ピーク情報

リーフレタスグリーン

pos

Peak #11259 MN MID: SE198_S12_M90

m/z: 257.19027, RT: 63.14, 強度: 11704, ログ強度: 0.57, 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: (5 names) Bakuchiol;3-Deoxyestradiol;3-Deoxy-17beta-estradiol;Phenolic steroid;Montiporyne F

DBごとのヒット数: ALL 4 KG 2 KN 2

FlavonoidSearch最大スコア MS2: 0.208, MS3: 0.357

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
C18H24O	256.18272	1.084	Bakuchiol	HMDB: HMDB0248849 KNApSAcK: C00029787
C18H24O	256.18272	1.084	3-Deoxyestradiol	KEGG: C14239
C18H24O	256.18272	1.084	Phenolic steroid	HMDB: HMDB0244763 KEGG: C02453
C18H24O	256.18272	1.084	Montiporyne F	KNApSAcK: C00033210

MSnスペクトル情報

Level: 2, プリカーサーm/z: 257.19025

Splash: splash10-000j-0960000000-03e9d8f926f9c4819efa

m/z	Int.	NL	Rel.Int.
239.12	4397	18	1000
187.05	2713	70	616
197.09	2460	60	559
213.09	2363	44	537
199.15	1650	58	375
215.16	1642	42	373
183.07	1539	74	349
173.13	1455	84	330
201.16	1361	56	309
157.06	708	100	161
161.09	677	96	154
159.11	644	98	146
175.03	548	82	124
169.06	541	88	123
171.11	463	86	105
145.01	454	112	103
229.07	447	28	101
211.18	404	46	91
135.02	352	122	80
163.07	281	94	63

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.160	[2'-Hydroxychalcone]-A(3OH)-B(none)	2'-Hydroxychalcone	2',4',6'-Trihydroxychalcone
0.154	[Flavanone]-A(2OH)-B(none)	Flavanone	Pinocembrin
0.143	[2'-Hydroxychalcone]-A(1OH)-B(2OH)	2'-Hydroxychalcone	3,4,2'-Trihydroxychalcone
0.143	[2'-Hydroxychalcone]-A(2OH)-B(1OH)	2'-Hydroxychalcone	Isoliquiritigenin
0.143	[2'-Hydroxychalcone]-A(2OH)-B(1OH)	2'-Hydroxychalcone	4,2',5'-Trihydroxychalcone
0.143	[2'-Hydroxychalcone]-A(2OH)-B(1OH)	2'-Hydroxychalcone	4,2',3'-Trihydroxychalcone
0.138	[Flavanone]-A(1OH)-B(1OH)	Flavanone	Liquiritigenin
0.043	[Dihydroflavonol]-A(1OH)-B(none)	Dihydroflavonol	3,7-dihydroxyflavanone
0.036	[Isoflavanone]-A(1OH)-B(1OH)	Isoflavanone	Dihydrodaidzein
0.000	[Dihydrochalcone]-A(1OH, 1OMe)-B(none)	Dihydrochalcone	2'-Hydroxy-4'-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH, 1OMe)-B(none)	Dihydrochalcone	2'-Methoxy-4'-hydroxydihydrochalcone
0.000	[Dihydrochalcone]-A(none)-B(1OH, 1OMe)	Dihydrochalcone	2-Methoxy-4-hydroxydihydrochalcone
0.000	[Pterocarpan]-A(1OH)-B(1OH)	Pterocarpan	Demethylmedicarpin
0.000	[Aurone]-A(none)-B(1Cl)	Aurone	4'-Chloroaurone
0.000	[UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone]-A(1OMe)-B(none)	UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone	Lucidone
0.000	[Flavan]-A(1OH)-B(1OMe)	Flavan	Broussin
0.000	[Flavan]-A(1OMe)-B(1OH)	Flavan	4'-Hydroxy-7-methoxyflavan
0.000	[Flavan]-A(1OH, 1Methyl)-B(1OH)	Flavan	7,4'-Dihydroxy-8-methylflavan
0.000	[Flavan]-A(1OH, 1OMe)-B(none)	Flavan	7-Hydroxy-5-methoxyflavan
0.000	[isoflavene]-A(1OH)-B(2OH)	isoflavene	Haginin D
0.000	[2-Phenylbenzofuran]-A(1OH)-B(1OH, 1OMe)	2-Phenylbenzofuran	6-Demethylvignafuran
0.000	[2-Phenylbenzofuran]-A(1OH)-B(1OH, 1OMe)	2-Phenylbenzofuran	Centrolobofuran
0.000	[Dalbergiquinol]-A(2OH, 1OMe)-B(none)	Dalbergiquinol	Obtusaquinol

Level: 3, プリカーサーm/z: 239.15327

Splash: splash10-000t-0930000000-eaad7976b7c8f62a7efd

m/z	Int.	NL	Rel.Int.
197.06	1049	42	1000
183.02	786	56	749
211.18	413	28	393
224.17	239	15	228
169.09	182	70	173
210.14	104	29	99
196.27	94	43	89
171.06	67	68	63
157.07	61	82	58

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.357	[Flavone]-A(none)-B(1OH)	Flavone	2'-Hydroxyflavone
0.357	[Flavone]-A(1OH)-B(none)	Flavone	Primuletin
0.188	[Chalcone]-A(1OMe)-B(none)	Chalcone	4'-Methoxychalcone
0.000	[Aurone]-A(none)-B(1OH)	Aurone	2'-Hydroxyaurone

Level: 3, プリカーサーm/z: 187.04341

Splash: splash10-01bc-0900000000-1c13e673b38c1a3cbe10

m/z	Int.	NL	Rel.Int.
169.11	475	18	1000
144.99	407	42	855
171.97	342	15	719
158.99	226	28	476
131.06	84	56	176
143.04	27	44	57