ピーク情報

せり茎葉生

pos

Peak #2877 MN MID: SE116_S061171_M90

m/z: 531.14948, RT: 51.74, 強度: 140706, ログ強度: 1.71, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 15

DB検索結果: (11 names) 3-Caffeoyl-4-feruloylquinic acid;Juspurpurin;1-Caffeoyl-5-feruloylquinic acid;Macroantoin G;Luteolin 3'-methyl ether 7-(6''-crotonylglucoside);Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate);7-(beta-...

DBごとのヒット数: ALL 10 KN 6 HM 4

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
C26H26O12	530.14243	-0.416	3-Caffeoyl-4-feruloylquinic acid	HMDB: HMDB0037092 KNApSAcK: C00055232
C26H26O12	530.14243	-0.416	1-Caffeoyl-5-feruloylquinic acid	HMDB: HMDB0041642
C26H26O12	530.14243	-0.416	Juspurpurin	KNApSAcK: C00051091
C26H26O12	530.14243	-0.416	Luteolin 3'-methyl ether 7-(6''-crotonylglucoside)	FlavonoidViewer: FL3FADGS0018 KNApSAcK: C00004352 LipidMAPS: LMPK12110784
C26H26O12	530.14243	-0.416	Macroantoin G	KNApSAcK: C00043178
C26H26O12	530.14243	-0.416	Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate)	FlavonoidViewer: FL3FACGS0083 KNApSAcK: C00013668 LipidMAPS: LMPK12110717
C26H26O12	530.14243	-0.416	Macroantoin F	KNApSAcK: C00049080
C26H26O12	530.14243	-0.416	1-Feruloyl-5-caffeoylquinic acid	HMDB: HMDB0041643
C26H26O12	530.14243	-0.416	4-O-Caffeoyl-3-O-feruloylquinic acid	HMDB: HMDB0033008
C26H26O12	530.14243	-0.416	Formononetin 7-(6''-methylmalonylglucoside)	HMDB: HMDB0029494

MSnスペクトル情報

Level: 2, プリカーサーm/z: 531.14954

Splash: splash10-03di-0000090000-8951dd7185b6e0e67ec3

m/z	Int.	NL	Rel.Int.
513.18	1616	18	1000
512.51	179	19	110
177.08	156	354	96

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(3OH, 2(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Dihydrochalcone	Neolinderatin
[Flavanone]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH, 1(2,4-dihydroxyphenyl))	Flavanone	Eriosemaone C
[Flavone]-A(1OH, 1OMe, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(1OH)	Flavone	Isoswertisin 2''-O-(2'''-methylbutyrate)
[Flavone]-A(1OH, 1OMe, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(1OH)	Flavone	Isoswertisin 3''-O-(2'''-methylbutyrate)

Level: 3, プリカーサーm/z: 513.22089

Splash: splash10-017i-0509000000-9dfefadfe6f081ecb34a

m/z	Int.	NL	Rel.Int.
319.26	186	194	1000
177.07	143	336	769
333.15	112	180	603
162.98	50	350	269
455.67	12	58	61

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
2877	51.74	531.14948	0.0000	1.71	[M+H]+	(11 names) 3-Caffeoyl-4-feruloylquinic acid; Juspurpurin; 1-Caffeoyl-5-feruloylquinic acid; Macroantoin G; Luteolin 3'-methyl ether 7-(6''-crotonylglucoside); Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate); 7-(beta-...	ALL 10 KN 6 HM 4	MS2 MS3			15
	51.75	513.13938	-18.0101	0.69	[M-H2O+H]+	(11 names) 3-Caffeoyl-4-feruloylquinic acid; Juspurpurin; 1-Caffeoyl-5-feruloylquinic acid; Macroantoin G; Luteolin 3'-methyl ether 7-(6''-crotonylglucoside); Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate); 7-(beta-...	ALL 10 KN 6 HM 4	MS2 MS3 x 2		0.083	11

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

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