ピーク情報

トマト Micro-Tom 成熟果実の果皮

neg

Peak #6726 MN MID: SE203_S11_M91

m/z: 353.08797, RT: 47.41, 強度: 22855, ログ強度: 0.91, アダクト: [M-H]-, 共有数（同様のピークを含むサンプル数）: 3

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	0.461	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	0.461	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	0.461	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	0.461	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	0.461	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	0.461	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	0.461	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	0.461	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	0.461	Chrysolandol	KNApSAcK: C00015105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 353.08780

Splash: splash10-0006-0900000000-1f04be9936411153370d

m/z	Int.	NL	Rel.Int.
191.03	86470	162	1000
179.01	35025	174	405
135.04	7140	218	82

Level: 3, プリカーサーm/z: 179.06229

Splash: splash10-000i-0900000000-7d76620247a5cf6c6ded

m/z	Int.	NL	Rel.Int.
135.03	14643	44	1000

Level: 3, プリカーサーm/z: 191.09239

Splash: splash10-00ai-6900000000-df24dd8370857959082c

m/z	Int.	NL	Rel.Int.
84.90	2922	106	1000
126.91	2269	64	776
172.97	2203	18	753
92.96	1106	98	378
111.06	869	80	297
108.92	756	82	258
171.17	518	20	177
154.99	442	36	151
86.97	388	104	132
99.03	229	92	78
70.89	213	120	72
153.08	197	38	67

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

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FlavonoidSearch結果