ピーク情報

トマト Micro-Tom 成熟果実の果皮

neg

Peak #8777 MN MID: SE203_S11_M91

m/z: 353.08801, RT: 53.64, 強度: 123377, ログ強度: 1.65, 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	0.579	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: 353.08749

Splash: splash10-00fr-0900000000-0dcad400a9cce84fdaab

m/z	Int.	NL	Rel.Int.
172.97	58790	180	1000
178.95	40632	174	691
191.11	25886	162	440
134.93	4741	218	80

Level: 3, プリカーサーm/z: 178.95459

Splash: splash10-001i-0900000000-396488238985f7cfdb15

m/z	Int.	NL	Rel.Int.
134.97	13877	44	1000

Level: 3, プリカーサーm/z: 172.97380

Splash: splash10-0006-9400000000-2d2a68cf055e7b7190d0

m/z	Int.	NL	Rel.Int.
92.94	4989	80	1000
111.02	1824	62	365
70.90	880	102	176
154.98	790	18	158
80.96	354	92	70
137.04	277	36	55
58.83	269	114	53
108.96	256	64	51

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