ピーク情報
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（しょうが類） しょうが 根茎 生
pos
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| Peak #10663 MN MID: SE115_S061031_M90 |
| m/z: 789.55381, RT: 87.50, 強度: 31423, ログ強度: 1.02, アダクト: [2M+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) MG(20:4(5Z,8Z,11Z,14Z)-OH(16R)/0:0/0:0);24-nor-3alpha,7alpha,16alpha-trihydroxy-5beta-cholan-23-oic acid;MG(0:0/20:3(8Z,11Z,14Z)-O(5,6)/0:0);Tylactone;Protylonolide;MG(0:0/20:4(5Z,7E,11Z,14Z)-OH(9)/0:... |
| DBごとのヒット数: ALL 35 KG 1 KN 2 HM 27 LM 5 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.118 |
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 |
|---|---|---|---|---|
| C23H38O5 | 394.27192 | 3.406 | MG(20:4(5Z,8Z,11Z,14Z)-OH(16R)/0:0/0:0) | HMDB: HMDB0260472 |
| C23H38O5 | 394.27192 | 3.406 | 24-nor-3alpha,7alpha,16alpha-trihydroxy-5beta-cholan-23-oic acid | LipidMAPS: LMST04060029 |
| C23H38O5 | 394.27192 | 3.406 | MG(0:0/20:3(8Z,11Z,14Z)-O(5,6)/0:0) | HMDB: HMDB0260516 |
| C23H38O5 | 394.27192 | 3.406 | Tylactone | KEGG: C12000 |
| C23H38O5 | 394.27192 | 3.406 | MG(0:0/20:4(5Z,7E,11Z,14Z)-OH(9)/0:0) | HMDB: HMDB0260526 |
| C23H38O5 | 394.27192 | 3.406 | MG(20:4(6E,8Z,11Z,14Z)-OH(5S)/0:0/0:0) | HMDB: HMDB0260466 |
| C23H38O5 | 394.27192 | 3.406 | MG(20:3(5Z,11Z,14Z)-O(8,9)/0:0/0:0) | HMDB: HMDB0260463 |
| C23H38O5 | 394.27192 | 3.406 | 1-(2S-methoxy-12-methyloctadeca-7Z,17-dien-5-ynoyl)-sn-glycerol | LipidMAPS: LMGP01050151 |
| C23H38O5 | 394.27192 | 3.406 | gemeprost | HMDB: HMDB0252671 |
| C23H38O5 | 394.27192 | 3.406 | MG(20:4(5Z,8Z,11Z,14Z)-OH(19S)/0:0/0:0) | HMDB: HMDB0260467 |
| C23H38O5 | 394.27192 | 3.406 | MG(20:4(5Z,8Z,11Z,14Z)-OH(18R)/0:0/0:0) | HMDB: HMDB0260470 |
| C23H38O5 | 394.27192 | 3.406 | MG(0:0/20:4(5Z,8Z,11Z,14Z)-OH(19S)/0:0) | HMDB: HMDB0260519 |
| C23H38O5 | 394.27192 | 3.406 | MG(20:3(5Z,8Z,11Z)-O(14R,15S)/0:0/0:0) | HMDB: HMDB0260445 |
| C23H38O5 | 394.27192 | 3.406 | Norcholic acid | HMDB: HMDB0255727 LipidMAPS: LMST04060019 |
| C23H38O5 | 394.27192 | 3.406 | MG(20:3(5Z,8Z,14Z)-O(11S,12R)/0:0/0:0) | HMDB: HMDB0260446 |
| C23H38O5 | 394.27192 | 3.406 | MG(0:0/20:4(5Z,8Z,10E,14Z)-OH(12S)/0:0) | HMDB: HMDB0260524 LipidMAPS: LMGL01010031 |
| C23H38O5 | 394.27192 | 3.406 | MG(0:0/20:4(6E,8Z,11Z,14Z)-OH(5S)/0:0) | HMDB: HMDB0260518 |
| C23H38O5 | 394.27192 | 3.406 | MG(20:4(5Z,8Z,11Z,14Z)-OH(17)/0:0/0:0) | HMDB: HMDB0260471 |
| C23H38O5 | 394.27192 | 3.406 | MG(20:4(5Z,8Z,11Z,14Z)-OH(20)/0:0/0:0) | HMDB: HMDB0260465 |
| C23H38O5 | 394.27192 | 3.406 | MG(0:0/20:4(5E,8Z,12Z,14Z)-OH(11R)/0:0) | HMDB: HMDB0012530, HMDB0260525 |
| C23H38O5 | 394.27192 | 3.406 | MG(20:3(8Z,11Z,14Z)-O(5,6)/0:0/0:0) | HMDB: HMDB0260464 |
| C23H38O5 | 394.27192 | 3.406 | MG(0:0/20:4(5Z,8Z,11Z,14Z)-OH(20)/0:0) | HMDB: HMDB0260517 |
| C23H38O5 | 394.27192 | 3.406 | 2-(14,15-Epoxyeicosatrienoyl) Glycerol | HMDB: HMDB0013651 |
| C23H38O5 | 394.27192 | 3.406 | MG(0:0/20:4(5Z,8Z,11Z,14Z)-OH(18R)/0:0) | HMDB: HMDB0260520 |
| C23H38O5 | 394.27192 | 3.406 | MG(20:4(5Z,8Z,11Z,13E)-OH(15S)/0:0/0:0) | HMDB: HMDB0260473 |
| C23H38O5 | 394.27192 | 3.406 | MG(0:0/20:4(5Z,8Z,11Z,13E)-OH(15S)/0:0) | HMDB: HMDB0260523 LipidMAPS: LMGL01010030 |
| C23H38O5 | 394.27192 | 3.406 | MG(20:4(5Z,8Z,10E,14Z)-OH(12S)/0:0/0:0) | HMDB: HMDB0260474 |
| C23H38O5 | 394.27192 | 3.406 | 24-nor-3alpha,6beta,7beta-trihydroxy-5beta-cholan-23-oic acid | LipidMAPS: LMST04060022, LMST04060025, LMST04060026, LMST04060027 |
| C23H38O5 | 394.27192 | 3.406 | MG(0:0/20:4(5Z,8Z,11Z,14Z)-OH(17)/0:0) | HMDB: HMDB0260521 |
| C23H38O5 | 394.27192 | 3.406 | MG(0:0/20:3(5Z,8Z,14Z)-O(11S,12R)/0:0) | HMDB: HMDB0260514 |
| C23H38O5 | 394.27192 | 3.406 | Pregnacetal | KNApSAcK: C00034168 |
| C23H38O5 | 394.27192 | 3.406 | MG(0:0/20:3(5Z,11Z,14Z)-O(8,9)/0:0) | HMDB: HMDB0260515 |
| C23H38O5 | 394.27192 | 3.406 | MG(20:4(5Z,7E,11Z,14Z)-OH(9)/0:0/0:0) | HMDB: HMDB0260476 |
| C23H38O5 | 394.27192 | 3.406 | MG(20:4(5E,8Z,12Z,14Z)-OH(11R)/0:0/0:0) | HMDB: HMDB0260475 |
| C23H38O5 | 394.27192 | 3.406 | Asbestinin 24 | KNApSAcK: C00041357 |
| C23H38O5 | 394.27192 | 3.406 | MG(0:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)/0:0) | HMDB: HMDB0260522 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 789.55341 |
| Splash: splash10-0007-0006900000-8dd986d2a56b10bb0d71 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 441.38 | 10761 | 348 | 1000 |
| 397.44 | 8083 | 392 | 751 |
| 442.37 | 2300 | 347 | 213 |
| 398.44 | 2041 | 391 | 189 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 441.35553 |
| Splash: splash10-0002-0009000000-dc74f5bc1ce24b82db91 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 397.40 | 6775 | 44 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(3OH) | Flavanone | Kenusanone B |
| 0.000 | [Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(2OH) | Dihydroflavonol | Kushenol L |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | Dihydrochalcone | 3,2',4',6'-Tetrahydroxy-4-methoxy-3',5-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH) | Dihydrochalcone | 3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe, 1(3-Hydroxy-3-methylbutyl)) | Flavanone | 5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone |
| 0.000 | [Flavanone]-A(2([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)) )-B(1OH) | Flavanone | Lonchocarpol E |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH) | Flavanone | 2'',3''-Dihydroxylupinifolin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH) | Flavanone | Dorsmanin H |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Flavanone | Dorsmanin F |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Flavanone | Dorsmanin G |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Flavanone | Abyssinoflavanone V |
| 0.000 | [Flavanone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Flavanone | Abyssinoflavanone VI |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(3OH) | Flavanone | Sophoraflavanone D |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(3OH) | Flavanone | Sophoraflavanone E |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(3OH) | Flavanone | Exiguaflavanone C |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(3OH) | Flavanone | Exiguaflavanone G |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Geranyl)-B(2OH) | Dihydroflavonol | Diplacol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Lavandulyl)-B(2OH) | Dihydroflavonol | Kushenol X |
| 0.000 | [Flavan 3-ol]-A(1OH)-B(3OH) | Flavan 3-ol | 6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(1OH, 1([3,4:@@]-(5,6,7-Trihydroxy-1-oxoisochromene))) | Flavan 3-ol | Amurensisin |
| 0.000 | [12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Hydroxyerythynone |
| Level: 3, プリカーサーm/z: 397.48206 |
| Splash: splash10-001i-0429000000-44224647e4d2e607ccff |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 380.47 | 937 | 17 | 1000 |
| 181.07 | 543 | 216 | 579 |
| 338.39 | 376 | 59 | 401 |
| 217.10 | 359 | 180 | 382 |
| 164.06 | 64 | 233 | 68 |
| 363.35 | 64 | 34 | 68 |
| 146.93 | 64 | 251 | 68 |
| 355.38 | 48 | 42 | 51 |
| 161.22 | 47 | 236 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.118 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe) | 2'-Hydroxychalcone | Glabrachalcone |
| 0.118 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | Ponganone VI |
| 0.118 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | Glychalcone B |
| 0.118 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-3,4,4'-trimethoxychalcone |
| 0.111 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Ponganone IV |
| 0.111 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Glyflavanone B |
| 0.036 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Isoflavone | Elongatin |
| 0.034 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Isoflavone | Pumilaisoflavone D |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Flavone | 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | 2'-Hydroxychalcone | Ovalichalcone A |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Pongagallone B |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 2Methyl) | Flavone | Muxiangrin III |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1OMe) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artoindonesianin S |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artonin L |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | Velloquercetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Flavonol | 8-C-Methylvelloquercetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavonol | 3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 2OMe) | Isoflavone | 5,4'-Dihydroxy-3',5'-dimethoxy-(5''-Isopropenyldihydrofurano)[2'',3'':7,6]isoflavone |
| 0.000 | [Pterocarpan]-A(2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neoraucarpan |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(1OH, 1OMe) | Rotenone | 3-O-Demethylamorphigenin |
| 0.000 | [Rotenone]-A(1OH, 1(C-Prenyl))-B(2OMe) | Rotenone | Rotenonic acid |
| 0.000 | [4-Benzoylchroman]-A(2OMe)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | 4-Benzoylchroman | Rotenol |