ピーク情報

イネ　葉　ニッポンバレ

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Peak #7169 MN MID: SE199_S41_M91

m/z: 781.21976, RT: 48.21, 強度: 251349, ログ強度: 1.87, アダクト: [2M+HCOOH-H]-, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (12 names) O-feruloylquinate;Methyl-4-O-caffeoylquinate;(+)-Methyl-4-O-caffeoylquinate;Cnidioside A;3-O-Caffeoyl-1-O-methylquinic acid;2beta,3beta-Epoxybishopantholide;5-(3'-Hydroxyphenyl)-γ-valerolactone 3'-glu...

DBごとのヒット数: ALL 11 KG 1 KN 5 HM 5

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
C17H20O9	368.11073	0.131	O-feruloylquinate	HMDB: HMDB0240453, [-1]HMDB0304441
C17H20O9	368.11073	0.131	Cnidioside A	KNApSAcK: C00031684
C17H20O9	368.11073	0.131	Methyl-4-O-caffeoylquinate	KNApSAcK: C00042739
C17H20O9	368.11073	0.131	3-O-Caffeoyl-1-O-methylquinic acid	HMDB: HMDB0039959
C17H20O9	368.11073	0.131	2beta,3beta-Epoxybishopantholide	KNApSAcK: C00020432
C17H20O9	368.11073	0.131	5-(3'-Hydroxyphenyl)-Î³-valerolactone 3'-glucuronide	HMDB: HMDB0240471
C17H20O9	368.11073	0.131	Feruloylquinic acid	HMDB: HMDB0302684
C17H20O9	368.11073	0.131	Phellodenol H	KNApSAcK: C00030985
C17H20O9	368.11073	0.131	5-(4â-hydroxyphenyl)-Î³-valerolactone 4'-glucuronide	HMDB: HMDB0240475
C17H20O9	368.11073	0.131	5-Caffeoylquinic acid methyl ester	KNApSAcK: C00029558, C00029948, C00035932
C17H20O9	368.11073	0.131	5-O-Feruloylquinic acid	HMDB: HMDB0030669, HMDB0039960, HMDB0240478 KEGG: C02572 KNApSAcK: C00035939, C00052735

MSnスペクトル情報

Level: 2, プリカーサーm/z: 781.21887

Splash: splash10-000i-0000000900-0ca774f41e054c708f8c

m/z	Int.	NL	Rel.Int.
735.10	86075	46	1000
271.17	5688	510	66

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	共有数
7169	48.21	781.21976	0.0000	1.87	[2M+HCOOH-H]-	(12 names) O-feruloylquinate; Methyl-4-O-caffeoylquinate; (+)-Methyl-4-O-caffeoylquinate; Cnidioside A; 3-O-Caffeoyl-1-O-methylquinic acid; 2beta,3beta-Epoxybishopantholide; 5-(3'-Hydroxyphenyl)-γ-valerolactone 3'-glu...	ALL 11 KG 1 KN 5 HM 5	MS2	2
	48.22	771.19112	-10.0286	0.76	[2M+HCl-H]-, [M+NaCOOH-H2O-H]-	(12 names) O-feruloylquinate; Methyl-4-O-caffeoylquinate; (+)-Methyl-4-O-caffeoylquinate; Cnidioside A; 3-O-Caffeoyl-1-O-methylquinic acid; 2beta,3beta-Epoxybishopantholide; 5-(3'-Hydroxyphenyl)-γ-valerolactone 3'-glu...	ALL 11 KG 1 KN 5 HM 5	MS2	2

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