ピーク情報

リーフレタスグリーン

neg

Peak #2680 MN MID: SE198_S12_M91

m/z: 385.11419, RT: 32.34, 強度: 21396, ログ強度: 0.90, アダクト: [M+CH3OH-H]-, 共有数（同様のピークを含むサンプル数）: 1

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	0.476	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	0.476	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	0.476	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	0.476	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	0.476	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	0.476	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	0.476	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	0.476	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	0.476	Chrysolandol	KNApSAcK: C00015105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 385.11407

Splash: splash10-00di-0090000000-ab50a0ceac282f9a0d11

m/z	Int.	NL	Rel.Int.
222.01	7744	163	1000
221.06	5268	164	680
207.05	2136	178	275
223.11	1781	162	229
293.08	478	92	61
193.09	477	192	61
206.04	413	179	53
220.13	395	165	51

Level: 3, プリカーサーm/z: 222.06395

Splash: splash10-0a4i-0090000000-17d1e5ddf29f1e91e9a4

m/z	Int.	NL	Rel.Int.
206.99	6691	15	1000

Level: 3, プリカーサーm/z: 221.07004

Splash: splash10-0a4i-0290000000-ed4b6adbb3a545f0d7d1

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

m/z	Int.	NL	Rel.Int.
205.96	2359	15	1000
193.10	629	28	266
178.04	119	43	50