ピーク情報

リーフレタスグリーン

pos

Peak #11691 MN MID: SE198_S12_M90

m/z: 458.14824, RT: 69.22, 強度: 45938, ログ強度: 1.17, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (4 names) Hallactone B;Isolariciresinol sulfate;RSL3;(1S,3R)-RSL3

DBごとのヒット数: ALL 3 KG 2 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.040

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
C20H24O9S	440.11410	0.711	Hallactone B	KEGG: C09105 KNApSAcK: C00000277
C20H24O9S	440.11410	0.711	Isolariciresinol sulfate	HMDB: HMDB0240703
C23H21O5N2Cl	440.11390	1.173	RSL3	KEGG: C21479

MSnスペクトル情報

Level: 2, プリカーサーm/z: 458.14828

Splash: splash10-0006-0000900000-1f2dd365ce643c5b21ab

m/z	Int.	NL	Rel.Int.
441.02	3258	17	1000

Level: 3, プリカーサーm/z: 440.97000

Splash: splash10-000f-0094000000-2fc4e846ca49088f4042

m/z	Int.	NL	Rel.Int.
241.06	137	200	1000
338.92	96	102	702
265.11	52	176	382
343.28	40	98	290
247.03	35	194	253
259.15	13	182	95
187.15	12	254	86
203.35	10	238	74
201.29	9	240	64
213.15	8	228	62
215.15	8	226	60
197.15	8	244	55
184.93	7	256	53
219.13	7	222	51

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.040	[Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(2OH)	Dihydroflavonol	Kushenol L
0.037	[Flavanone]-A(2OH, 2(C-Prenyl))-B(3OH)	Flavanone	Kenusanone B
0.000	[Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Dihydrochalcone	3,2',4',6'-Tetrahydroxy-4-methoxy-3',5-diprenyldihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH)	Dihydrochalcone	3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe, 1(3-Hydroxy-3-methylbutyl))	Flavanone	5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone
0.000	[Flavanone]-A(2([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)) )-B(1OH)	Flavanone	Lonchocarpol E
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH)	Flavanone	2'',3''-Dihydroxylupinifolin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH)	Flavanone	Dorsmanin H
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavanone	Dorsmanin F
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavanone	Dorsmanin G
0.000	[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavanone	Abyssinoflavanone V
0.000	[Flavanone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavanone	Abyssinoflavanone VI
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(3OH)	Flavanone	Sophoraflavanone D
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(3OH)	Flavanone	Sophoraflavanone E
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone C
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone G
0.000	[Dihydroflavonol]-A(2OH, 1Geranyl)-B(2OH)	Dihydroflavonol	Diplacol
0.000	[Dihydroflavonol]-A(2OH, 1Lavandulyl)-B(2OH)	Dihydroflavonol	Kushenol X
0.000	[Flavan 3-ol]-A(1OH)-B(3OH)	Flavan 3-ol	6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
0.000	[Flavan 3-ol]-A(2OH)-B(1OH, 1([3,4:@@]-(5,6,7-Trihydroxy-1-oxoisochromene)))	Flavan 3-ol	Amurensisin
0.000	[12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	12a-Hydroxyrotenone	12a-Hydroxyerythynone

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
11691	69.22	458.14824	0.0000	1.17	[M+NH4]+	(4 names) Hallactone B; Isolariciresinol sulfate; RSL3; (1S,3R)-RSL3	ALL 3 KG 2 HM 1	MS2 MS3		0.040	N 0	S 1	1
	69.20	441.12114	-17.0271	2.72	[M+H]+	(4 names) RSL3; (1S,3R)-RSL3; Hallactone B; Isolariciresinol sulfate	ALL 3 KG 2 HM 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

FlavonoidSearch結果

FlavonoidSearch結果

関連ピーク情報