ピーク情報

トマト Micro-Tom 成熟果実の果皮

neg

Peak #8228 MN MID: SE203_S11_M91

m/z: 353.08796, RT: 51.81, 強度: 18168, ログ強度: 0.81, アダクト: [M-H]-, 共有数（同様のピークを含むサンプル数）: 2

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	0.441	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	0.441	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	0.441	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	0.441	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	0.441	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	0.441	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	0.441	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	0.441	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	0.441	Chrysolandol	KNApSAcK: C00015105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 353.08792

Splash: splash10-00fr-0900000000-9a9c3aee215fb5c34e82

m/z	Int.	NL	Rel.Int.
173.01	13578	180	1000
179.01	7744	174	570
191.04	3209	162	236
135.07	792	218	58

Level: 3, プリカーサーm/z: 178.98277

Splash: splash10-001i-0900000000-ea4161126c18ebe228ea

m/z	Int.	NL	Rel.Int.
134.96	3486	44	1000

Level: 3, プリカーサーm/z: 173.02786

Splash: splash10-01ox-9500000000-54e594335a372901d91a

m/z	Int.	NL	Rel.Int.
92.95	942	80	1000
110.87	547	62	580
70.94	208	102	220
154.92	139	18	148
108.99	131	64	138
137.08	105	36	111
56.81	102	116	107
95.90	65	77	69
58.87	57	114	60
80.98	49	92	52

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

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FlavonoidSearch結果