ピーク情報

タバコBY-2細胞　3日目

neg

Peak #1551 MN MID: SE204_S03_M91

m/z: 353.08761, RT: 36.76, 強度: 71187, ログ強度: 1.39, アダクト: [M-H]-, 共有数（同様のピークを含むサンプル数）: 8

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	-0.565	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	-0.565	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	-0.565	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	-0.565	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	-0.565	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	-0.565	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	-0.565	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	-0.565	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	-0.565	Chrysolandol	KNApSAcK: C00015105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 353.08737

Splash: splash10-0006-0900000000-6bcb73307895d9eedda9

m/z	Int.	NL	Rel.Int.
190.95	69524	162	1000

Level: 3, プリカーサーm/z: 190.96088

Splash: splash10-00gi-5900000000-e66cab87552e2b5afd66

m/z	Int.	NL	Rel.Int.
84.85	943	106	1000
126.90	825	64	873
173.00	783	18	830
92.90	478	98	507
110.95	313	80	332
108.94	241	82	254
170.98	237	20	251
86.82	114	104	121
154.89	72	36	76

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果