ピーク情報

トマト Micro-Tom 成熟果実の果皮

neg

Peak #3496 MN MID: SE203_S11_M91

m/z: 353.08752, RT: 36.77, 強度: 747731, ログ強度: 2.43, 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	-0.817	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	-0.817	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	-0.817	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	-0.817	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	-0.817	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	-0.817	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	-0.817	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	-0.817	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	-0.817	Chrysolandol	KNApSAcK: C00015105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 353.08752

Splash: splash10-0006-0900000000-0c04442ef98919e2df38

m/z	Int.	NL	Rel.Int.
191.00	553701	162	1000
173.09	180060	180	325
179.01	108905	174	196

Level: 3, プリカーサーm/z: 173.05139

Splash: splash10-01ox-9500000000-1e541d0f6b74cf3c7acc

m/z	Int.	NL	Rel.Int.
92.95	18291	80	1000
110.96	9993	62	546
70.77	4602	102	251
155.05	3107	18	169
58.84	2289	114	125
109.01	1053	64	57
136.94	1042	36	56

Level: 3, プリカーサーm/z: 191.05087

Splash: splash10-00gl-7900000000-4c64be928187fe80d126

m/z	Int.	NL	Rel.Int.
126.96	17982	64	1000
84.94	16666	106	926
173.06	14080	18	783
93.01	12389	98	688
110.84	5579	80	310
70.84	3489	120	194
108.82	3487	82	193
86.88	3130	104	174
171.03	2830	20	157
58.81	1662	132	92

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