ピーク情報

よもぎ葉生

pos

Peak #4755 MN MID: SE116_S063011_M90

m/z: 547.14490, RT: 49.53, 強度: 10658, ログ強度: 0.54, アダクト: [M+IsoProp-2(H2O)+H]+, 共有数（同様のピークを含むサンプル数）: 15

DB検索結果: (6 names) 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide;Quercetagetin 7-(6''-acetylglucoside);Myricetin 3-(6-acetylgalactoside);Spinatoside;Syringetin 3-glucuronide;3,3',5,6-Tetrahydroxy-4',7-dimeth...

DBごとのヒット数: ALL 6 KN 3 HM 3

FlavonoidSearch最大スコア MS2: -, MS3: 0.118

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
C23H22O14	522.10096	0.546	3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide	HMDB: HMDB0038262
C23H22O14	522.10096	0.546	Quercetagetin 7-(6''-acetylglucoside)	FlavonoidViewer: FL5FECGS0040 KNApSAcK: C00006020 LipidMAPS: LMPK12112944
C23H22O14	522.10096	0.546	Myricetin 3-(6-acetylgalactoside)	HMDB: HMDB0035462
C23H22O14	522.10096	0.546	Spinatoside	FlavonoidViewer: FL5FECGS0014 HMDB: HMDB0037457 KNApSAcK: C00005656 LipidMAPS: LMPK12112918
C23H22O14	522.10096	0.546	Syringetin 3-glucuronide	FlavonoidViewer: FL5FAIGS0003 KNApSAcK: C00005779 LipidMAPS: LMPK12112495
C23H22O14	522.10096	0.546	3,3',5,6-Tetrahydroxy-4',7-dimethoxyflavone 3-glucuronide	HMDB: HMDB0038263

MSnスペクトル情報

Level: 2, プリカーサーm/z: 547.14441

Splash: splash10-004i-0709050000-69f2fbad43fa27de088a

m/z	Int.	NL	Rel.Int.
325.05	1608	222	1000
529.21	1068	18	664
162.94	821	384	510
193.08	636	354	395
385.28	206	162	128
180.96	187	366	116
528.48	173	19	107
307.13	160	240	99
223.18	119	324	74
178.06	111	369	68
384.65	108	162	67

Level: 3, プリカーサーm/z: 325.05194

Splash: splash10-03di-0902000000-7ee08bb558ca157f25bd

m/z	Int.	NL	Rel.Int.
162.96	842	162	1000
307.13	209	18	247

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.118	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.067	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.067	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.067	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.067	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.056	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.056	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.056	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.056	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.056	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
0.000	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	8-Prenyldemethylmedicarpin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	Phaseollidin
0.000	[Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Chalcone	Crotmadine
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin E
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin B
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin F
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin C
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Dorsmanin A
0.000	[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none)	Dihydrochalcone	1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone
0.000	[Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavanone	7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone
0.000	[Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none)	Flavanone	5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe)	Isoflavanone	Neoraunone
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))	Isoflavan	Crotmarine
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavan	Glabridin
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	Phaseollinisoflavan
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe)	Pterocarpan	Ambonane
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Neobanol

Level: 3, プリカーサーm/z: 529.20819

Splash: splash10-0006-0902000000-0ddd064c69b1a6db9e98

m/z	Int.	NL	Rel.Int.
193.07	357	336	1000
319.22	88	210	246
178.08	71	351	199
162.95	49	366	137
349.22	38	180	107
511.33	32	18	90
313.39	25	216	69

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(3OH, 2(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	2'-Hydroxychalcone	Neolinderachalcone
0.000	[Flavanone]-A(2OH, 2(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Flavanone	Neolinderatone

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	FS2	FS3	共有数
4755	49.53	547.14490	0.0000	0.54	[M+IsoProp-2(H2O)+H]+	(6 names) 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide; Quercetagetin 7-(6''-acetylglucoside); Myricetin 3-(6-acetylgalactoside); Spinatoside; Syringetin 3-glucuronide; 3,3',5,6-Tetrahydroxy-4',7-dimeth...	ALL 6 KN 3 HM 3	MS2 MS3 x 2		0.118	15
	49.29	529.13418	-18.0107	0.16	[M+IsoProp-3(H2O)+H]+	(6 names) 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide; Quercetagetin 7-(6''-acetylglucoside); Myricetin 3-(6-acetylgalactoside); Spinatoside; Syringetin 3-glucuronide; 3,3',5,6-Tetrahydroxy-4',7-dimeth...	ALL 6 KN 3 HM 3				2

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

関連ピーク情報