ピーク情報

リーフレタスグリーン

neg

Peak #4636 MN MID: SE198_S12_M91

m/z: 353.08824, RT: 38.59, 強度: 94918, ログ強度: 1.54, アダクト: [M-H]-, 共有数（同様のピークを含むサンプル数）: 5

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	1.240	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	1.240	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	1.240	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	1.240	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	1.240	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	1.240	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	1.240	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	1.240	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	1.240	Chrysolandol	KNApSAcK: C00015105
C18H18N4S2	354.09729	-4.992	1-Methyl-3-{2-[(1-methyl-1H-benzimidazol-2-yl)thio]ethyl}-1,3-dihydro-2H-benzimidazole-2-thione	HMDB: HMDB0247841

MSnスペクトル情報

Level: 2, プリカーサーm/z: 353.08786

Splash: splash10-0006-0900000000-68be03036e5c018a5482

m/z	Int.	NL	Rel.Int.
190.99	50397	162	1000

Level: 3, プリカーサーm/z: 191.08487

Splash: splash10-00gi-5900000000-6175a854100ec4330317

m/z	Int.	NL	Rel.Int.
172.96	1254	18	1000
126.99	1189	64	948
84.87	1182	106	942
92.97	634	98	505
110.94	497	80	396
170.95	381	20	303
109.02	286	82	227
86.88	174	104	138
70.97	135	120	107
154.99	111	36	88
58.84	79	132	62

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果