ピーク情報

たらのめ若芽生

neg

Peak #2789 MN MID: SE114_S061571_M91

m/z: 399.09397, RT: 36.88, 強度: 10790, ログ強度: 0.61, アダクト: [M+HCOOH-H]-, 共有数（同様のピークを含むサンプル数）: 48

DB検索結果: (10 names) Scopolin;1-Caffeoylquinic acid;Magnolioside;Cryptochlorogenic acid;7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone;Chlorogenic acid;Biflorin;Isobiflorin;Chrysolandol;1-Methyl-3-{2-[(1-methyl-1H-benzi...

DBごとのヒット数: ALL 10 KG 3 KN 6 HM 1

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
C16H18O9	354.09508	1.924	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	1.924	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	1.924	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	1.924	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	1.924	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	1.924	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	1.924	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	1.924	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	1.924	Chrysolandol	KNApSAcK: C00015105
C18H18N4S2	354.09729	-4.308	1-Methyl-3-{2-[(1-methyl-1H-benzimidazol-2-yl)thio]ethyl}-1,3-dihydro-2H-benzimidazole-2-thione	HMDB: HMDB0247841

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
2789	36.88	399.09397	0.0000	0.61	[M+HCOOH-H]-	(10 names) Scopolin; 1-Caffeoylquinic acid; Magnolioside; Cryptochlorogenic acid; 7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone; Chlorogenic acid; Biflorin; Isobiflorin; Chrysolandol; 1-Methyl-3-{2-[(1-methyl-1H-benzi...	ALL 10 KG 3 KN 6 HM 1		48
	36.77	389.06514	-10.0288	0.22	[M+HCl-H]-	(10 names) Scopolin; 1-Caffeoylquinic acid; Magnolioside; Cryptochlorogenic acid; 7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone; Chlorogenic acid; Biflorin; Isobiflorin; Chrysolandol; 1-Methyl-3-{2-[(1-methyl-1H-benzi...	ALL 10 KG 3 KN 6 HM 1		16
	36.64	385.11464	-13.9793	0.69	[M+CH3OH-H]-	(10 names) Scopolin; 1-Caffeoylquinic acid; Magnolioside; Cryptochlorogenic acid; 7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone; Chlorogenic acid; Biflorin; Isobiflorin; Chrysolandol; 1-Methyl-3-{2-[(1-methyl-1H-benzi...	ALL 10 KG 3 KN 6 HM 1	MS2	52
	36.37	353.08792	-46.0061	2.13	[M-H]-	(9 names) Scopolin; 1-Caffeoylquinic acid; Magnolioside; Cryptochlorogenic acid; 7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone; Chlorogenic acid; Biflorin; Isobiflorin; Chrysolandol	ALL 9 KG 3 KN 6	MS2	54
	36.89	353.08782	-46.0061	2.21	[M-H]-	(9 names) Scopolin; 1-Caffeoylquinic acid; Magnolioside; Cryptochlorogenic acid; 7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone; Chlorogenic acid; Biflorin; Isobiflorin; Chrysolandol	ALL 9 KG 3 KN 6	MS2	54

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MSnスペクトル情報

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