ピーク情報

トマト Micro-Tom 成熟果実の果肉

neg

Peak #2814 MN MID: SE203_S21_M91

m/z: 353.08778, RT: 33.34, 強度: 4184, ログ強度: 0.32, アダクト: [M-H]-, 共有数（同様のピークを含むサンプル数）: 7

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	-0.062	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	-0.062	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	-0.062	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	-0.062	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	-0.062	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	-0.062	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	-0.062	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	-0.062	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	-0.062	Chrysolandol	KNApSAcK: C00015105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 353.08780

Splash: splash10-0006-0900000000-0709a075a28eeef9372e

m/z	Int.	NL	Rel.Int.
191.04	6572	162	1000
179.03	2688	174	408
134.98	415	218	63

Level: 3, プリカーサーm/z: 179.05487

Splash: splash10-001i-0900000000-2306edb488a719fd2b81

m/z	Int.	NL	Rel.Int.
134.93	1127	44	1000

Level: 3, プリカーサーm/z: 191.01363

Splash: splash10-00gl-5900000000-ad06ed46abac1c95920c

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

m/z	Int.	NL	Rel.Int.
127.01	184	64	1000
84.88	157	106	850
173.08	142	18	770
92.91	116	98	632
171.01	56	20	304
111.03	53	80	287
86.81	42	104	227
109.03	40	82	218