ピーク情報

イネ　葉　ニッポンバレ

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Peak #3588 MN MID: SE199_S41_M91

m/z: 593.15174, RT: 38.11, 強度: 8999, ログ強度: 0.42, アダクト: [3M-H]-, 共有数（同様のピークを含むサンプル数）: 11

DB検索結果: (17 names) 3-Hydroxy-4-methoxymandelate;(3E)-3-[(1R,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]-2-oxopropanoate;Epoxy-3E-H2HPP;(+)-Epoxydon monoacetate;3,4-O-Dimethylgallic acid;Syringic acid;(R)-3-(3,...

DBごとのヒット数: ALL 16 KG 4 KN 4 HM 7 LM 1

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
C9H10O5	198.05282	0.925	3-Hydroxy-4-methoxymandelate	HMDB: HMDB0029170
C9H10O5	198.05282	0.925	(3E)-3-[(1R,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]-2-oxopropanoate	KEGG: C21086
C9H10O5	198.05282	0.925	(+)-Epoxydon monoacetate	KNApSAcK: C00023643
C9H10O5	198.05282	0.925	3,4-O-Dimethylgallic acid	HMDB: HMDB0041662
C9H10O5	198.05282	0.925	Syringic acid	HMDB: HMDB0002085 KEGG: C10833 KNApSAcK: C00002674
C9H10O5	198.05282	0.925	3-(3,4-Dihydroxyphenyl)lactate	HMDB: HMDB0003503 KEGG: C01207, C22038 KNApSAcK: C00031720, C00040202
C9H10O5	198.05282	0.925	Ethyl gallate	HMDB: HMDB0033836 KNApSAcK: C00030222
C9H10O5	198.05282	0.925	Methoxyhydroxymandelic Acid	HMDB: HMDB0254548
C9H10O5	198.05282	0.925	3-Methoxy-4-hydroxymandelate	HMDB: HMDB0000291, [-1]HMDB0304531 KEGG: C05584 KNApSAcK: C00052427
C9H10O5	198.05282	0.925	Methyl-4-O-methylgallate	KNApSAcK: C00051584
C9H10O5	198.05282	0.925	FR 198248	KNApSAcK: C00015909
C6H11O6F	198.05397	-4.845	(2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoyl Fluoride	HMDB: HMDB0242668
C6H11O6F	198.05397	-4.845	(2R,4R,5R)-1-Fluoro-1,2,4,5,6-pentahydroxyhexan-3-one	HMDB: HMDB0255313

MSnスペクトル情報

Level: 2, プリカーサーm/z: 593.15161

Splash: splash10-0fk9-0004940000-257ebbe9d8f47bf1cf0e

m/z	Int.	NL	Rel.Int.
473.19	5039	120	1000
503.27	1925	90	382
353.22	1568	240	311
383.26	1073	210	212
575.22	619	18	122

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果