ピーク情報

リーフレタスグリーン

neg

Peak #3683 MN MID: SE198_S12_M91

m/z: 385.11466, RT: 36.22, 強度: 144774, ログ強度: 1.73, 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: (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...

DBごとのヒット数: ALL 10 KG 3 KN 6 HM 1

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	1.819	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	1.819	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	1.819	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	1.819	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	1.819	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	1.819	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	1.819	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	1.819	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	1.819	Chrysolandol	KNApSAcK: C00015105
C18H18N4S2	354.09729	-4.412	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: 385.11435

Splash: splash10-001i-0900000000-cefef13863c90e7aafe6

m/z	Int.	NL	Rel.Int.
181.01	51596	204	1000
163.02	6768	222	131
343.17	4992	42	96

Level: 3, プリカーサーm/z: 180.99049

Splash: splash10-03di-0900000000-847226729c10ea911019

m/z	Int.	NL	Rel.Int.
163.02	21075	18	1000
134.98	1663	46	78

Level: 3, プリカーサーm/z: 163.02081

Splash: splash10-014i-0900000000-eb53cce656362a0c0165

ピーク情報

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MSnスペクトル情報

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