ピーク情報

リーフレタスグリーン

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Peak #7894 MN MID: SE198_S12_M90

m/z: 341.06908, RT: 47.57, 強度: 1140490, ログ強度: 2.56, アダクト: [M+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-Deoxylactucin-8-sulfate

DBごとのヒット数: ALL 1 KN 1

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: 1

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
C15H16O7S	340.06167	0.369	15-Deoxylactucin-8-sulfate	KNApSAcK: C00033530

MSnスペクトル情報

Level: 2, プリカーサーm/z: 341.06845

Splash: splash10-0006-0090000000-beebf1d025fea8521b85

m/z	Int.	NL	Rel.Int.
243.07	675372	98	1000
261.13	52541	80	77

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavanone	Kushenol S
[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavanone	6-Prenylnaringenin
[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavanone	Sophoraflavanone B
[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl))	Flavanone	Licoflavanone
[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none)	Dihydroflavonol	8-Prenylpinobanksin
[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none)	Dihydroflavonol	6-Prenylpinobanksin
[Flavanone]-A(1OH, 1(C-Prenyl))-B(2OH)	Flavanone	Euchrenone a7
[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH)	Isoflavanone	Dihydrowighteone
[Isoflavanone]-A(1OH, 1(C-Prenyl))-B(2OH)	Isoflavanone	7,2',4'-Trihydroxy-8-prenylisoflavanone
[2'-Hydroxychalcone]-A(2OH)-B(2OH, 1(C-Prenyl))	2'-Hydroxychalcone	Broussochalcone A
[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(2OH)	2'-Hydroxychalcone	Morachalcone A
[2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	2'-Hydroxychalcone	Psorachalcone A
[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	2'-Hydroxychalcone	Bakuchalcone
[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Bavachromanol
[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	2'-Hydroxychalcone	5-Prenyl-6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Helikrausichalcone
[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	beta-Hydroxy(or Oxodihydro)chalcone	5'-Prenyllicodione
[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	beta-Hydroxy(or Oxodihydro)chalcone	Kanzonol A
[Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Dihydrochalcone	Crotin (chalcone)
[Dihydrochalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	Dihydrochalcone	2',6'-Dihydroxy-4'-methoxy-3'-prenyldihydrochalcone
[Flavanone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	Flavanone	Brosimacutin D
[Flavanone]-A(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Flavanone	Brosimacutin E
[Flavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(none)	Flavanone	5,7-Dihydroxy-8-C-(4-hydroxy-3-methyl-2-butenyl)flavanone
[Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH)	Flavanone	5,7,4'-Trihydroxy-6-(1,1-dimethylallyl)flavanone
[Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH)	Flavanone	Ugonin E
[Flavanone]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH)	Flavanone	5,4'-Dihydroxy-4'',4''-Dimethyl-5''-[2'',3'':7,6]methyldihydrofuranoflavanone
[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Flavone	7-Methoxy-5,6:3',4'-bis(methylenedioxy)flavone
[CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	CCS-type derivative / [3,2']-Epoxymethanoflavone	Pulcherrimin
[Isoflavan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavan	2'-O-Methylphaseollidinisoflavan
[Isoflavan]-A(1OH, 1(1,1-Dimethylallyl))-B(1OH, 1OMe)	Isoflavan	Millinol B
[Isoflavan]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavan	4'-O-Methylpreglabridin
[isoflavan-4-ol]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	isoflavan-4-ol	Ambanol
[Pterocarpan]-A(1OH)-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	Pterocarpan	10-(2-Hydroxy-3-methyl-3-butenyl)demethylmedicarpin
[Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan-6a-ol	Sandwicarpin
[Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan-6a-ol	Glyceocarpin
[Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan-6a-ol	Glyceollidin I
[2-Phenylbenzofuran]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	2-Phenylbenzofuran	Licocoumarone

Level: 3, プリカーサーm/z: 243.14368

Splash: splash10-0002-0940000000-de4c25a0ff270227982a

m/z	Int.	NL	Rel.Int.
197.07	76521	46	1000
215.07	29722	28	388
225.09	16674	18	217
187.08	11667	56	152
201.12	7619	42	99
169.12	6867	74	89
173.04	5615	70	73

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Isoflavan]-A(1OH)-B(1OH)	Isoflavan	Equol
[Dihydrochalcone]-A(2OH)-B(none)	Dihydrochalcone	2',4'-Dihydroxydihydrochalcone
[Flavan]-A(1OH)-B(1OH)	Flavan	7,4'-Dihydroxyflavan
[Flavan]-A(2OH)-B(none)	Flavan	5,7-Dihydroxyflavan
[2-Phenylbenzofuran]-A(1OH)-B(2OH)	2-Phenylbenzofuran	6,2',4'-Trihydroxy-2-phenylbenzofuran

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	FS2	FS3	N原子数	S原子数	共有数
	47.57	382.09564	41.0266	1.97	[M+ACN+H]+	15-Deoxylactucin-8-sulfate	ALL 1 KN 1	MS2			N 0	S 1	1
7894	47.57	341.06908	0.0000	2.56	[M+H]+	15-Deoxylactucin-8-sulfate	ALL 1 KN 1	MS2 MS3			N 0	S 1	1

ピーク情報

DB検索結果

MSnスペクトル情報

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FlavonoidSearch結果

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