ピーク情報

トマト Micro-Tom 花

neg

Peak #5195 MN MID: SE203_S31_M91

m/z: 353.08801, RT: 37.52, 強度: 6674910, ログ強度: 3.33, アダクト: [M-H]-, 共有数（同様のピークを含むサンプル数）: 8

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	0.579	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	0.579	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	0.579	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	0.579	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	0.579	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	0.579	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	0.579	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	0.579	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	0.579	Chrysolandol	KNApSAcK: C00015105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 353.08810

Splash: splash10-0006-0900000000-96089c3a62a3e281949a

m/z	Int.	NL	Rel.Int.
191.01	2797466	162	1000

Level: 3, プリカーサーm/z: 191.05350

Splash: splash10-00gi-3900000000-ae89b55e0f3da77b5f5d

m/z	Int.	NL	Rel.Int.
126.97	66576	64	1000
84.92	43553	106	654
173.01	39345	18	590
171.09	27884	20	418
92.97	25488	98	382
110.95	22642	80	340
108.99	20574	82	309
153.07	6736	38	101
87.04	6037	104	90
154.95	4350	36	65
70.82	3724	120	55

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果