ピーク情報
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イヌカタヒバ
pos
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| Peak #7453 MN MID: SE205_S02_M90 |
| m/z: 291.19543, RT: 61.31, 強度: 4486, ログ強度: 0.13, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4 |
| DB検索結果: (23 names) 5,6-Epoxyoctadeca-7,9-diynoic acid;12-[1'Z,3'Z-hexadienyloxy]-6Z,9Z,11E-dodecatrienoic acid;8-Hydroxy-13E-octadecen-9,11-diynoic acid;4-oxo-9Z,11Z,13E,15E-octadecatetraenoic acid;ML-236C;Octinoxate;Ec... |
| DBごとのヒット数: ALL 22 KG 2 KN 8 HM 2 LM 10 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.094 |
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 |
|---|---|---|---|---|
| C18H26O3 | 290.18819 | -0.126 | 5,6-Epoxyoctadeca-7,9-diynoic acid | LipidMAPS: LMFA01070030 |
| C18H26O3 | 290.18819 | -0.126 | 12-[1'Z,3'Z-hexadienyloxy]-6Z,9Z,11E-dodecatrienoic acid | LipidMAPS: LMFA10000005 |
| C18H26O3 | 290.18819 | -0.126 | 8-Hydroxy-13E-octadecen-9,11-diynoic acid | LipidMAPS: LMFA01031027, LMFA02000199 |
| C18H26O3 | 290.18819 | -0.126 | (9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid | HMDB: HMDB0031098 LipidMAPS: LMFA02000270, LMFA02000293 |
| C18H26O3 | 290.18819 | -0.126 | Octinoxate | HMDB: HMDB0061861, HMDB0255909 |
| C18H26O3 | 290.18819 | -0.126 | ML-236C | KEGG: C14043 KNApSAcK: C00018117 |
| C18H26O3 | 290.18819 | -0.126 | Ecklonialactone A | KNApSAcK: C00000410 |
| C18H26O3 | 290.18819 | -0.126 | 2-Methoxy-3-phenylundec-2-enoic acid | HMDB: HMDB0257874 |
| C18H26O3 | 290.18819 | -0.126 | Deoxy phytoprostane J1 | KNApSAcK: C00037032 LipidMAPS: LMFA02010025 |
| C18H26O3 | 290.18819 | -0.126 | 9,17-Octadecadiene-12,14-diyne-1,11,16-triol | KNApSAcK: C00029608 |
| C18H26O3 | 290.18819 | -0.126 | LipidMAPS: LMFA07040130 |
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| C18H26O3 | 290.18819 | -0.126 | Methyl [6]-Shogaol | KNApSAcK: C00035688 |
| C18H26O3 | 290.18819 | -0.126 | Tanzawaic acid E | KNApSAcK: C00037885 |
| C18H26O3 | 290.18819 | -0.126 | 8-Oxo-10,12-octadecadiynoic acid | LipidMAPS: LMFA01060210 |
| C18H26O3 | 290.18819 | -0.126 | 8-Hydroxy-1-methoxy-Z-9-heptadecene-4,6-diyn-3-one | KNApSAcK: C00041295 |
| C18H26O3 | 290.18819 | -0.126 | Deoxyphytoprostane J1-II | KNApSAcK: C00054804 |
| C18H26O3 | 290.18819 | -0.126 | 8-hydroxy-17-octadecene-10,12-diynoic acid | LipidMAPS: LMFA02000201 |
| C18H26O3 | 290.18819 | -0.126 | 8-Acetoxy-3-methoxycalamenene | KNApSAcK: C00020176 |
| C18H26O3 | 290.18819 | -0.126 | 8-hydroxy-17-octadecene-9,11-diynoic acid | LipidMAPS: LMFA02000200 |
| C18H26O3 | 290.18819 | -0.126 | 8-oxo-9,11-octadecadiynoic acid | LipidMAPS: LMFA02000271 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 291.19553 |
| Splash: splash10-01b9-0970000000-f470e11c27cb94295a9a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 166.98 | 900 | 124 | 1000 |
| 273.21 | 516 | 18 | 573 |
| 233.17 | 146 | 58 | 162 |
| 197.19 | 138 | 94 | 153 |
| 276.19 | 99 | 15 | 110 |
| 173.10 | 88 | 118 | 97 |
| 263.33 | 86 | 28 | 96 |
| 215.10 | 86 | 76 | 95 |
| 191.08 | 68 | 100 | 75 |
| 249.18 | 66 | 42 | 72 |
| 175.11 | 55 | 116 | 60 |
| 149.03 | 53 | 142 | 59 |
| 255.33 | 53 | 36 | 58 |
| 231.23 | 53 | 60 | 58 |
| 213.18 | 51 | 78 | 57 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.053 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | Mesquitol |
| 0.053 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | 2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol |
| 0.053 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | 3,5,7,3',5'-Pentahydroxyflavan |
| 0.053 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | Catechin |
| 0.053 | [Flavan 3-ol]-A(1OH)-B(3OH) | Flavan 3-ol | Robinetinidol |
| 0.000 | [Dihydrochalcone]-A(3OH)-B(2OH) | Dihydrochalcone | 3,4,2',4',6'-Pentahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(3OH)-B(1OH) | Dihydrochalcone alpha-ol | Nubigenol |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(2OH) | Dihydrochalcone alpha-ol | 3,4,2',4',alpha-Pentahydroxydihydrochalcone |
| 0.000 | [Flavan 4-ol]-A(2OH)-B(2OH) | Flavan 4-ol | Luteoforol |
| 0.000 | [Flavan 3,4-diol]-A(1OH)-B(2OH) | Flavan 3,4-diol | 3,4,7,3',4'-Pentahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH) | Flavan 3,4-diol | 3,4,7,8,4'-Pentahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH) | Flavan 3,4-diol | 3,4,5,7,4'-Pentahydroxyflavan |
| Level: 3, プリカーサーm/z: 166.98338 |
| Splash: splash10-00di-1900000000-fa676841217bee8bb268 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 121.04 | 313 | 46 | 1000 |
| 149.04 | 74 | 18 | 237 |
| 92.85 | 57 | 74 | 181 |
| 106.93 | 31 | 60 | 99 |
| 109.28 | 20 | 58 | 63 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 273.21082 |
| Splash: splash10-0bt9-0390000000-1303583e4482e00f0e3f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 255.25 | 86 | 18 | 1000 |
| 215.10 | 35 | 58 | 410 |
| 173.10 | 24 | 100 | 284 |
| 227.10 | 24 | 46 | 275 |
| 245.21 | 23 | 28 | 268 |
| 204.98 | 21 | 68 | 246 |
| 111.12 | 15 | 162 | 176 |
| 164.58 | 15 | 109 | 171 |
| 213.13 | 14 | 60 | 160 |
| 199.07 | 12 | 74 | 144 |
| 185.41 | 11 | 88 | 130 |
| 113.14 | 10 | 160 | 117 |
| 217.39 | 10 | 56 | 116 |
| 229.03 | 10 | 44 | 115 |
| 86.76 | 10 | 186 | 114 |
| 237.28 | 9 | 36 | 101 |
| 221.95 | 8 | 51 | 96 |
| 189.20 | 8 | 84 | 91 |
| 142.74 | 7 | 130 | 85 |
| 231.29 | 7 | 42 | 76 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.160 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
| 0.103 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
| 0.103 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
| 0.103 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
| 0.103 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
| 0.100 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
| 0.100 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
| 0.091 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
| 0.091 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
| 0.042 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
| 0.040 | [Pterocarpan]-A(2OH)-B(1OH) | Pterocarpan | 4-Hydroxydemethylmedicarpin |
| 0.036 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
| 0.034 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
| 0.034 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
| 0.034 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,8,4'-Trihydroxyflavanone |
| 0.034 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,2'-Trihydroxyflavanone |
| 0.034 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,3'-Trihydroxyflavanone |
| 0.034 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | Naringenin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Vestitol |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Isovestitol |
| 0.000 | [Isoflavan]-A(1OMe)-B(2OH) | Isoflavan | Neovestitol |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | Uvangoletin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | Loureirin C |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | 2,4'-Dihydroxy-4-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone | 4'-O-Methyldavidigenin |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Licodione |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',4',6',beta-Tetrahydroxychalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1Methyl)-B(none) | Dihydrochalcone | 3'-Methyl-2',4',6'-trihydroxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(none) | 2-Hydroxyflavanone | 2,5,7-Trihydroxyflavanone (2beta) |
| 0.000 | [Flavan]-A(1OMe)-B(2OH) | Flavan | 3',4'-Dihydroxy-7-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,4'-Dihydroxy-3'-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,3'-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(1OMe) | Flavan | 5,7-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH) | Pterocarpan-6a-ol | Glycinol |
| 0.000 | [alpha-Methyldeoxybenzoin]-A(2OH)-B(1OMe) | alpha-Methyldeoxybenzoin | Angolensin |