ピーク情報

タバコBY-2細胞　3日目

neg

Peak #1543 MN MID: SE204_S03_M91

m/z: 385.11383, RT: 36.66, 強度: 12620, ログ強度: 0.64, アダクト: [M+CH3OH-H]-, 共有数（同様のピークを含むサンプル数）: 14

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	-0.528	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	-0.528	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	-0.528	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	-0.528	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	-0.528	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	-0.528	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	-0.528	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	-0.528	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	-0.528	Chrysolandol	KNApSAcK: C00015105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 385.11389

Splash: splash10-004l-0009000000-a66eac337e3418fc5675

m/z	Int.	NL	Rel.Int.
325.07	14394	60	1000
343.11	12379	42	860
181.03	1925	204	133
370.16	1132	15	78

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
1543	36.66	385.11383	0.0000	0.64	[M+CH3OH-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	14
	36.76	353.08761	-32.0262	1.39	[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 MS3	8

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