ピーク情報

トマト Micro-Tom 花

neg

Peak #5896 MN MID: SE203_S31_M91

m/z: 353.08785, RT: 39.18, 強度: 1994150, ログ強度: 2.81, アダクト: [M-H]-, 共有数（同様のピークを含むサンプル数）: 5

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	0.138	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	0.138	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	0.138	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	0.138	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	0.138	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	0.138	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	0.138	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	0.138	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	0.138	Chrysolandol	KNApSAcK: C00015105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 353.08755

Splash: splash10-0006-0900000000-0278ca63a9244765e00b

m/z	Int.	NL	Rel.Int.
191.07	1271824	162	1000

Level: 3, プリカーサーm/z: 191.02853

Splash: splash10-00gi-5900000000-14edadb46e88397874a3

m/z	Int.	NL	Rel.Int.
126.99	13676	64	1000
84.95	12339	106	902
172.98	12165	18	889
92.87	6622	98	484
110.99	4737	80	346
171.03	4236	20	309
109.00	2864	82	209
86.97	1955	104	142
155.02	1078	36	78
152.87	959	38	70
98.95	860	92	62
58.73	852	132	62
70.83	758	120	55
191.02	713	0	52

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

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