ピーク情報

リーフレタスグリーン

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Peak #8492 MN MID: SE198_S12_M90

m/z: 474.23385, RT: 49.72, 強度: 227960, ログ強度: 1.86, アダクト: [2M+NH4]+, 共有数（同様のピークを含むサンプル数）: 11

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	1.040	2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol	LipidMAPS: LMFA05000013
C11H16O5	228.09977	1.040	3-O-Methylpaeonisuffral	KNApSAcK: C00032653
C11H16O5	228.09977	1.040	Glycerol 1,2-dimethacrylate	HMDB: HMDB0252838
C11H16O5	228.09977	1.040	Loganetin	KEGG: C22676 KNApSAcK: C00036132
C11H16O5	228.09977	1.040	(+)-cyclopentanecarboxylic acid	KNApSAcK: C00018734
C11H16O5	228.09977	1.040	Octahydro-6-hydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid	KNApSAcK: C00010643
C11H16O5	228.09977	1.040	Decarestrictin E	KNApSAcK: C00016723
C11H16O5	228.09977	1.040	Propyl propane thiosulfonate	HMDB: HMDB0032496
C11H16O5	228.09977	1.040	8-oxo-3S-carboxy-2-methylidenenonanoic acid	LipidMAPS: LMFA01170148
C12H12ON4	228.10111	-4.824	3-Hydroxyamino-4,6-dimethyldipyrido(1,2-a:3',2'-d)imidazole	HMDB: HMDB0249731

MSnスペクトル情報

Level: 2, プリカーサーm/z: 474.23380

Splash: splash10-0a4i-0010900000-efb301ba7097b1e87bbc

m/z	Int.	NL	Rel.Int.
456.98	670	17	1000
456.12	124	18	184
439.11	122	35	181
403.10	98	71	146
225.16	87	249	130
438.36	84	36	124
429.21	83	45	123
421.05	78	53	116
165.99	70	308	105
165.05	69	309	102
226.14	54	248	81
207.12	41	267	61
428.25	36	46	53

Level: 3, プリカーサーm/z: 457.04709

Splash: splash10-0a4u-0159600000-7a974ad99f4bf107189e

m/z	Int.	NL	Rel.Int.
241.15	26	216	1000
438.46	19	19	749
357.29	12	100	462
356.39	11	101	433
338.86	8	118	301
359.03	6	98	230
314.39	5	143	179
176.94	3	280	111
428.12	3	29	111
400.76	3	56	109
439.42	2	18	71
196.92	2	260	69
412.34	1	45	52

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

関連ピーク情報

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS3	N原子数	S原子数	共有数
	49.70	502.26539	28.0315	1.59	[2M+C2H7N+H]+	(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...	ALL 10 KN 5 HM 3 LM 2	MS2 MS3 x 2	0.167	N 0	S 0	7
8492	49.72	474.23385	0.0000	1.86	[2M+NH4]+	(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...	ALL 10 KN 5 HM 3 LM 2	MS2 MS3		N 0	S 0	11
	49.72	457.20710	-17.0268	2.27	[2M+H]+	(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...	ALL 10 KN 5 HM 3 LM 2	MS2 MS3 x 2	0.118	N 0	S 0	14

ピーク情報

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MSnスペクトル情報

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