ピーク情報

たらのめ若芽生

neg

Peak #2802 MN MID: SE114_S061571_M91

m/z: 353.08782, RT: 36.89, 強度: 424664, ログ強度: 2.21, アダクト: [M-H]-, 共有数（同様のピークを含むサンプル数）: 54

DB検索結果: (9 names) Scopolin;1-Caffeoylquinic acid;Magnolioside;Cryptochlorogenic acid;7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone;Chlorogenic acid;Biflorin;Isobiflorin;Chrysolandol

DBごとのヒット数: ALL 9 KG 3 KN 6

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	0.046	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	0.046	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	0.046	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	0.046	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	0.046	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	0.046	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	0.046	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	0.046	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	0.046	Chrysolandol	KNApSAcK: C00015105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 353.08789

Splash: splash10-0006-0900000000-9c2ebe198d32725bc1cc

m/z	Int.	NL	Rel.Int.
191.09	158806	162	1000

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
	36.88	399.09397	46.0061	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	35.9773	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	32.0268	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
2802	36.89	353.08782	0.0000	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

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