ピーク情報

トマト Micro-Tom 成熟果実の果肉

neg

Peak #6837 MN MID: SE203_S21_M91

m/z: 353.08794, RT: 48.29, 強度: 185620, ログ強度: 1.90, 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	0.383	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	0.383	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	0.383	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	0.383	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	0.383	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	0.383	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	0.383	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	0.383	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	0.383	Chrysolandol	KNApSAcK: C00015105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 353.08771

Splash: splash10-00fr-0900000000-2e3b624326e306cd523f

m/z	Int.	NL	Rel.Int.
172.99	93368	180	1000
179.09	55615	174	595
191.05	17920	162	191
134.99	6072	218	65

Level: 3, プリカーサーm/z: 178.97589

Splash: splash10-000i-0900000000-da2d7a08d9d377d7bc1b

m/z	Int.	NL	Rel.Int.
135.04	23205	44	1000

Level: 3, プリカーサーm/z: 173.00731

Splash: splash10-01ox-9700000000-b9df88459799b3152ab2

m/z	Int.	NL	Rel.Int.
92.89	6624	80	1000
110.96	3551	62	536
155.02	1574	18	237
70.83	1265	102	190
108.94	993	64	149
137.04	837	36	126
58.91	492	114	74
126.96	387	46	58
80.88	333	92	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