ピーク情報

はつか大根　葉

neg

Peak #11452 MN MID: SE202_S21_M91

m/z: 327.08772, RT: 54.62, 強度: 19208, ログ強度: 0.82, アダクト: [2M-H]-, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (15 names) 9-hydroxy-7E-Nonene-3,5-diynoic acid;Coumaric acid;3-Oxo-3-phenylpropanoate;Benzoylacetate;3-Oxo-3-phenylpropionate;3-Oxo-3-phenylpropionic acid;Phenylpyruvate;Methyl Phenylglyoxalate;Enol-phenylpyruv...

DBごとのヒット数: ALL 10 KG 7 KN 1 HM 1 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
C9H8O3	164.04734	0.944	9-hydroxy-7E-Nonene-3,5-diynoic acid	LipidMAPS: LMFA01030721, LMFA01030722
C9H8O3	164.04734	0.944	4-Coumarate	HMDB: HMDB0002035, HMDB0030677 KEGG: C00811, C06738 KNApSAcK: C00000152, C00000580, [-1]C00026316, C00038791, C00053051
C9H8O3	164.04734	0.944	3-Oxo-3-phenylpropanoate	KEGG: C07114
C9H8O3	164.04734	0.944	Phenylpyruvate	HMDB: HMDB0000205, [-1]HMDB0304081 KEGG: C00166 KNApSAcK: C00000751, C00051759
C9H8O3	164.04734	0.944	Methyl Phenylglyoxalate	HMDB: HMDB0062605
C9H8O3	164.04734	0.944	2-Hydroxy-3-phenylpropenoate	HMDB: HMDB0012225 KEGG: C02763
C9H8O3	164.04734	0.944	Methyl p-formylbenzoate	HMDB: HMDB0254568 KNApSAcK: C00032013
C9H8O3	164.04734	0.944	trans-2-Hydroxycinnamate	HMDB: HMDB0002641, HMDB0041592, [-1]HMDB0304296 KEGG: C01772, C05838 KNApSAcK: C00002729
C9H8O3	164.04734	0.944	m-Coumaric acid	HMDB: HMDB0001713 KEGG: C12621 KNApSAcK: C00052344
C9H8O3	164.04734	0.944	Caffeic aldehyde	KEGG: C10945 KNApSAcK: C00007511

MSnスペクトル情報

Level: 2, プリカーサーm/z: 327.08749

Splash: splash10-03di-0059000000-9247293c344702649876

m/z	Int.	NL	Rel.Int.
312.13	12742	15	1000
283.20	2432	44	190
296.16	1704	31	133
297.22	1507	30	118
295.10	990	32	77
268.09	829	59	65

Level: 3, プリカーサーm/z: 312.13016

Splash: splash10-00kb-0090000000-082a8e56f123bb16b80b

m/z	Int.	NL	Rel.Int.
297.11	4050	15	1000
268.09	2652	44	654
284.16	385	28	94
253.11	256	59	63

Level: 3, プリカーサーm/z: 283.19818

Splash: splash10-0gb9-0090000000-fac5f3fc63e64f0e7e9c

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.
268.11	908	15	1000
251.06	472	32	520