ピーク情報
|
ゼニゴケ Takaragaike-1
pos
|
| Peak #2696 MN MID: SE205_S05_M90 |
| m/z: 363.25289, RT: 84.35, 強度: 1387, ログ強度: -0.26, 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: (61 names) Methyl ent-16-methoxy-6-oxo-7,13E-labdadien-15-oate;7,13-Dihydroxy-8E,10Z,14E,16Z,19Z-docosapentaenoic acid;Chagresnone;(+)-Chagresnone;Vitetrifolin B;(-)-Vitetrifolin B;Xenibecin;(-)-Xenibecin;Semper... |
| DBごとのヒット数: ALL 50 KG 2 KN 32 HM 3 LM 13 |
| FlavonoidSearch最大スコア MS2: 0.048, 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 |
|---|---|---|---|---|
| C22H34O4 | 362.24571 | -0.253 | Methyl ent-16-methoxy-6-oxo-7,13E-labdadien-15-oate | KNApSAcK: C00022504 |
| C22H34O4 | 362.24571 | -0.253 | 7,13-Dihydroxy-8E,10Z,14E,16Z,19Z-docosapentaenoic acid | LipidMAPS: LMFA04000094 |
| C22H34O4 | 362.24571 | -0.253 | Chagresnone | KNApSAcK: C00043385 |
| C22H34O4 | 362.24571 | -0.253 | Xenibecin | KNApSAcK: C00046519 |
| C22H34O4 | 362.24571 | -0.253 | Vitetrifolin B | KNApSAcK: C00038003 |
| C22H34O4 | 362.24571 | -0.253 | Sempervirenic acid | KNApSAcK: C00022463 |
| C22H34O4 | 362.24571 | -0.253 | Viscidic acid B | KNApSAcK: C00022525 |
| C22H34O4 | 362.24571 | -0.253 | LipidMAPS: LMPR0104240006 |
|
| C22H34O4 | 362.24571 | -0.253 | Hydroxyacetyldictyolal | KNApSAcK: C00035654 |
| C22H34O4 | 362.24571 | -0.253 | Cespihypotin Q | KNApSAcK: C00048645 |
| C22H34O4 | 362.24571 | -0.253 | 10beta,14beta-Dihydroxytaxa-4(20),11-dien-5alpha-yl acetate | KEGG: C20151 |
| C22H34O4 | 362.24571 | -0.253 | (+/-)-13,14-dihydroxy-4Z,7Z,10Z,16Z,19Z-docosapentaenoic acid | LipidMAPS: LMFA04000041 |
| C22H34O4 | 362.24571 | -0.253 | Asperdiol acetate | KNApSAcK: C00047737 |
| C22H34O4 | 362.24571 | -0.253 | 10R,17S-dihydroxy-7Z,11E,13E,15Z,19Z-docosapentaenoic acid | LipidMAPS: LMFA04000096 |
| C22H34O4 | 362.24571 | -0.253 | 16R,17S-dihydroxy-7Z,10Z,12E,14E,19Z-docosapentaenoic acid | LipidMAPS: LMFA04000097 |
| C22H34O4 | 362.24571 | -0.253 | Aglatomin B | KNApSAcK: C00038389 |
| C22H34O4 | 362.24571 | -0.253 | 15-O-Acetylcyathatriol | KNApSAcK: C00023691 |
| C22H34O4 | 362.24571 | -0.253 | 11S,17S-dihydroxy-7Z,9E,13Z,15E,19Z-docosapentaenoic acid | LipidMAPS: LMFA04000103 |
| C22H34O4 | 362.24571 | -0.253 | 19,20-DiHDPA | HMDB: HMDB0010214 LipidMAPS: LMFA04000043 |
| C22H34O4 | 362.24571 | -0.253 | 1a,1b-dihomo-9S-hydroxy-11-oxo-5Z,12E,14E-prostatrienoic acid | LipidMAPS: LMFA03010159 |
| C22H34O4 | 362.24571 | -0.253 | Koanoadmantic acid | KNApSAcK: C00022095 |
| C22H34O4 | 362.24571 | -0.253 | Gibberosene D | KNApSAcK: C00039268 |
| C22H34O4 | 362.24571 | -0.253 | (+/-)-7,8-dihydroxy-4Z,10Z,13Z,16Z,19Z-docosapentaenoic acid | LipidMAPS: LMFA04000039 |
| C22H34O4 | 362.24571 | -0.253 | 1a,1b-dihomo-11-oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acid | LipidMAPS: LMFA03010158 |
| C22H34O4 | 362.24571 | -0.253 | 15-Acetoxy-7,13E-labdadien-17-oic acid | KNApSAcK: C00022409 |
| C22H34O4 | 362.24571 | -0.253 | 7R,14S-dihydroxy-8E,10E,12Z,16Z,19Z-docosapentaenoic acid | LipidMAPS: LMFA04000098 |
| C22H34O4 | 362.24571 | -0.253 | Solandelactone E | KNApSAcK: C00048856 |
| C22H34O4 | 362.24571 | -0.253 | (+/-)-10,11-dihydroxy-4Z,7Z,13Z,16Z,19Z-docosapentaenoic acid | LipidMAPS: LMFA04000040 |
| C22H34O4 | 362.24571 | -0.253 | 2beta-Acetoxy-8(17),13E-labdadien-15-oic acid | KNApSAcK: C00022488, C00022489 |
| C22H34O4 | 362.24571 | -0.253 | (Z)-2,4-Dihydroxy-6-(8-pentadecenyl)benzoic acid | HMDB: HMDB0039226 |
| C22H34O4 | 362.24571 | -0.253 | 11-O-Acetylcyathatriol | KNApSAcK: C00023690 |
| C22H34O4 | 362.24571 | -0.253 | 3beta-Hydroxyisoagatholal acetate | KNApSAcK: C00022223 |
| C22H34O4 | 362.24571 | -0.253 | (+/-)-16,17-dihydroxy-4Z,7Z,10Z,13Z,19Z-docosapentaenoic acid | LipidMAPS: LMFA04000042 |
| C22H34O4 | 362.24571 | -0.253 | (5Z,9E,11E,14E)-Ethyl 8-hydroxy-13-oxoicosa-5,9,11,14-tetraenoate | KNApSAcK: C00000428 |
| C22H34O4 | 362.24571 | -0.253 | 18-Acetoxy-cis-cleroda-3,13E-dien-15-oic acid | KNApSAcK: C00038177 |
| C22H34O4 | 362.24571 | -0.253 | 9oxo-15R-hydroxy-16,16-dimethyl-5Z,10Z,13E-prostatrienoic acid | LipidMAPS: LMFA03010086 |
| C22H34O4 | 362.24571 | -0.253 | Solandelactone C | KNApSAcK: C00040328, C00040329 |
| C22H34O4 | 362.24571 | -0.253 | Sidol | KNApSAcK: C00035743 |
| C22H34O4 | 362.24571 | -0.253 | Rotundifuran | KNApSAcK: C00023349 |
| C22H34O4 | 362.24571 | -0.253 | Annoglabasin B | HMDB: HMDB0033398 KNApSAcK: C00049852 |
| C22H34O4 | 362.24571 | -0.253 | Maesanin | KNApSAcK: C00049217 |
| C22H34O4 | 362.24571 | -0.253 | Annosquamosin A | HMDB: HMDB0031137, HMDB0041495 KNApSAcK: C00054666 |
| C22H34O4 | 362.24571 | -0.253 | Chagresnol | KNApSAcK: C00043384 |
| C22H34O4 | 362.24571 | -0.253 | Umbellacin G | KNApSAcK: C00041959 |
| C22H34O4 | 362.24571 | -0.253 | Flaccidoxide | KNApSAcK: C00046742 |
| C22H34O4 | 362.24571 | -0.253 | Dimethyl ent-16alpha-kaurane-17,19-dioate | HMDB: HMDB0036315 |
| C22H34O4 | 362.24571 | -0.253 | Eubol | KNApSAcK: C00047137, C00047230 |
| C22H34O4 | 362.24571 | -0.253 | Di-n-heptyl phthalate | HMDB: HMDB0251285 KEGG: C14575 |
| C22H34O4 | 362.24571 | -0.253 | Lycopersiconolide | HMDB: HMDB0033677 |
| C22H34O4 | 362.24571 | -0.253 | Epoxysiderol | HMDB: HMDB0036704 KNApSAcK: C00047223 |
| C22H34O4 | 362.24571 | -0.253 | 3-Acetoxycopalic acid | KNApSAcK: C00022514, C00036529 |
| C22H34O4 | 362.24571 | -0.253 | (Z)-2-hydroxy-6-(14-hydroxypentadec-8-en-1-yl)benzoic acid | LipidMAPS: LMPK15040007 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 363.25284 |
| Splash: splash10-01q9-0029000000-726eccf87392086e2505 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 331.34 | 1527 | 32 | 1000 |
| 313.21 | 844 | 50 | 552 |
| 267.28 | 285 | 96 | 186 |
| 345.22 | 255 | 18 | 166 |
| 327.35 | 225 | 36 | 147 |
| 295.29 | 176 | 68 | 115 |
| 285.19 | 143 | 78 | 93 |
| 135.07 | 110 | 228 | 72 |
| 239.20 | 106 | 124 | 69 |
| 237.19 | 79 | 126 | 52 |
| 277.34 | 77 | 86 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.048 | [Flavanone]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavanone | 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone |
| 0.038 | [Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | 3,5,7,3',5'-Pentahydroxy-6,4'-dimethoxyflavone |
| 0.038 | [Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 8,3'-dimethyl ether |
| 0.038 | [Flavonol]-A(2OH, 2OMe)-B(2OH) | Flavonol | 3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone |
| 0.000 | [Isoflavan]-A(1OH, 2OMe)-B(1OH, 2OMe) | Isoflavan | Machaerol B |
| 0.000 | [Flavanone]-A(2OH, 1(2-hydroxybenzyl))-B(none) | Flavanone | Isochamanetin |
| 0.000 | [Flavanone]-A(2OH, 1(2-hydroxybenzyl))-B(none) | Flavanone | Chamanetin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH) | Flavonol | 5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH) | Flavonol | 5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH) | Flavonol | 5,8,3',4',5'-Pentahydroxy-3,7-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OH, 1OMe)-B(2OH) | Flavonol | 5,7,8,3',4'-Pentahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavan 3-ol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl)) | Flavan 3-ol | 3,7,8,3',4'-Pentahydroxy-5-methoxyflavan 3-O-acetate |