ピーク情報

リーフレタスグリーン

pos

Peak #11448 MN MID: SE198_S12_M90

m/z: 257.19014, RT: 64.72, 強度: 5029, ログ強度: 0.20, 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: 0.091, 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	0.564	Bakuchiol	HMDB: HMDB0248849 KNApSAcK: C00029787
C18H24O	256.18272	0.564	3-Deoxyestradiol	KEGG: C14239
C18H24O	256.18272	0.564	Phenolic steroid	HMDB: HMDB0244763 KEGG: C02453
C18H24O	256.18272	0.564	Montiporyne F	KNApSAcK: C00033210

MSnスペクトル情報

Level: 2, プリカーサーm/z: 257.19012

Splash: splash10-01p9-0890000000-a4246c7a04b6039c0675

m/z	Int.	NL	Rel.Int.
239.13	2160	18	1000
213.14	1660	44	768
215.20	1271	42	588
172.98	1156	84	535
199.08	718	58	332
201.12	696	56	322
161.07	662	96	306
187.13	658	70	304
197.09	562	60	260
183.18	477	74	221
175.12	431	82	199
159.04	423	98	195
157.00	340	100	157
171.14	246	86	113
214.32	177	43	82
145.13	175	112	81
229.24	150	28	69
211.16	143	46	66
96.96	139	160	64
135.13	129	122	59

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: 239.12111

Splash: splash10-000t-0930000000-1b24ab265a831c186607

m/z	Int.	NL	Rel.Int.
197.03	355	42	1000
183.13	276	56	777
211.13	163	28	458
224.23	149	15	420
168.97	68	70	190
157.08	39	82	111
210.18	33	29	91
133.07	20	106	57
154.94	19	84	54

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: 213.12062

Splash: splash10-05fr-0900000000-ceb377912afaef6e152c

m/z	Int.	NL	Rel.Int.
171.06	299	42	1000
157.04	253	56	845
198.22	68	15	227
185.13	42	28	141
143.08	36	70	119
119.07	18	94	61