ピーク情報

トマト Micro-Tom 成熟果実の果皮

neg

Peak #6932 MN MID: SE203_S11_M91

m/z: 353.08798, RT: 48.13, 強度: 592842, ログ強度: 2.33, 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	0.490	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	0.490	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	0.490	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	0.490	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	0.490	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	0.490	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	0.490	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	0.490	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	0.490	Chrysolandol	KNApSAcK: C00015105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 353.08752

Splash: splash10-00fr-0900000000-fd16495ce953a8f7a808

m/z	Int.	NL	Rel.Int.
172.98	317441	180	1000
178.97	167998	174	529
191.00	53051	162	167
135.05	20012	218	63

Level: 3, プリカーサーm/z: 178.99644

Splash: splash10-001i-0900000000-1b33efe8ba2f4eb98f44

m/z	Int.	NL	Rel.Int.
134.97	80305	44	1000

Level: 3, プリカーサーm/z: 173.01331

Splash: splash10-01ox-9800000000-a77e0989203f6b73e2f9

m/z	Int.	NL	Rel.Int.
93.00	18426	80	1000
110.97	14278	62	774
155.02	5026	18	272
70.81	2971	102	161
136.96	1943	36	105
58.90	936	114	50

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