ピーク情報
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リーフレタスグリーン
pos
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| Peak #9605 MN MID: SE198_S12_M90 |
| m/z: 261.11242, RT: 53.67, 強度: 52374, ログ強度: 1.22, 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: (86 names) Ferreyrantholide;Wyerol;Suberosin epoxide;Neolinderane;(1aR,7R,11aR)-1a,2,3,7,11,11a-Hexahydro-8,11a-dimethyl-5H-7,4-Methenofuro[3,2-c]oxireno[f]oxacycloundecin-5-one;7-Methoxy-5-prenyloxycoumarin;6-(... |
| DBごとのヒット数: ALL 73 KG 6 KN 59 HM 7 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: - |
|
安定同位体ラベル実験で見積もられた原子数:
N: 0
S: 0
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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 |
|---|---|---|---|---|
| C15H16O4 | 260.10486 | 1.086 | Wyerol | HMDB: HMDB0039142 |
| C15H16O4 | 260.10486 | 1.086 | Ferreyrantholide | KNApSAcK: C00021918 |
| C15H16O4 | 260.10486 | 1.086 | Suberosin epoxide | KNApSAcK: C00053803 |
| C15H16O4 | 260.10486 | 1.086 | Neolinderane | KNApSAcK: C00012322, C00012323 |
| C15H16O4 | 260.10486 | 1.086 | 7-Methoxy-5-prenyloxy-coumarin | HMDB: HMDB0032953 KNApSAcK: C00045592 |
| C15H16O4 | 260.10486 | 1.086 | 6-(1-Ethoxyethyl)plumbagin | KNApSAcK: C00032666 |
| C15H16O4 | 260.10486 | 1.086 | 4-Methoxy-3,3',5-trihydroxybibenzyl | KNApSAcK: C00015567 |
| C15H16O4 | 260.10486 | 1.086 | Pertilide | KNApSAcK: C00012376 |
| C15H16O4 | 260.10486 | 1.086 | Celerin | HMDB: HMDB0030110 KNApSAcK: C00054485 |
| C15H16O4 | 260.10486 | 1.086 | Lindenanolide E | KNApSAcK: C00033116 |
| C15H16O4 | 260.10486 | 1.086 | Sterepolide | KNApSAcK: C00021524 |
| C15H16O4 | 260.10486 | 1.086 | Azedararide | KNApSAcK: C00040889 |
| C15H16O4 | 260.10486 | 1.086 | 5,6,9,10-Tetradehydro-1,4:3,14-diepoxy-4-hydroxy-4,5-secofuranoeremophilane | KNApSAcK: C00017453 |
| C15H16O4 | 260.10486 | 1.086 | Anhydromarasmone | HMDB: HMDB0036050 KNApSAcK: C00020317 |
| C15H16O4 | 260.10486 | 1.086 | 8-Deoxylactucin | HMDB: HMDB0301858 KEGG: C09392 KNApSAcK: C00003247 |
| C15H16O4 | 260.10486 | 1.086 | 1beta,10beta-Epoxyfuranoeremophil-1(10)-ene-6,9-dione | KNApSAcK: C00017323 |
| C15H16O4 | 260.10486 | 1.086 | Calodendrolide | KNApSAcK: C00038681 |
| C15H16O4 | 260.10486 | 1.086 | Griesenin | KNApSAcK: C00020341 |
| C15H16O4 | 260.10486 | 1.086 | Hedyosumin A | KNApSAcK: C00039351 |
| C15H16O4 | 260.10486 | 1.086 | Micromarin F | KNApSAcK: C00033197 |
| C15H16O4 | 260.10486 | 1.086 | Heteropeucenin | KNApSAcK: C00036121 |
| C15H16O4 | 260.10486 | 1.086 | Desangelylshairidin | KNApSAcK: C00020814 |
| C15H16O4 | 260.10486 | 1.086 | Capillarol | KNApSAcK: C00000327 |
| C15H16O4 | 260.10486 | 1.086 | Meranzin | HMDB: HMDB0030853 KNApSAcK: C00051533 |
| C15H16O4 | 260.10486 | 1.086 | Linderane | KEGG: C09495 KNApSAcK: C00003317 |
| C15H16O4 | 260.10486 | 1.086 | Echinolactone B | KNApSAcK: C00035301 |
| C15H16O4 | 260.10486 | 1.086 | 2,3-Bis(4-hydroxyphenyl)-1,2-propanediol | KEGG: C13634 |
| C15H16O4 | 260.10486 | 1.086 | Dihydrowyerone | HMDB: HMDB0030948 KNApSAcK: C00054428 |
| C15H16O4 | 260.10486 | 1.086 | Homobaldrinal | KEGG: C16812 |
| C15H16O4 | 260.10486 | 1.086 | Tamarin | KNApSAcK: C00037883 |
| C15H16O4 | 260.10486 | 1.086 | Eminensin A | KNApSAcK: C00042486 |
| C15H16O4 | 260.10486 | 1.086 | (Z)-Suberenol | HMDB: HMDB0030690 KNApSAcK: C00020037 |
| C15H16O4 | 260.10486 | 1.086 | 11,13-Dehydrodesacetylmatricarin | KNApSAcK: C00034361 |
| C15H16O4 | 260.10486 | 1.086 | 14-Hydroxyhypocretenolide | KNApSAcK: C00033528 |
| C15H16O4 | 260.10486 | 1.086 | Kanzonol Q | HMDB: HMDB0041192 |
| C15H16O4 | 260.10486 | 1.086 | 1beta,10beta-Epoxydehydroleucodin | KNApSAcK: C00020617, C00020904 |
| C15H16O4 | 260.10486 | 1.086 | 2,9-Epoxylacta | KNApSAcK: C00021533 |
| C15H16O4 | 260.10486 | 1.086 | 7,8-Dihydroyangonin | HMDB: HMDB0033016 |
| C15H16O4 | 260.10486 | 1.086 | Pergillin | HMDB: HMDB0039592 KNApSAcK: C00048049 |
| C15H16O4 | 260.10486 | 1.086 | Aspergione F | KNApSAcK: C00044550 |
| C15H16O4 | 260.10486 | 1.086 | Maximileolide | KNApSAcK: C00012169 |
| C15H16O4 | 260.10486 | 1.086 | Apigravin | HMDB: HMDB0030578 KNApSAcK: C00054508 |
| C15H16O4 | 260.10486 | 1.086 | 7-Hydroxy-5-isopropyl-2-methoxy-3-methyl-1,4-naphthoquinone | HMDB: HMDB0035254 |
| C15H16O4 | 260.10486 | 1.086 | 11,13-Epoxy-3-ketodehydrocostus-lactone | KNApSAcK: C00042039 |
| C15H16O4 | 260.10486 | 1.086 | 7-(3-Methyl-2-butenyloxy)-6-methoxycoumarin | KNApSAcK: C00044069 |
| C15H16O4 | 260.10486 | 1.086 | Aspergione B | KNApSAcK: C00044546 |
| C15H16O4 | 260.10486 | 1.086 | Chlorantene D | KNApSAcK: C00038748 |
| C15H16O4 | 260.10486 | 1.086 | 9-Hydroxydehydrozaluzanin C | KNApSAcK: C00020823, C00020825 |
| C15H16O4 | 260.10486 | 1.086 | Methyl (2Z,8Z)-10-[(Z)-isobutoyl]oxydeca-2,8-dien-4,6-diynoate | LipidMAPS: LMFA07011193 |
| C15H16O4 | 260.10486 | 1.086 | Porelladiolide | KNApSAcK: C00020842 |
| C15H16O4 | 260.10486 | 1.086 | 3-(1,1-Dimethylallyl)scopoletin | HMDB: HMDB0034133 |
| C15H16O4 | 260.10486 | 1.086 | 3-(3-Hydroxy-3-methyl-trans-but-1-enyl)-7-methoxycoumarin | KNApSAcK: C00019925 |
| C15H16O4 | 260.10486 | 1.086 | Ferupennin O | KNApSAcK: C00045946 |
| C15H16O4 | 260.10486 | 1.086 | Peucenin | KNApSAcK: C00036196 |
| C15H16O4 | 260.10486 | 1.086 | Cyperine | HMDB: HMDB0033771 KEGG: C09923 KNApSAcK: C00002985 |
| C15H16O4 | 260.10486 | 1.086 | [3aS-(3aalpha,9aalpha,9bbeta)]-3,3a,4,5,9a,9b-Hexahydro-9a-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2,7-dione | KNApSAcK: C00020812 |
| C15H16O4 | 260.10486 | 1.086 | 7-Methoxy-6-[(3-methyl-2-butenyl)oxy]coumarin | KNApSAcK: C00020012 |
| C15H16O4 | 260.10486 | 1.086 | Mansorin II | KNApSAcK: C00030734 |
| C15H16O4 | 260.10486 | 1.086 | Merrekentrone C | KNApSAcK: C00046131 |
| C15H16O4 | 260.10486 | 1.086 | Citrusal | HMDB: HMDB0030788 KNApSAcK: C00054444 |
| C15H16O4 | 260.10486 | 1.086 | 3-Hydroxydehydroleucodin | KNApSAcK: C00020903 |
| C15H16O4 | 260.10486 | 1.086 | Murralonginol | KNApSAcK: C00033229 |
| C15H16O4 | 260.10486 | 1.086 | Pleurotellic acid | KNApSAcK: C00021798 |
| C15H16O4 | 260.10486 | 1.086 | 15-Hydroxyhypocretenolide | KNApSAcK: C00033532 |
| C15H16O4 | 260.10486 | 1.086 | Isabelin | KNApSAcK: C00012377 |
| C15H16O4 | 260.10486 | 1.086 | (S)-Auraptenol | HMDB: HMDB0030854 |
| C15H16O4 | 260.10486 | 1.086 | Istanbulin E | KNApSAcK: C00017437 |
| C15H16O4 | 260.10486 | 1.086 | Tristin | KNApSAcK: C00015523 |
| C15H16O4 | 260.10486 | 1.086 | Murraol | KNApSAcK: C00051672 |
| C15H16O4 | 260.10486 | 1.086 | Cedrelopsin | KNApSAcK: C00036889 |
| C15H16O4 | 260.10486 | 1.086 | Brachymeral | KNApSAcK: C00011439 |
| C15H16O4 | 260.10486 | 1.086 | 5,6-Dihydroyangonin | HMDB: HMDB0033015 |
| C15H16O4 | 260.10486 | 1.086 | Hemigossypol | KEGG: C09680 KNApSAcK: C00003143 LipidMAPS: LMPR0103330004 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 261.11221 |
| Splash: splash10-00kf-0190000000-02afe125a2dc028a37f3 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 243.03 | 55742 | 18 | 1000 |
| 215.02 | 30083 | 46 | 539 |
| 197.05 | 9802 | 64 | 175 |
| 225.06 | 6824 | 36 | 122 |
| 187.00 | 4594 | 74 | 82 |
| 233.06 | 3220 | 28 | 57 |
| 169.00 | 2799 | 92 | 50 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 243.02826 |
| Splash: splash10-014i-0590000000-0ae8b92fe7cd9d33dade |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 215.03 | 13823 | 28 | 1000 |
| 187.00 | 4926 | 56 | 356 |
| 197.15 | 4845 | 46 | 350 |
| 225.10 | 4824 | 18 | 348 |
| 169.07 | 1912 | 74 | 138 |
| 200.98 | 1858 | 42 | 134 |
| 173.02 | 814 | 70 | 58 |
| 213.02 | 770 | 30 | 55 |
| 171.09 | 768 | 72 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Isoflavan]-A(1OH)-B(1OH) | Isoflavan | Equol |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(none) | Dihydrochalcone | 2',4'-Dihydroxydihydrochalcone |
| 0.000 | [Flavan]-A(1OH)-B(1OH) | Flavan | 7,4'-Dihydroxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(none) | Flavan | 5,7-Dihydroxyflavan |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(2OH) | 2-Phenylbenzofuran | 6,2',4'-Trihydroxy-2-phenylbenzofuran |