ピーク情報

リーフレタスグリーン

pos

Peak #8136 MN MID: SE198_S12_M90

m/z: 457.20717, RT: 48.42, 強度: 274664, ログ強度: 1.94, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 10

DB検索結果: (14 names) 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol;3-O-Methylpaeonisuffral;(+)-3-O-Methylpaeonisuffral;Glycerol 1,2-dimethacrylate;Loganetin;(+)-cyclopentanecarboxylic acid;Xanthocidin;(+)-Xant...

DBごとのヒット数: ALL 10 KN 5 HM 3 LM 2

FlavonoidSearch最大スコア MS2: -, MS3: -

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 0

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
C11H16O5	228.09977	0.750	2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol	LipidMAPS: LMFA05000013
C11H16O5	228.09977	0.750	3-O-Methylpaeonisuffral	KNApSAcK: C00032653
C11H16O5	228.09977	0.750	Glycerol 1,2-dimethacrylate	HMDB: HMDB0252838
C11H16O5	228.09977	0.750	Loganetin	KEGG: C22676 KNApSAcK: C00036132
C11H16O5	228.09977	0.750	(+)-cyclopentanecarboxylic acid	KNApSAcK: C00018734
C11H16O5	228.09977	0.750	Octahydro-6-hydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid	KNApSAcK: C00010643
C11H16O5	228.09977	0.750	Decarestrictin E	KNApSAcK: C00016723
C11H16O5	228.09977	0.750	Propyl propane thiosulfonate	HMDB: HMDB0032496
C11H16O5	228.09977	0.750	8-oxo-3S-carboxy-2-methylidenenonanoic acid	LipidMAPS: LMFA01170148

MSnスペクトル情報

Level: 2, プリカーサーm/z: 457.20709

Splash: splash10-0a4i-0190000000-f93e7d911e1624fc15c8

m/z	Int.	NL	Rel.Int.
209.11	10821	248	1000
165.04	1062	292	98
191.07	668	266	61

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Vanilloyl))	Flavan 3-ol	Gallocatechin 3-O-vanillate
[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-1(OMe)-Galloyl))	Flavan 3-ol	Catechin 3-O-(3-O-methylgallate)
[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-1(OMe)-Galloyl))	Flavan 3-ol	Catechin 3-O-(4-O-methylgallate)
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH)	2'-Hydroxychalcone	Kuraridinol
[CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(1OH, 1OMe, 1(C-Prenyl))	CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone	Antiarone J
[Flavanone]-A(2OH, 1(2-(2-hydroxyisopropyl)-5-methyl-4-hexenyl))-B(2OH)	Flavanone	Kushenol Q
[Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH, 1OMe)	Flavanone	Kushenol P
[Flavonol]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH)	Flavonol	Kushenol G
[Isoflavone]-A(2OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone M

Level: 3, プリカーサーm/z: 209.16949

Splash: splash10-014i-0900000000-c6f09a0094ac7ff59b2e

m/z	Int.	NL	Rel.Int.
165.11	3055	44	1000
149.08	1516	60	496
120.97	180	88	58

Level: 3, プリカーサーm/z: 165.11220

Splash: splash10-00e9-3900000000-03f46372ff55bee9a44e

m/z	Int.	NL	Rel.Int.
123.04	93	42	1000
80.94	63	84	680
147.10	41	18	442
137.10	40	28	428
108.98	32	56	339
94.91	27	70	295
120.99	22	44	232
107.05	18	58	193
68.81	12	96	128
119.05	9	46	93
79.10	8	86	84
105.11	6	60	65
91.10	5	74	58
111.10	5	54	51

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

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