ピーク情報
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パセリ 根
pos
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| Peak #9699 MN MID: SE61_S24_M90 |
| m/z: 273.14839, RT: 97.21, 強度: 2610, ログ強度: -0.08, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (48 names) Acetoxydiplophyllin;[3aS-(3aalpha,8abeta,9beta,9aalpha)]-9-(Acetyloxy)-3a,4,6,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one;Phomentrioloxin B;Oudemansin A;Lappalone;[3aR... |
| DBごとのヒット数: ALL 37 KG 4 KN 31 HM 1 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.200, 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 |
|---|---|---|---|---|
| C17H22O4 | 290.15181 | -0.466 | Phomentrioloxin B | KNApSAcK: C00053675 |
| C17H22O4 | 290.15181 | -0.466 | Acetoxydiplophyllin | KNApSAcK: C00012922 |
| C17H22O4 | 290.15181 | -0.466 | (-)-Odemasin A | HMDB: HMDB0039949 KNApSAcK: C00018254 |
| C17H22O4 | 290.15181 | -0.466 | Lappalone | KNApSAcK: C00051202 |
| C17H22O4 | 290.15181 | -0.466 | [3aR-(3aR*,5Z,9E,11aS*)]-6-[(Acetyloxy)methyl]-3a,4,7,8,11,11a-hexahydro-10-methyl-3-methylenecyclodeca[b]furan-2(3H)-one | KNApSAcK: C00012387 |
| C17H22O4 | 290.15181 | -0.466 | Ivangustin acatate | KNApSAcK: C00022683 |
| C17H22O4 | 290.15181 | -0.466 | [1aS-(1aalpha,4alpha,4aalpha,5alpha,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-ol acetate | KNApSAcK: C00017391 |
| C17H22O4 | 290.15181 | -0.466 | Laevinone A | KNApSAcK: C00042660 |
| C17H22O4 | 290.15181 | -0.466 | [3aS-(3aalpha,5abeta,7alpha,9balpha)]-7-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one | KNApSAcK: C00013043 |
| C17H22O4 | 290.15181 | -0.466 | 3-Polyprenyl-4,5-dihydroxybenzoate | HMDB: HMDB0060380 |
| C17H22O4 | 290.15181 | -0.466 | 6-Dehydrogingerdione | HMDB: HMDB0029474 KNApSAcK: C00035470, C00047685 |
| C17H22O4 | 290.15181 | -0.466 | 3beta-Acetoxy-desoxo-achalensolide | KNApSAcK: C00021018 |
| C17H22O4 | 290.15181 | -0.466 | Subexpinnatin C | KNApSAcK: C00021053 |
| C17H22O4 | 290.15181 | -0.466 | 6-Isobutyryl-5,7-dimethoxy-2,2-dimethylbenzopyran | KNApSAcK: C00050741 |
| C17H22O4 | 290.15181 | -0.466 | Tulipinolide | HMDB: HMDB0303566 KEGG: C09564, C09566 KNApSAcK: C00003378, C00003379, C00041308 |
| C17H22O4 | 290.15181 | -0.466 | Novanin | KNApSAcK: C00012185 |
| C17H22O4 | 290.15181 | -0.466 | 3beta-Acetoxy-5,11(13)-guaiadien-12,8alpha-olide | KNApSAcK: C00020917 |
| C17H22O4 | 290.15181 | -0.466 | Dihydrodecompositine | KNApSAcK: C00017412 |
| C17H22O4 | 290.15181 | -0.466 | Pycnanthuquinone C | KNApSAcK: C00040122 |
| C17H22O4 | 290.15181 | -0.466 | 9-oxo-12S-acetoxy-2,3,4,5-tetranor-7Z,10Z,14Z-prostatetrienaldehyde-cyclo[8,12] | LipidMAPS: LMFA03120025, LMFA03120026 |
| C17H22O4 | 290.15181 | -0.466 | Puberolide | KNApSAcK: C00020884 |
| C17H22O4 | 290.15181 | -0.466 | 1-Dehydro-[6]-gingerdione | HMDB: HMDB0302134 KEGG: C17746 |
| C17H22O4 | 290.15181 | -0.466 | 15-Acetoxy-11beta,13-dihydroziniolide | KNApSAcK: C00021023 |
| C17H22O4 | 290.15181 | -0.466 | 1-Dehydro-[6]-gingerdione | HMDB: HMDB0302131 |
| C17H22O4 | 290.15181 | -0.466 | beta-Cyclotulipinolide | KNApSAcK: C00013057 |
| C17H22O4 | 290.15181 | -0.466 | Cinnamacrin A | KNApSAcK: C00038773 |
| C17H22O4 | 290.15181 | -0.466 | 3-(Acetyloxy)-5-(1,5-dimethyl-4-hexenyl)-2-methyl-2,5-cyclohexadiene-1,4-dione | KNApSAcK: C00011688 |
| C17H22O4 | 290.15181 | -0.466 | Epitulipdienolide | KNApSAcK: C00012037 |
| C17H22O4 | 290.15181 | -0.466 | Madolin D | KNApSAcK: C00050152 |
| C17H22O4 | 290.15181 | -0.466 | 3beta-Acetoxy-1(5),11(13)-guaiadien-12,8alpha-olide | KNApSAcK: C00020916 |
| C17H22O4 | 290.15181 | -0.466 | Chermesinone A | KNApSAcK: C00052948 |
| C17H22O4 | 290.15181 | -0.466 | Laurenobiolide | HMDB: HMDB0036771, HMDB0302705 KEGG: C09492 KNApSAcK: C00003314 |
| C17H22O4 | 290.15181 | -0.466 | Acetylivalin | KNApSAcK: C00021695 |
| C17H22O4 | 290.15181 | -0.466 | Phomentrioloxin C | KNApSAcK: C00053676 |
| C17H22O4 | 290.15181 | -0.466 | [3aS-(3aalpha,5beta,5abeta,9balpha)]-5-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one | KNApSAcK: C00013048 |
| C17H22O4 | 290.15181 | -0.466 | [3aR-(3aalpha,4aalpha,8abeta,9aalpha)]- 5-[(Acetyloxy)methyl]-3a,4,4a,7,8,8a,9,9a-octahydro-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one | KNApSAcK: C00012924 |
| C17H22O4 | 290.15181 | -0.466 | Nardosinanol F | KNApSAcK: C00039827 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 273.14850 |
| Splash: splash10-0udi-0090000000-4e6cdb46fc691c8ffc33 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 202.03 | 3646 | 71 | 1000 |
| 255.22 | 233 | 18 | 63 |
| 203.08 | 198 | 70 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
| 0.182 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
| 0.182 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
| 0.182 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,8,4'-Trihydroxyflavanone |
| 0.182 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,2'-Trihydroxyflavanone |
| 0.182 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,3'-Trihydroxyflavanone |
| 0.182 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | Naringenin |
| 0.167 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
| 0.167 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
| 0.154 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
| 0.154 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
| 0.154 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
| 0.154 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
| 0.143 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
| 0.143 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
| 0.143 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
| 0.091 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
| 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 | [Pterocarpan]-A(2OH)-B(1OH) | Pterocarpan | 4-Hydroxydemethylmedicarpin |
| 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 |