ピーク情報

イネ　葉　ニッポンバレ

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Peak #7470 MN MID: SE199_S41_M91

m/z: 735.21433, RT: 49.01, 強度: 824271, ログ強度: 2.39, アダクト: [2M-H]-, 共有数（同様のピークを含むサンプル数）: 5

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	0.188	O-feruloylquinate	HMDB: HMDB0240453, [-1]HMDB0304441
C17H20O9	368.11073	0.188	Cnidioside A	KNApSAcK: C00031684
C17H20O9	368.11073	0.188	Methyl-4-O-caffeoylquinate	KNApSAcK: C00042739
C17H20O9	368.11073	0.188	3-O-Caffeoyl-1-O-methylquinic acid	HMDB: HMDB0039959
C17H20O9	368.11073	0.188	2beta,3beta-Epoxybishopantholide	KNApSAcK: C00020432
C17H20O9	368.11073	0.188	5-(3'-Hydroxyphenyl)-Î³-valerolactone 3'-glucuronide	HMDB: HMDB0240471
C17H20O9	368.11073	0.188	Feruloylquinic acid	HMDB: HMDB0302684
C17H20O9	368.11073	0.188	Phellodenol H	KNApSAcK: C00030985
C17H20O9	368.11073	0.188	5-(4â-hydroxyphenyl)-Î³-valerolactone 4'-glucuronide	HMDB: HMDB0240475
C17H20O9	368.11073	0.188	5-Caffeoylquinic acid methyl ester	KNApSAcK: C00029558, C00029948, C00035932
C17H20O9	368.11073	0.188	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: 735.21307

Splash: splash10-00di-0093000000-57e6c7a251b173142184

m/z	Int.	NL	Rel.Int.
271.11	68372	464	1000
369.18	18317	366	267
256.14	10900	479	159
241.13	10830	494	158
325.17	6222	410	90
693.21	5792	42	84
387.27	5244	348	76
351.20	4173	384	61

Level: 3, プリカーサーm/z: 271.17685

Splash: splash10-0a4i-0090000000-973dccf8ba961e4f7651

m/z	Int.	NL	Rel.Int.
256.09	44925	15	1000

Level: 3, プリカーサーm/z: 369.11261

Splash: splash10-004i-0029000000-31112d5db1712a1c4180

m/z	Int.	NL	Rel.Int.
325.14	7207	44	1000
310.29	1779	59	246
282.22	1172	87	162
245.17	835	124	115
293.21	581	76	80
297.04	373	72	51

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
	48.98	781.21883	46.0045	3.63	[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 MS3 x 2	3
	48.99	771.19054	35.9762	2.52	[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 MS3 x 2	2
7470	49.01	735.21433	0.0000	2.39	[2M-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 MS3 x 2	5

ピーク情報

DB検索結果

MSnスペクトル情報

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