ピーク情報
|
イチョウ 葉
pos
|
| Peak #9968 MN MID: SE205_S01_M90 |
| m/z: 257.24768, RT: 82.95, 強度: 29608, ログ強度: 0.93, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (37 names) dodecyl 2-methylpropanoate;2,8-dimethyl-tetradecanoic acid;2-hexyl-decanoic acid;Palmitic acid;2,12-Dimethyltetradecanoic acid;2-propyl-tridecanoic acid;3-ethyl-3-methyl-tridecanoic acid;3,5-dimethyl-... |
| DBごとのヒット数: ALL 37 KG 1 KN 12 LM 24 |
| FlavonoidSearch最大スコア MS2: 0.150, 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 |
|---|---|---|---|---|
| C16H32O2 | 256.24023 | 0.679 | dodecyl 2-methylpropanoate | HMDB: HMDB0036210 LipidMAPS: LMFA07010842 |
| C16H32O2 | 256.24023 | 0.679 | 2,8-dimethyl-tetradecanoic acid | LipidMAPS: LMFA01020039 |
| C16H32O2 | 256.24023 | 0.679 | 2-hexyl-decanoic acid | LipidMAPS: LMFA01020166 |
| C16H32O2 | 256.24023 | 0.679 | Hexadecanoic acid | HMDB: HMDB0000220, [-1f]HMDB0303203, [-1f]HMDB0303251, [-1f]HMDB0303282, [-1f]HMDB0303302 KEGG: C00249 KNApSAcK: C00001233, C00030479 LipidMAPS: LMFA01010001 |
| C16H32O2 | 256.24023 | 0.679 | 2,12-dimethyltetradecanoic acid | KNApSAcK: C00045531 LipidMAPS: LMFA01020435 |
| C16H32O2 | 256.24023 | 0.679 | 2-propyl-tridecanoic acid | LipidMAPS: LMFA01020165 |
| C16H32O2 | 256.24023 | 0.679 | 3-ethyl-3-methyl-tridecanoic acid | LipidMAPS: LMFA01020167 |
| C16H32O2 | 256.24023 | 0.679 | 3,5-dimethyl-tetradecanoic acid | LipidMAPS: LMFA01020171 |
| C16H32O2 | 256.24023 | 0.679 | dodecyl butyrate | HMDB: HMDB0032249 LipidMAPS: LMFA07010424 |
| C16H32O2 | 256.24023 | 0.679 | 4,13-dimethyltetradecanoic acid | KNApSAcK: C00045568 LipidMAPS: LMFA01020433 |
| C16H32O2 | 256.24023 | 0.679 | 10,13-dimethyltetradecanoic acid | LipidMAPS: LMFA01020355 |
| C16H32O2 | 256.24023 | 0.679 | ethyl tetradecanoate | HMDB: HMDB0034153 KNApSAcK: C00035616 LipidMAPS: LMFA07010468 |
| C16H32O2 | 256.24023 | 0.679 | 2-hydroxyhexadecanal | LipidMAPS: LMFA06000252 |
| C16H32O2 | 256.24023 | 0.679 | decyl hexanoate | LipidMAPS: LMFA07010440 |
| C16H32O2 | 256.24023 | 0.679 | 7-Methyloctyl 5-methylhexanoate | LipidMAPS: LMFA07010600 |
| C16H32O2 | 256.24023 | 0.679 | octyl octanoate | HMDB: HMDB0033166 KNApSAcK: C00053590 LipidMAPS: LMFA07010449 |
| C16H32O2 | 256.24023 | 0.679 | 13,13-Dimethyltetradecanoic acid | KNApSAcK: C00052550 LipidMAPS: LMFA01020289 |
| C16H32O2 | 256.24023 | 0.679 | 2,6-dimethyl-tetradecanoic acid | LipidMAPS: LMFA01020038 |
| C16H32O2 | 256.24023 | 0.679 | 14-Methylpentadecanoic acid | HMDB: HMDB0031068 KNApSAcK: C00052561 LipidMAPS: LMFA01020010 |
| C16H32O2 | 256.24023 | 0.679 | hexyl decanoate | HMDB: HMDB0032324 LipidMAPS: LMFA07010456 |
| C16H32O2 | 256.24023 | 0.679 | 3-methyl-pentadecanoic acid | LipidMAPS: LMFA01020164 |
| C16H32O2 | 256.24023 | 0.679 | Methyl 2,6,10-trimethyl-dodecanoate | LipidMAPS: LMFA07010485 |
| C16H32O2 | 256.24023 | 0.679 | 12-Methyltetradecanoic acid methyl ester | KNApSAcK: C00052548 |
| C16H32O2 | 256.24023 | 0.679 | 13-Methyltetradecanoic acid methyl ester | KNApSAcK: C00052556 |
| C16H32O2 | 256.24023 | 0.679 | 2,13-dimethyltetradecanoic acid | KNApSAcK: C00045532 LipidMAPS: LMFA01020429 |
| C16H32O2 | 256.24023 | 0.679 | 4-hexyl-decanoic acid | LipidMAPS: LMFA01020172 |
| C16H32O2 | 256.24023 | 0.679 | butyl dodecanoate | HMDB: HMDB0032065 KNApSAcK: C00035550 LipidMAPS: LMFA07010793 |
| C16H32O2 | 256.24023 | 0.679 | 4,12-dimethyltetradecanoic acid | LipidMAPS: LMFA01020434 |
| C16H32O2 | 256.24023 | 0.679 | 2-heptyl-nonanoic acid | LipidMAPS: LMFA01020168 |
| C16H32O2 | 256.24023 | 0.679 | 2,4-dimethyl-tetradecanoic acid | LipidMAPS: LMFA01020170 |
| C16H32O2 | 256.24023 | 0.679 | Methyl pentadecanoate | HMDB: HMDB0254606 KNApSAcK: C00051574 |
| C16H32O2 | 256.24023 | 0.679 | 13-methyl-pentadecanoic acid | LipidMAPS: LMFA01020192 |
| C16H32O2 | 256.24023 | 0.679 | 6-ethyl-tetradecanoic acid | LipidMAPS: LMFA01020169 |
| C16H32O2 | 256.24023 | 0.679 | 2-ethyl-2-butyl-decanoic acid | LipidMAPS: LMFA01020173 |
| C16H32O2 | 256.24023 | 0.679 | 13-Methylpentadecanoic acid | KNApSAcK: C00050632 |
| C16H32O2 | 256.24023 | 0.679 | Tetradecyl acetate | HMDB: HMDB0258885 LipidMAPS: LMFA07010331 |
| C16H32O2 | 256.24023 | 0.679 | Trimethyltridecanoic acid | HMDB: HMDB0002396 LipidMAPS: LMFA01020249 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 257.24716 |
| Splash: splash10-0079-5960000000-025109e113abe711708f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 239.20 | 18585 | 18 | 1000 |
| 109.02 | 6103 | 148 | 328 |
| 82.91 | 5979 | 174 | 321 |
| 122.97 | 5820 | 134 | 313 |
| 96.94 | 5677 | 160 | 305 |
| 94.99 | 5039 | 162 | 271 |
| 137.08 | 4979 | 120 | 267 |
| 80.98 | 4964 | 176 | 267 |
| 221.26 | 4654 | 36 | 250 |
| 124.94 | 4527 | 132 | 243 |
| 110.97 | 4343 | 146 | 233 |
| 151.10 | 3276 | 106 | 176 |
| 165.08 | 2500 | 92 | 134 |
| 138.95 | 1884 | 118 | 101 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.211 | [Isoflavanone]-A(1OH)-B(1OH) | Isoflavanone | Dihydrodaidzein |
| 0.111 | [Pterocarpan]-A(1OH)-B(1OH) | Pterocarpan | Demethylmedicarpin |
| 0.083 | [2'-Hydroxychalcone]-A(2OH)-B(1OH) | 2'-Hydroxychalcone | Isoliquiritigenin |
| 0.083 | [2'-Hydroxychalcone]-A(2OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',5'-Trihydroxychalcone |
| 0.083 | [2'-Hydroxychalcone]-A(2OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3'-Trihydroxychalcone |
| 0.080 | [Flavanone]-A(1OH)-B(1OH) | Flavanone | Liquiritigenin |
| 0.059 | [Dihydroflavonol]-A(1OH)-B(none) | Dihydroflavonol | 3,7-dihydroxyflavanone |
| 0.045 | [2'-Hydroxychalcone]-A(3OH)-B(none) | 2'-Hydroxychalcone | 2',4',6'-Trihydroxychalcone |
| 0.043 | [Flavanone]-A(2OH)-B(none) | Flavanone | Pinocembrin |
| 0.040 | [2'-Hydroxychalcone]-A(1OH)-B(2OH) | 2'-Hydroxychalcone | 3,4,2'-Trihydroxychalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(none) | Dihydrochalcone | 2'-Hydroxy-4'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(none) | Dihydrochalcone | 2'-Methoxy-4'-hydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(none)-B(1OH, 1OMe) | Dihydrochalcone | 2-Methoxy-4-hydroxydihydrochalcone |
| 0.000 | [Aurone]-A(none)-B(1Cl) | Aurone | 4'-Chloroaurone |
| 0.000 | [UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone]-A(1OMe)-B(none) | UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone | Lucidone |
| 0.000 | [Flavan]-A(1OH)-B(1OMe) | Flavan | Broussin |
| 0.000 | [Flavan]-A(1OMe)-B(1OH) | Flavan | 4'-Hydroxy-7-methoxyflavan |
| 0.000 | [Flavan]-A(1OH, 1Methyl)-B(1OH) | Flavan | 7,4'-Dihydroxy-8-methylflavan |
| 0.000 | [Flavan]-A(1OH, 1OMe)-B(none) | Flavan | 7-Hydroxy-5-methoxyflavan |
| 0.000 | [isoflavene]-A(1OH)-B(2OH) | isoflavene | Haginin D |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(1OH, 1OMe) | 2-Phenylbenzofuran | 6-Demethylvignafuran |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(1OH, 1OMe) | 2-Phenylbenzofuran | Centrolobofuran |
| 0.000 | [Dalbergiquinol]-A(2OH, 1OMe)-B(none) | Dalbergiquinol | Obtusaquinol |
| Level: 3, プリカーサーm/z: 239.20287 |
| Splash: splash10-05gl-7910000000-213721480f640ca9b5ca |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 109.09 | 825 | 130 | 1000 |
| 95.00 | 813 | 144 | 985 |
| 123.05 | 760 | 116 | 920 |
| 80.84 | 668 | 158 | 809 |
| 221.22 | 586 | 18 | 709 |
| 97.08 | 518 | 142 | 628 |
| 82.94 | 487 | 156 | 590 |
| 137.11 | 404 | 102 | 490 |
| 151.10 | 289 | 88 | 349 |
| 165.10 | 281 | 74 | 340 |
| 111.04 | 265 | 128 | 321 |
| 125.00 | 247 | 114 | 299 |
| 78.93 | 178 | 160 | 216 |
| 70.76 | 101 | 168 | 122 |
| 138.96 | 94 | 100 | 114 |
| 84.99 | 89 | 154 | 108 |
| 157.02 | 88 | 82 | 107 |
| 179.06 | 82 | 60 | 99 |
| 141.44 | 58 | 98 | 70 |
| 98.96 | 51 | 140 | 61 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.111 | [Flavone]-A(1OH)-B(none) | Flavone | Primuletin |
| 0.071 | [Flavone]-A(none)-B(1OH) | Flavone | 2'-Hydroxyflavone |
| 0.071 | [Chalcone]-A(1OMe)-B(none) | Chalcone | 4'-Methoxychalcone |
| 0.000 | [Aurone]-A(none)-B(1OH) | Aurone | 2'-Hydroxyaurone |