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 #1456 MN MID: SE198_S12_M90 |
| m/z: 385.12842, RT: 23.16, 強度: 2115, ログ強度: -0.17, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (59 names) Piperenol B;(+)-7'-episesantalin;5,7,3',4'-Tetrahydroxy-3-methoxy-6-prenylflavone;Ophiopogonanone D;(-)-Ophiopogonanone D;4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]fla... |
| DBごとのヒット数: ALL 52 KG 3 KN 41 HM 6 LM 2 |
| 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: 6
S: 1
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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 |
|---|---|---|---|---|
| C21H20O7 | 384.12090 | 0.621 | Kweichowenol B | HMDB: HMDB0039617 KNApSAcK: C00051180 |
| C21H20O7 | 384.12090 | 0.621 | (+)-7'-episesantalin | KNApSAcK: C00058819 |
| C21H20O7 | 384.12090 | 0.621 | 5,7,3',4'-Tetrahydroxy-3-methoxy-6-prenylflavone | FlavonoidViewer: FL5FDCNI0002 KNApSAcK: C00005015 LipidMAPS: LMPK12112719 |
| C21H20O7 | 384.12090 | 0.621 | Ophiopogonanone D | KNApSAcK: C00046243 |
| C21H20O7 | 384.12090 | 0.621 | 4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone | FlavonoidViewer: FL5FACNP0001 KNApSAcK: C00005081 LipidMAPS: LMPK12112293 |
| C21H20O7 | 384.12090 | 0.621 | Dehydrotrichostin | HMDB: HMDB0038950 KNApSAcK: C00054897 |
| C21H20O7 | 384.12090 | 0.621 | Sophoronol | FlavonoidViewer: FLIBHXNP0001 KNApSAcK: C00009973 LipidMAPS: LMPK12050509 |
| C21H20O7 | 384.12090 | 0.621 | (2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone | FlavonoidViewer: FL4DALNP0001 KNApSAcK: C00008635 |
| C21H20O7 | 384.12090 | 0.621 | Aristelegin A | KNApSAcK: C00045652 |
| C21H20O7 | 384.12090 | 0.621 | Isopiscerythrone | KNApSAcK: C00019390 |
| C21H20O7 | 384.12090 | 0.621 | 4'-Demethyldeoxypodophyllotoxin | KEGG: C10552 KNApSAcK: C00002594 |
| C21H20O7 | 384.12090 | 0.621 | Secundiflorol B | KNApSAcK: C00018919 |
| C21H20O7 | 384.12090 | 0.621 | buddlenol E | HMDB: HMDB0304583 |
| C21H20O7 | 384.12090 | 0.621 | Isognaphalin 8-butyrate | FlavonoidViewer: FL5FF9NS0015 KNApSAcK: C00004920 LipidMAPS: LMPK12113102 |
| C21H20O7 | 384.12090 | 0.621 | Anagyroidisoflavone A | KNApSAcK: C00019517 |
| C21H20O7 | 384.12090 | 0.621 | Licofuranocoumarin | HMDB: HMDB0036281 KNApSAcK: C00018989 |
| C21H20O7 | 384.12090 | 0.621 | Sesangolin | KNApSAcK: C00058820 |
| C21H20O7 | 384.12090 | 0.621 | Artocarpone A | KNApSAcK: C00029725 |
| C21H20O7 | 384.12090 | 0.621 | Uralene | FlavonoidViewer: FL5F9ANI0001 HMDB: HMDB0040934 KNApSAcK: C00005030 LipidMAPS: LMPK12111615 |
| C21H20O7 | 384.12090 | 0.621 | Piscidone | KNApSAcK: C00009511 |
| C21H20O7 | 384.12090 | 0.621 | Flavescenone A | KNApSAcK: C00037154 |
| C21H20O7 | 384.12090 | 0.621 | Erythgenin | KNApSAcK: C00020452 |
| C21H20O7 | 384.12090 | 0.621 | (2,4-cis)-3',4-Methylenedioxy-4,5,8-trimethoxy-[2'',3'':7,6]-furanoflavan | KNApSAcK: C00019482 |
| C21H20O7 | 384.12090 | 0.621 | Gancaonin P 3'methyl ether | FlavonoidViewer: FL5FADNI0001 HMDB: HMDB0040813 KNApSAcK: C00005013 LipidMAPS: LMPK12112394 |
| C21H20O7 | 384.12090 | 0.621 | (+)-Zeylenol | HMDB: HMDB0029541 KNApSAcK: C00036322, C00049021 |
| C21H20O7 | 384.12090 | 0.621 | Eriotrinol | FlavonoidViewer: FL4DADNP0001 KNApSAcK: C00008639 |
| C21H20O7 | 384.12090 | 0.621 | Isolicopyranocoumarin | HMDB: HMDB0035479 |
| C21H20O7 | 384.12090 | 0.621 | 3,5,7-Trihydroxy-8-methoxy-4'-prenyloxyflavone | FlavonoidViewer: FL5FFANI0001 KNApSAcK: C00005005 LipidMAPS: LMPK12113143 |
| C21H20O7 | 384.12090 | 0.621 | Oxyisocyclointegrin | FlavonoidViewer: FL3FRNNR0006 HMDB: HMDB0030621 KNApSAcK: C00013502 LipidMAPS: LMPK12111540 |
| C21H20O7 | 384.12090 | 0.621 | Ophioglonol prenyl ether | KNApSAcK: C00042809 |
| C21H20O7 | 384.12090 | 0.621 | 1,3-O-di-trans-p-Coumaroylglycerol | KNApSAcK: C00046543 |
| C21H20O7 | 384.12090 | 0.621 | 1-methoxy-3,8,9-trihydroxy-2-prenylcoumestan | LipidMAPS: LMPK12090050 |
| C21H20O7 | 384.12090 | 0.621 | Gancaonin D | FlavonoidViewer: FLIAAENI0003 HMDB: HMDB0038396 KNApSAcK: C00009904 LipidMAPS: LMPK12050263 |
| C21H20O7 | 384.12090 | 0.621 | Piperenol A | HMDB: HMDB0039634 |
| C21H20O7 | 384.12090 | 0.621 | Licopyranocoumarin | FlavonoidViewer: FLIHALNP0002 HMDB: HMDB0038874 KNApSAcK: C00010042 LipidMAPS: LMPK12160021 |
| C21H20O7 | 384.12090 | 0.621 | Ebenfuran VII | KNApSAcK: C00039082 |
| C21H20O7 | 384.12090 | 0.621 | Dulxanthone F | HMDB: HMDB0034914 KNApSAcK: C00046722 |
| C21H20O7 | 384.12090 | 0.621 | 5,7,3',4'-Tetrahydroxy-6'-methoxy-2'-prenylisoflavone | FlavonoidViewer: FLIAALNI0005 LipidMAPS: LMPK12050290 |
| C21H20O7 | 384.12090 | 0.621 | 5,7,3',4'-Tetrahydroxy-3-methoxy-5'-prenylflavone | FlavonoidViewer: FL5FDCNI0004 HMDB: HMDB0040837 KNApSAcK: C00005116 LipidMAPS: LMPK12112721 |
| C21H20O7 | 384.12090 | 0.621 | 5,4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)-3''-methoxyfurano[4'',5'':6,7]isoflavone | KNApSAcK: C00019066 |
| C21H20O7 | 384.12090 | 0.621 | 8-Hydroxygalangin 3-methyl ether 8-methylbutyrate | FlavonoidViewer: FL5FF9NI0001 KNApSAcK: C00004914 LipidMAPS: LMPK12113076 |
| C21H20O7 | 384.12090 | 0.621 | Mirificoumestan hydrate | FlavonoidViewer: FLIE1CNI0002 KNApSAcK: C00010056 LipidMAPS: LMPK12090023 |
| C21H20O7 | 384.12090 | 0.621 | Piscerythrone | FlavonoidViewer: FLIAALNI0004 KNApSAcK: C00009510 LipidMAPS: LMPK12050289 |
| C21H20O7 | 384.12090 | 0.621 | Calebin A | HMDB: HMDB0040134 KNApSAcK: C00045250 |
| C21H20O7 | 384.12090 | 0.621 | Piscerynetol | KNApSAcK: C00019609 |
| C21H20O7 | 384.12090 | 0.621 | 3,5,7-Trihydroxy-6-methoxy-4'-prenyloxyflavone | FlavonoidViewer: FL5FEANI0001 KNApSAcK: C00004998 LipidMAPS: LMPK12112852 |
| C14H20O5N6S | 384.12159 | -1.164 | S-Adenosyl-L-homocysteine | HMDB: HMDB0000939 KEGG: C00021 KNApSAcK: C00007230 |
| C14H20O5N6S | 384.12159 | -1.164 | (2S)-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-sulfanylbutanoic acid | HMDB: HMDB0258158 |
| C22H16O3N4 | 384.12224 | -2.861 | 4-(4-(Benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide | HMDB: HMDB0246120 |
| C22H16O3N4 | 384.12224 | -2.861 | UVA-1 | HMDB: HMDB0259732 |
| C22H16O3N4 | 384.12224 | -2.861 | Gliocladin C | KNApSAcK: C00026636 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 385.12863 |
| Splash: splash10-0uei-0970000000-8bd4eb3e075248160d5d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 250.05 | 1969 | 135 | 1000 |
| 136.02 | 1430 | 249 | 726 |
| 133.90 | 750 | 251 | 381 |
| 132.01 | 239 | 253 | 121 |
| 231.94 | 110 | 153 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Piscerythrone |
| 0.000 | [Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Piscidone |
| 0.000 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | Gancaonin P 3'-methyl ether |
| 0.000 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | 8-Prenylquercetin 4'-methyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Dihydroflavonol | Eriotrinol |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Dihydroflavonol | 3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone |
| 0.000 | [Flavanone]-A(2OH)-B(2OMe, 1(C-Prenyl)) | Flavanone | 5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone |
| 0.000 | [CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe)-B(1OH) | CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone | Oxyisocyclointegrin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | Uralene |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavonol | 5,7,3',4'-Tetrahydroxy-3-methoxy-6-prenylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | 5,7,3',4'-Tetrahydroxy-3-methoxy-5'-prenylflavone |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(4,6,6-Dimethyldihydropyrano)))-B(2OH) | Flavonol | 4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone |
| 0.000 | [Isoflavone]-A(2OH, Hydroxyprenyl)-B(1OH, 1OMe) | Isoflavone | Gancaonin D |
| 0.000 | [Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(1,1-Dimethylallyl)) | Isoflavanone | Echinoisosophoranone |
| 0.000 | [Isoflavanone-3-ol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavanone-3-ol | Sophoronol |
| 0.000 | [Coumestan]-A(1OH)-B(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl)) | Coumestan | Mirificoumestan hydrate |
| 0.000 | [3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6-Hydroxymethyl-6-methyldihydropyrano)))-B(2OH) | 3-Phenylcoumarin | Licopyranocoumarin |