ピーク情報
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（ふき類） ふきのとう 花序 生
pos
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| Peak #18291 MN MID: SE114_S062581_M90 |
| m/z: 413.17297, RT: 100.18, 強度: 57352, ログ強度: 1.28, アダクト: [M+K]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (78 names) Phanginin D;(+)-Phanginin D;Kuhistanicaol G;(-)-Kuhistanicaol G;12-Hydroxytauranin;(-)-12-Hydroxytauranin;Cascarillin C;(-)-Cascarillin C;Ethylrosmanol;Macrophorin B;[4aS-[4aalpha,5alpha,6beta,7alpha(... |
| DBごとのヒット数: ALL 55 KG 1 KN 43 HM 5 LM 6 |
| FlavonoidSearch最大スコア MS2: -, 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 |
|---|---|---|---|---|
| C22H30O5 | 374.20932 | 1.303 | Phanginin D | KNApSAcK: C00034124 |
| C22H30O5 | 374.20932 | 1.303 | Kuhistanicaol G | KNApSAcK: C00037402 |
| C22H30O5 | 374.20932 | 1.303 | 12-Hydroxytauranin | KNApSAcK: C00038145 |
| C22H30O5 | 374.20932 | 1.303 | Cascarillin C | KNApSAcK: C00036882 |
| C22H30O5 | 374.20932 | 1.303 | Ethylrosmanol | HMDB: HMDB0303483 KNApSAcK: C00044167 |
| C22H30O5 | 374.20932 | 1.303 | Macrophorin B | HMDB: HMDB0030456 |
| C22H30O5 | 374.20932 | 1.303 | [4aS-[4aalpha,5alpha,6beta,7alpha(Z),8abeta]]- 6-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-7-yl ester 2-methyl-2-butenoic acid | KNApSAcK: C00017342 |
| C22H30O5 | 374.20932 | 1.303 | 12-Deoxy-7,7-dimethoxy-6-ketoroyleanone | KNApSAcK: C00038139 |
| C22H30O5 | 374.20932 | 1.303 | Tenuferidin | KNApSAcK: C00020366 |
| C22H30O5 | 374.20932 | 1.303 | A-Methapred | HMDB: HMDB0015094, HMDB0247029 LipidMAPS: LMST02030158, LMST02030178 |
| C22H30O5 | 374.20932 | 1.303 | Sequoiatone B | KNApSAcK: C00034236 |
| C22H30O5 | 374.20932 | 1.303 | Excisusin E | KNApSAcK: C00039202 |
| C22H30O5 | 374.20932 | 1.303 | Ferugin | KNApSAcK: C00021399 |
| C22H30O5 | 374.20932 | 1.303 | [4aS-(4aalpha,5alpha,6beta,7alpha,8abeta)]- 6-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-7-yl ester 3-methyl-2-butenoic acid | KNApSAcK: C00017343 |
| C22H30O5 | 374.20932 | 1.303 | Nasimalun B | KNApSAcK: C00046833 |
| C22H30O5 | 374.20932 | 1.303 | Lobophytol acetate | KNApSAcK: C00042705 |
| C22H30O5 | 374.20932 | 1.303 | 17-oxo-7S,8R-dihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid | LipidMAPS: LMFA04030010 |
| C22H30O5 | 374.20932 | 1.303 | Akiferidin | KNApSAcK: C00021387 |
| C22H30O5 | 374.20932 | 1.303 | Sequoiatone C | KNApSAcK: C00046397 |
| C22H30O5 | 374.20932 | 1.303 | Durumolide B | KNApSAcK: C00048696 |
| C22H30O5 | 374.20932 | 1.303 | 7alpha-Acetoxyhebemacrophyllide | KNApSAcK: C00022182, C00022183 |
| C22H30O5 | 374.20932 | 1.303 | 24-dinor-3-oxo,7alpha,12alpha-dihydroxy-chola-1,4-dien-22-oic acid | LipidMAPS: LMST04050017 |
| C22H30O5 | 374.20932 | 1.303 | Divinatorin C | KNApSAcK: C00044725 |
| C22H30O5 | 374.20932 | 1.303 | Cicaprost | HMDB: HMDB0250231 |
| C22H30O5 | 374.20932 | 1.303 | Kadangustin K | KNApSAcK: C00039520 |
| C22H30O5 | 374.20932 | 1.303 | 6beta-Acetoxyfuranoeremophilan-3alpha-yl angelate | KNApSAcK: C00017351, C00017352 |
| C22H30O5 | 374.20932 | 1.303 | Claviridic acid A | KNApSAcK: C00048660 |
| C22H30O5 | 374.20932 | 1.303 | 11,12-Dimethylrosmanol | HMDB: HMDB0040525 |
| C22H30O5 | 374.20932 | 1.303 | 13-Acetoxysarcocrassolide | KNApSAcK: C00046558 |
| C22H30O5 | 374.20932 | 1.303 | Spiramacetal | KNApSAcK: C00024969 |
| C22H30O5 | 374.20932 | 1.303 | 11beta-Acetoxy-5alpha-tigloyloxysilphinen-3-one | KNApSAcK: C00021808, C00021809 |
| C22H30O5 | 374.20932 | 1.303 | Deoxyfruticolone | KNApSAcK: C00035293 |
| C22H30O5 | 374.20932 | 1.303 | 6-(p-Hydroxybenzoyl)lancerotriol | KNApSAcK: C00033573 |
| C22H30O5 | 374.20932 | 1.303 | Sarcophytonolide D | KNApSAcK: C00041843 |
| C22H30O5 | 374.20932 | 1.303 | 2,5-Di-O-methylsenecioodontol | KNApSAcK: C00011612 |
| C22H30O5 | 374.20932 | 1.303 | Feruginidin | KNApSAcK: C00021397 |
| C22H30O5 | 374.20932 | 1.303 | 11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid | HMDB: HMDB0011651 LipidMAPS: LMST02030190 |
| C22H30O5 | 374.20932 | 1.303 | Cascarillin D | KNApSAcK: C00036883 |
| C22H30O5 | 374.20932 | 1.303 | (8R,9R,10S,13S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-1,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one | HMDB: HMDB0260171 |
| C22H30O5 | 374.20932 | 1.303 | Jasmolin II | KEGG: C16781 LipidMAPS: LMPR0102060005 |
| C22H30O5 | 374.20932 | 1.303 | [4aS-[4aalpha,5alpha,6alpha(Z),7alpha,8aalpha]]-7-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid | KNApSAcK: C00017340 |
| C22H30O5 | 374.20932 | 1.303 | Asterolaurin F | KNApSAcK: C00047744 |
| C22H30O5 | 374.20932 | 1.303 | 7-Acetylhorminone | HMDB: HMDB0302939 KNApSAcK: C00036020 |
| C22H30O5 | 374.20932 | 1.303 | Cornutin K | KNApSAcK: C00036105 |
| C22H30O5 | 374.20932 | 1.303 | Phanginin C | KNApSAcK: C00034123 |
| C22H30O5 | 374.20932 | 1.303 | 3alpha-Hydroxytauranin | KNApSAcK: C00038246 |
| C22H30O5 | 374.20932 | 1.303 | Gelomulide A | KNApSAcK: C00033858 |
| C22H30O5 | 374.20932 | 1.303 | Cembranolide A | KNApSAcK: C00042359 |
| C22H30O5 | 374.20932 | 1.303 | 9beta,11beta-epoxy-17alpha,21-dihydroxy-16alpha-methylpregn-4-ene-3,20-dione | LipidMAPS: LMST02030239 |
| C22H30O5 | 374.20932 | 1.303 | Inflexarabdonin C | KNApSAcK: C00050828 |
| C22H30O5 | 374.20932 | 1.303 | Crassocolide F | KNApSAcK: C00041460 |
| C22H30O5 | 374.20932 | 1.303 | Rubaferidin | KNApSAcK: C00012071 |
| C22H30O5 | 374.20932 | 1.303 | 7-Hydroxysecoisolariciresinol | HMDB: HMDB0301743 |
| C22H30O5 | 374.20932 | 1.303 | 8-oxo-7S,17S-dihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid | LipidMAPS: LMFA04030009 |
| C22H30O5 | 374.20932 | 1.303 | 6-(p-Hydroxybenzoyl)epoxyjaeschkeanadiol | KNApSAcK: C00021412 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 413.17245 |
| Splash: splash10-03di-0019000000-67272ce443e967cb3615 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 313.00 | 5688 | 100 | 1000 |
| 275.19 | 871 | 138 | 153 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | 5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(C-Prenyl)) | Flavonol | Viscosol |
| 0.000 | [4-substituted Flavan 3-ol (4-(2,3,4-Trihydroxyphenyl))]-A(1OH)-B(2OH) | 4-substituted Flavan 3-ol | 4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(2OMe) | Rotenone | Dihydroamorphigenin |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OMe) | Rotenone | Dalpanol |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1(C-Prenyl))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Hydroxyrot-2'-enonic acid |
| Level: 3, プリカーサーm/z: 275.18768 |
| Splash: splash10-0159-0090000000-f82881c6bf9ccd04d810 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 215.26 | 121 | 60 | 1000 |
| 233.18 | 96 | 42 | 799 |
| 172.92 | 16 | 102 | 132 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Dihydrochalcone]-A(3OH)-B(1OH) | Dihydrochalcone | Phloretin |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(1OH) | Flavan 3-ol | Afzelechin |
| 0.000 | [Flavan 3-ol]-A(1OH)-B(2OH) | Flavan 3-ol | Fisetinidol |
| 0.000 | [Auronol]-A(none)-B(1Cl) | Auronol | 4'-Chloro-2-hydroxyaurone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(1OH) | Dihydrochalcone alpha-ol | 4,2',4',alpha-Tetrahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OH)-B(1OH) | Dihydrochalcone beta-ol | 4,2',4',beta-Tetrahydroxydihydrochalcone |
| 0.000 | [Flavan 4-ol]-A(2OH)-B(1OH) | Flavan 4-ol | Apifero |
| 0.000 | [Flavan 3,4-diol]-A(1OH)-B(1OH) | Flavan 3,4-diol | 3,4,7,4'-Tetrahydroxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(2OH) | Flavan | 5,7,3',4'-Tetrahydroxyflavan |
| Level: 3, プリカーサーm/z: 313.00497 |
| Splash: splash10-004i-0900000000-fec522266535a299a7b9 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 179.06 | 13 | 134 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(1OMe)-B(2OMe) | Flavone | 7,3',4'-Trimethoxyflavone |
| 0.000 | [Flavone]-A(1OMe)-B(2OMe) | Flavone | 7,2',4'-Trimethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(1OMe) | Flavone | 5,6,2'-Trimethoxyflavone |
| 0.000 | [Flavone]-A(1OMe)-B(2OMe) | Flavone | 6,2',3'-Trimethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(1OMe) | Flavone | 5,6,3'-Trimethoxyflavone |
| 0.000 | [Flavone]-A(none)-B(3OMe) | Flavone | 3',4',5'-Trimethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(1OMe) | Flavone | 5,7,2'-Trimethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(1OMe) | Flavone | Apigenin 5,7,4'-trimethyl ether |
| 0.000 | [Flavone]-A(3OMe)-B(none) | Flavone | Baicalein 5,6,7-trimethyl ether |
| 0.000 | [Flavone]-A(3OMe)-B(none) | Flavone | Norwogonin 5,7,8-trimethyl ether |
| 0.000 | [Isoflavone]-A(1OMe)-B(2OMe) | Isoflavone | Cabreuvin |
| 0.000 | [Coumestan]-A(1OH)-B(2OMe) | Coumestan | 3-Hydroxy-8,9-dimethoxycoumestan |
| 0.000 | [Coumestan]-A(1OH)-B(2OMe) | Coumestan | Wairol |
| 0.000 | [Chalcone]-A(none)-B(2OH, 1OMe, 1Formyl, 1Methyl) | Chalcone | 3-Formyl-4,6-dihydroxy-2-methoxy-5-methylchalcone |
| 0.000 | [Chalcone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Chalcone | 3,4-Methylenedioxy-2',4'-dimethoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Formyl, 1Methyl)-B(none) | 2'-Hydroxychalcone | Leridal chalcone |
| 0.000 | [Chalcone]-A(2OMe, 1([@@]-Methylenedioxy))-B(none) | Chalcone | Helilandin A |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Galiposin |
| 0.000 | [UBR-type derivative / 2',6'-Dioxo-3'-enyl-0-hydroxy-type Chalcone]-A(1OMe, 3Methyl)-B(none) | UBR-type derivative / 2',6'-Dioxo-3'-enyl-0-hydroxy-type Chalcone | Desmosdumotin C |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Formyl, 1Methyl)-B(none) | Flavanone | Leridal |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Formyl, 1Methyl)-B(none) | Flavanone | Desmosflavanone II |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Flavone | Prosogerin A |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 6-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH) | Flavone | 5,2'-Dihydroxy-7-methoxy- 6,8-dimethylflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OMe) | Flavone | 8-Demethyleucalyptin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH) | Flavone | Sideroxylin |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH)-B(1([@@]-Methylenedioxy)) | Flavonol | 3-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(none) | Flavonol | Galangin 3,5,7-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(none) | Flavonol | 5,7-Dihydroxy-3-methoxy-6,8-dimethylflavone |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 2Methyl)-B(none) | Flavonol | 3,5-Dihydroxy-7-methoxy-6,8-dimethylflavone |
| 0.000 | [Isoflavone]-A(1OH)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Cuneatin |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Fujikinetin |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Maximaisoflavone E |
| 0.000 | [Isoflavone]-A(1OH, 1OMe, 1Methyl)-B(1OMe) | Isoflavone | 7-Hydroxy-5,4'-dimethoxy-8-methylisoflavone |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH) | Isoflavone | Betavulgarin |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OMe) | Isoflavone | Irisone A |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH) | Isoflavone | Irisolone |
| 0.000 | [UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene]-A(1OMe)-B(1OMe) | UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene | 4-Deoxybryaquinone |
| 0.000 | [Pterocarpene]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpene | 3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene |
| 0.000 | [Pterocarpene]-A(1OMe)-B(2OMe) | Pterocarpene | Bryacarpene 5 |
| 0.000 | [6-Hydroxydehydrorotenone]-A(2OH, 1Methyl)-B(none) | 6-Hydroxydehydrorotenone | Boeravinone B |
| 0.000 | [4-phenylcoumarin]-A(2OMe)-B(1OMe) | 4-phenylcoumarin | 5,7,4'-Trimethoxy-4-phenylcoumarin |
| 0.000 | [CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OMe)-B(1OH, 1OMe) | CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin | 5'-Hydroxy-7,4'-dimethoxy-5,2'-oxido-4-phenylcoumarin |