ピーク情報

トマト Micro-Tom 成熟果実の果皮

neg

Peak #3972 MN MID: SE203_S11_M91

m/z: 353.08782, RT: 38.44, 強度: 24392, ログ強度: 0.94, 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	0.034	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	0.034	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	0.034	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	0.034	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	0.034	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	0.034	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	0.034	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	0.034	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	0.034	Chrysolandol	KNApSAcK: C00015105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 353.08777

Splash: splash10-0006-0900000000-53700c093355870459cf

m/z	Int.	NL	Rel.Int.
191.03	84871	162	1000

Level: 3, プリカーサーm/z: 190.99100

Splash: splash10-00gi-4900000000-0429a46021af45ceabe1

m/z	Int.	NL	Rel.Int.
173.04	2452	18	1000
126.91	2412	64	983
84.94	1953	106	796
92.91	989	98	403
110.89	835	80	340
171.04	656	20	267
86.98	424	104	172
108.95	414	82	168
98.94	175	92	71
58.81	174	132	71
152.89	172	38	69

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果