ピーク情報

リーフレタスグリーン

neg

Peak #3966 MN MID: SE198_S12_M91

m/z: 707.18379, RT: 36.94, 強度: 3395940, ログ強度: 3.10, アダクト: [2M-H]-, 共有数（同様のピークを含むサンプル数）: 7

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	1.272	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	1.272	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	1.272	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	1.272	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	1.272	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	1.272	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	1.272	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	1.272	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	1.272	Chrysolandol	KNApSAcK: C00015105
C18H18N4S2	354.09729	-4.959	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: 707.18188

Splash: splash10-0udi-0009000000-dbb7e8e75d84cf63366b

m/z	Int.	NL	Rel.Int.
353.09	175283	354	1000

Level: 3, プリカーサーm/z: 353.04669

Splash: splash10-0006-0900000000-f4a4b2b51529e2154136

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果