ピーク情報

ミヤコグサ

pos

Peak #5073 MN MID: SE205_S07_M90

m/z: 503.15505, RT: 54.00, 強度: 4371, ログ強度: 0.14, 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: (14 names) Chryso-obtusin glucoside;5-Hydroxy-7,8,2',3'-tetramethoxyflavone 5-glucoside;6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-rhamnoside;4,2'-Dihydroxy-4',6'-diacetoxydihydrochalcone 2'-O-glucoside;Cent...

DBごとのヒット数: ALL 10 KG 1 KN 7 HM 1 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: -

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
C25H28O12	520.15808	0.506	5-Hydroxy-7,8,2',3'-tetramethoxyflavone 5-glucoside	FlavonoidViewer: FL3FF8GS0005 KNApSAcK: C00004450 LipidMAPS: LMPK12111294
C25H28O12	520.15808	0.506	Chryso-obtusin glucoside	KEGG: C10313 KNApSAcK: C00002805
C25H28O12	520.15808	0.506	6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-rhamnoside	FlavonoidViewer: FL3FEGGS0006 KNApSAcK: C00013726 LipidMAPS: LMPK12111265
C25H28O12	520.15808	0.506	Zosterin	FlavonoidViewer: FL1DAAGS0006 KNApSAcK: C00014632 LipidMAPS: LMPK12120521
C25H28O12	520.15808	0.506	Centapicrin	KNApSAcK: C00010797
C25H28O12	520.15808	0.506		LipidMAPS: LMPR0102070038
C25H28O12	520.15808	0.506	Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside	FlavonoidViewer: FL5FDFGS0001 KNApSAcK: C00013940 LipidMAPS: LMPK12112765
C25H28O12	520.15808	0.506	Julichrome Q6 glucuronide	KNApSAcK: C00039501
C25H28O12	520.15808	0.506	Lethedoside B	FlavonoidViewer: FL3FCKGS0002 KNApSAcK: C00013720 LipidMAPS: LMPK12111066
C27H25O4N4SF	520.15805	0.548	Ethyl 4-[5-[(2-ethoxypyrimidin-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]benzoate	HMDB: HMDB0252984

MSnスペクトル情報

Level: 2, プリカーサーm/z: 503.15506

Splash: splash10-000i-0055900000-8466abfdaa87dd626ea8

m/z	Int.	NL	Rel.Int.
485.04	1084	18	1000
297.10	634	206	584
381.11	409	122	376
285.19	324	218	298
467.08	242	36	223
441.01	211	62	195
367.17	149	136	137
339.14	109	164	100
363.07	99	140	91
353.20	94	150	86
161.03	80	342	73
392.99	67	110	62
449.03	67	54	61

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Coumaroyl)-(E)-4-hydroxyprenyl))-B(2OH)	2'-Hydroxychalcone	Demethoxyisogemichalcone C
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cycloheterophyllin
[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1([2,3:@@]-(6,6-Dimethylpyrano))))	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artonin N
[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artonin F
[CCS-type derivative / [2,2a,5:3',2',3]-7-Methyl-7-(4-Methyl-3-pentenyl)tetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7-Methyl-7-(4-Methyl-3-pentenyl)tetrahydroisobenzofuranoflavone	Artonin M
[UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone	Artonin O
[Coumaranochromon]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumaranochromon	Euchretin A

関連ピーク情報

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS3	共有数
	54.32	521.16564	18.0106	1.89	[M+H]+	(14 names) Chryso-obtusin glucoside; 5-Hydroxy-7,8,2',3'-tetramethoxyflavone 5-glucoside; 6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-rhamnoside; 4,2'-Dihydroxy-4',6'-diacetoxydihydrochalcone 2'-O-glucoside; Cent...	ALL 10 KG 1 KN 7 HM 1 LM 1	MS2 MS3 x 2	0.077	2
	54.30	503.15514	0.0001	0.99	[M-H2O+H]+	(14 names) Chryso-obtusin glucoside; 5-Hydroxy-7,8,2',3'-tetramethoxyflavone 5-glucoside; 6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-rhamnoside; 4,2'-Dihydroxy-4',6'-diacetoxydihydrochalcone 2'-O-glucoside; Cent...	ALL 10 KG 1 KN 7 HM 1 LM 1	MS2 MS3 x 2		1
5073	54.00	503.15505	0.0000	0.14	[M-H2O+H]+	(14 names) Chryso-obtusin glucoside; 5-Hydroxy-7,8,2',3'-tetramethoxyflavone 5-glucoside; 6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-rhamnoside; 4,2'-Dihydroxy-4',6'-diacetoxydihydrochalcone 2'-O-glucoside; Cent...	ALL 10 KG 1 KN 7 HM 1 LM 1	MS2		1

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

関連ピーク情報