ピーク情報

せり茎葉生

pos

Peak #1295 MN MID: SE116_S061171_M90

m/z: 384.09226, RT: 32.53, 強度: 13677, ログ強度: 0.69, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (5 names) Punicaflavanol;Phosphoribosyl-formamido-carboxamide;N-Formamidoimidazole-4-carboxamide ribonucleotide;FAICAR;Phosphoribosyl formamidocarboxamide

DBごとのヒット数: ALL 3 KG 1 KN 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.053

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
C16H14O10	366.05870	-0.718	Punicaflavanol	KNApSAcK: C00053723
C10H15O9N4P	366.05767	2.097	Phosphoribosyl-formamido-carboxamide	KNApSAcK: C00007394
C10H15O9N4P	366.05767	2.097	1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide	HMDB: HMDB0001439, HMDB0062708 KEGG: C04734

MSnスペクトル情報

Level: 2, プリカーサーm/z: 384.09232

Splash: splash10-001i-0906000000-d355d0acea71f6452554

m/z	Int.	NL	Rel.Int.
181.03	6785	203	1000
366.76	2651	17	390
349.12	2610	35	384
163.07	1189	221	175
366.06	340	18	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavone]-A(2OH, 1OMe, 1(1-Methylpyrrolidin-2-yl))-B(1OH)	Flavone	Phyllospadine
0.000	[Flavonol]-A(2OH, 1(3-Methyl-2-pyrrolidinon-5-yl))-B(1OH)	Flavonol	Lilaline

Level: 3, プリカーサーm/z: 180.95760

Splash: splash10-03di-0900000000-3b26b7b32279236e0dec

m/z	Int.	NL	Rel.Int.
162.98	3668	18	1000

Level: 3, プリカーサーm/z: 366.63168

Splash: splash10-0a4r-0029000000-27ed634f3342dd2dfa37

m/z	Int.	NL	Rel.Int.
306.22	14	60	1000
338.45	7	28	506
288.97	6	78	465
320.51	3	46	182
331.17	2	35	111

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.053	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavonol	6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether
0.000	[Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Barpisoflavone C
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Isoflavone	3'-Hydroxyalpinumisoflavone 4'-methyl ether
0.000	[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Coumestan	Mirificoumestan
0.000	[Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Coumestan	Puerarostan
0.000	[Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Coumestan	3,9-Dihydroxy-1-methoxy-8-prenylcoumestan
0.000	[Coumestan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Coumestan	Glycyrol
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavone	Racemoflavone
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavone	5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(2OH)	Flavone	Desmodol
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3'-Methoxypongapin
0.000	[Flavonol]-A(2OH, 1Sulfate)-B(1OH)	Flavonol	Kaempferol 8-C-sulfate
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavonol	Vellokaempferol 3-methyl ether
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Isoflavone	Derrubone
0.000	[Pterocarpan]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neorautenanol
0.000	[Coumestan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Coumestan	Isoglycyrol
0.000	[Rotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Rotenone	Pachyrrhizone
0.000	[12a-Hydroxyrotenone (12a-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	12a-Methoxydolineone
0.000	[3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	3-Phenylcoumarin	Neofolin

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	FS2	FS3	共有数
	32.57	405.02168	20.9294	-0.07	[M+K]+	(5 names) Punicaflavanol; Phosphoribosyl-formamido-carboxamide; N-Formamidoimidazole-4-carboxamide ribonucleotide; FAICAR; Phosphoribosyl formamidocarboxamide	ALL 3 KG 1 KN 2				1
1295	32.53	384.09226	0.0000	0.69	[M+NH4]+	(5 names) Punicaflavanol; Phosphoribosyl-formamido-carboxamide; N-Formamidoimidazole-4-carboxamide ribonucleotide; FAICAR; Phosphoribosyl formamidocarboxamide	ALL 3 KG 1 KN 2	MS2 MS3 x 2		0.053	1
	32.55	367.06572	-17.0265	1.01	[M+H]+	(5 names) Punicaflavanol; Phosphoribosyl-formamido-carboxamide; N-Formamidoimidazole-4-carboxamide ribonucleotide; FAICAR; Phosphoribosyl formamidocarboxamide	ALL 3 KG 1 KN 2	MS2 MS3	0.136	0.154	1
	32.56	349.05521	-35.0370	0.54	[M-H2O+H]+	(5 names) Punicaflavanol; Phosphoribosyl-formamido-carboxamide; N-Formamidoimidazole-4-carboxamide ribonucleotide; FAICAR; Phosphoribosyl formamidocarboxamide	ALL 3 KG 1 KN 2	MS2 MS3 x 2	0.077		1