ピーク情報

トマト Micro-Tom 成熟果実の果肉

neg

Peak #6637 MN MID: SE203_S21_M91

m/z: 353.08797, RT: 47.60, 強度: 51711, ログ強度: 1.34, アダクト: [M-H]-, 共有数（同様のピークを含むサンプル数）: 3

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	0.470	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	0.470	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	0.470	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	0.470	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	0.470	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	0.470	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	0.470	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	0.470	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	0.470	Chrysolandol	KNApSAcK: C00015105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 353.08762

Splash: splash10-0006-0900000000-25a38d36d496723a916b

m/z	Int.	NL	Rel.Int.
191.02	51566	162	1000
179.01	20275	174	393
135.06	3686	218	71

Level: 3, プリカーサーm/z: 179.01178

Splash: splash10-001i-0900000000-001a7fcfc53e07f36601

m/z	Int.	NL	Rel.Int.
134.95	9059	44	1000

Level: 3, プリカーサーm/z: 191.01706

Splash: splash10-00gi-4900000000-b06727fced43daec9596

m/z	Int.	NL	Rel.Int.
126.95	1735	64	1000
84.92	1525	106	879
173.00	1220	18	703
171.07	604	20	348
110.94	558	80	321
92.86	537	98	309
108.90	423	82	243
86.85	247	104	142
155.00	230	36	132
58.74	182	132	104
70.85	123	120	70
191.11	120	-0	69
142.99	100	48	57

ピーク情報

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MSnスペクトル情報

FlavonoidSearch結果

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FlavonoidSearch結果