ピーク情報

トマト Micro-Tom 成熟果実の果肉

neg

Peak #7549 MN MID: SE203_S21_M91

m/z: 353.08802, RT: 51.95, 強度: 4730, ログ強度: 0.31, 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	0.592	Scopolin	HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500
C16H18O9	354.09508	0.592	1-(3,4-Dihydroxycinnamoyl)quinic acid	HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231
C16H18O9	354.09508	0.592	Magnolioside	KNApSAcK: C00053451
C16H18O9	354.09508	0.592	trans-4-Caffeoylquinic acid	HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843
C16H18O9	354.09508	0.592	7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone	KNApSAcK: C00055698
C16H18O9	354.09508	0.592	Chlorogenate	HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767
C16H18O9	354.09508	0.592	Isobiflorin	HMDB: HMDB0040632 KNApSAcK: C00030518
C16H18O9	354.09508	0.592	Biflorin	HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417
C16H18O9	354.09508	0.592	Chrysolandol	KNApSAcK: C00015105

MSnスペクトル情報

Level: 2, プリカーサーm/z: 353.08798

Splash: splash10-00fr-0900000000-663dc3af2558fb85fc17

m/z	Int.	NL	Rel.Int.
172.99	3836	180	1000
179.00	2177	174	567
191.04	1118	162	291
134.99	239	218	62

Level: 3, プリカーサーm/z: 179.08046

Splash: splash10-001i-0900000000-e15638ed28bff3b124bd

m/z	Int.	NL	Rel.Int.
134.93	859	44	1000

Level: 3, プリカーサーm/z: 173.00395

Splash: splash10-01ox-9600000000-eeba99825c229a30df3d

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.
92.89	225	80	1000
110.86	117	62	520
155.08	62	18	276
70.97	53	102	237
58.83	38	114	168
109.05	21	64	94
137.02	21	36	91
127.07	20	46	89
60.84	14	112	63
66.88	14	106	60