |
| 277.27 | 15 | 42 | 150 |
| 213.08 | 15 | 106 | 150 |
| 173.05 | 14 | 146 | 143 |
| 227.22 | 14 | 92 | 142 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.188 | [Flavonol]-A(4OH)-B(1OH) | Flavonol | 3,5,6,7,8,4'-Hexahydroxyflavone |
| 0.188 | [Flavonol]-A(3OH)-B(2OH) | Flavonol | Quercetagetin |
| 0.188 | [Flavonol]-A(3OH)-B(2OH) | Flavonol | Gossypetin |
| 0.152 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 3,5,8,3',4',5'-Hexahydroxyflavone |
| 0.152 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | Myricetin |
| 0.152 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 5'-Hydroxymorin |
| 0.152 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 3,5,7,2',3',4'-Hexahydroxyflavone |
| 0.148 | [Anthocyanidin]-A(3OH)-B(3OH) | Anthocyanidin | 6-Hydroxydelphinidin |
| 0.107 | [Flavone]-A(3OH)-B(3OH) | Flavone | 5,6,7,3',4',5'-Hexahydroxyflavone |
| 0.107 | [Flavone]-A(3OH)-B(3OH) | Flavone | 5,7,8,3',4',5'-Hexahydroxyflavone |
| 0.107 | [Flavone]-A(4OH)-B(2OH) | Flavone | Bitalgenin |
| 0.107 | [Flavanone]-A(3OH)-B(1OH, 1OMe) | Flavanone | 8-Hydroxyhesperetin |
| 0.080 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-6-methoxyflavanone |
| 0.080 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | Dihydroisorhamnetin |
| 0.069 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxy-6-methoxyflavanone |
| 0.069 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 6-Methoxyeriodictyol |
| 0.069 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxyeriodictyol |
| 0.045 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(2OH) | Dihydroflavonol | Taxifolin 3-methyl ether |
| 0.043 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone |
| 0.043 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | 8-Methoxyfustin |
| 0.043 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | 3,5,2',3'-Tetrahydroxy-7-methoxyflavanone |
| 0.043 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | Taxifolin 5-methyl ether |
| 0.043 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | Padmatin |
| 0.043 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone |
| 0.043 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 4'-methyl ether |
| 0.043 | [Dihydroflavonol]-A(1OH)-B(2OH, 1OMe) | Dihydroflavonol | Sepinol |
| 0.042 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,3'-dimethyl ether |
| 0.042 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 7,4'-dimethyl ether |
| 0.042 | [Flavan 3-ol]-A(2OH)-B(2OMe) | Flavan 3-ol | Catechin 3',4'-dimethyl ether |
| 0.000 | [Isoflavan]-A(2OH)-B(1OH, 2OMe) | Isoflavan | Bryaflavan |
| 0.000 | [Isoflavan]-A(2OH)-B(1OH, 2OMe) | Isoflavan | 8-Demethylduartin |
| 0.000 | [UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone]-A(2OH, 2Methyl)-B(1OH) | UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone | Protofarrerol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH) | Dihydroflavonol | 6-Methyltaxifolin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH) | Dihydroflavonol | Deodarin |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OH) | Flavan 4-ol | 4,5,7,4'-Tetrahydroxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [Isoflavanone-3-ol]-A(2OH)-B(1OH, 1OMe) | Isoflavanone-3-ol | Bolusanthin |
| 0.000 | [3-substituted 2-Phenylbenzofuran (3-COOH)]-A(2OH)-B(3OH) | 3-substituted 2-Phenylbenzofuran | Norwedelic acid |