ピーク情報

トマト Micro-Tom 成熟果実の果皮

neg

Peak #3638 MN MID: SE203_S11_M91

m/z: 353.08753, RT: 37.26, 強度: 412898, ログ強度: 2.17, アダクト: [M-H]-, 共有数（同様のピークを含むサンプル数）: 8

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	-0.766	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	-0.766	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	-0.766	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	-0.766	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	-0.766	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	-0.766	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	-0.766	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	-0.766	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	-0.766	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-df30565e25ba58e2fcb2

m/z	Int.	NL	Rel.Int.
191.05	729656	162	1000

Level: 3, プリカーサーm/z: 191.12462

Splash: splash10-00gi-3900000000-a55e4d47f10ed6a5fe42

m/z	Int.	NL	Rel.Int.
126.97	23840	64	1000
172.98	20075	18	842
84.89	16428	106	689
110.93	9608	80	403
92.97	8644	98	362
171.07	6738	20	282
108.92	5357	82	224
155.00	2831	36	118
86.84	1914	104	80
70.81	1426	120	59

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果