ピーク情報

リーフレタスグリーン

neg

Peak #2822 MN MID: SE198_S12_M91

m/z: 353.08789, RT: 33.07, 強度: 70130, ログ強度: 1.41, アダクト: [M-H]-, 共有数（同様のピークを含むサンプル数）: 6

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	0.224	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	0.224	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	0.224	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	0.224	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	0.224	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	0.224	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	0.224	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	0.224	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	0.224	Chrysolandol	KNApSAcK: C00015105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 353.08755

Splash: splash10-0006-0900000000-d21020c012a5d04b5468

m/z	Int.	NL	Rel.Int.
190.99	36772	162	1000
178.99	15633	174	425
134.97	2731	218	74

Level: 3, プリカーサーm/z: 179.01347

Splash: splash10-001i-0900000000-b238d10bc86ebd666318

m/z	Int.	NL	Rel.Int.
134.94	6280	44	1000

Level: 3, プリカーサーm/z: 190.99191

Splash: splash10-00gi-4900000000-524685692eba1c3a5f21

m/z	Int.	NL	Rel.Int.
126.91	1069	64	1000
173.03	910	18	850
84.91	659	106	616
92.92	446	98	416
110.95	304	80	284
171.02	214	20	200
86.93	196	104	183
108.97	129	82	120
154.99	97	36	90
70.99	60	120	56

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