ピーク情報

はつか大根　葉

pos

Peak #3713 MN MID: SE202_S21_M90

m/z: 367.16868, RT: 35.78, 強度: 7761, ログ強度: 0.44, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (2 names) 1-[(1R,2R,3S,4S)-3-Hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)sulfonylurea;Capillaridin G

DBごとのヒット数: ALL 2 KN 1 HM 1

FlavonoidSearch最大スコア MS2: 0.118, MS3: 0.033

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
C18H26O4N2S	366.16133	0.201	1-[(1R,2R,3S,4S)-3-Hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)sulfonylurea	HMDB: HMDB0245721
C26H22O2	366.16198	-1.579	Capillaridin G	KNApSAcK: C00049131, C00049132

MSnスペクトル情報

Level: 2, プリカーサーm/z: 367.16855

Splash: splash10-0udi-0192000000-46e7d0ed6d6efd6aa9ed

m/z	Int.	NL	Rel.Int.
202.99	7130	164	1000
321.19	1254	46	175
264.23	910	103	127
348.34	710	19	99
161.97	641	205	89
156.98	573	210	80
192.18	480	175	67
349.23	469	18	65
246.12	375	121	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.118	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	2'-Hydroxychalcone	3,4-Dimethoxylonchocarpin
0.111	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Flavanone	Ponganone III
0.080	[Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Barpisoflavone C
0.080	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Isoflavone	3'-Hydroxyalpinumisoflavone 4'-methyl ether
0.056	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	2'-Hydroxychalcone	Glychalcone A
0.056	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	2'-Hydroxychalcone	6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone
0.053	[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavanone	Glyflavanone A
0.043	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavonol	6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether
0.000	[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Coumestan	Mirificoumestan
0.000	[Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Coumestan	Puerarostan
0.000	[Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Coumestan	3,9-Dihydroxy-1-methoxy-8-prenylcoumestan
0.000	[Coumestan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Coumestan	Glycyrol
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavone	Racemoflavone
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavone	5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Pterocarpan	Edulenane
0.000	[2'-Hydroxychalcone]-A(2OH, 1(3-methyl-6-oxo-2-hexenyl))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol C
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	Praecansone B
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Flavanone	O-Methylovaliflavanone C
0.000	[Flavone]-A(2OMe, 1(cis-3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavone	cis-Tephrostachin
0.000	[Flavone]-A(2OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavone	trans-Tephrostachin
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(2OH)	Flavone	Desmodol
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3'-Methoxypongapin
0.000	[Flavonol]-A(2OH, 1Sulfate)-B(1OH)	Flavonol	Kaempferol 8-C-sulfate
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavonol	Vellokaempferol 3-methyl ether
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Isoflavone	Derrubone
0.000	[Pterocarpan]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neorautenanol
0.000	[Coumestan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Coumestan	Isoglycyrol
0.000	[Rotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Rotenone	Pachyrrhizone
0.000	[12a-Hydroxyrotenone (12a-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	12a-Methoxydolineone
0.000	[3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	3-Phenylcoumarin	Neofolin

Level: 3, プリカーサーm/z: 202.99614

Splash: splash10-08fr-0900000000-1da2c0b6bdf1669d471e

m/z	Int.	NL	Rel.Int.
161.94	1501	41	1000
156.99	777	46	517
143.94	405	59	269
185.05	356	18	237
99.96	171	103	114

Level: 3, プリカーサーm/z: 321.20609

Splash: splash10-08fr-0940000000-d1736e5f7e5fc9b28a04

m/z	Int.	NL	Rel.Int.
157.01	90	164	1000
264.25	76	57	836
115.88	28	205	308
246.15	20	75	217
153.85	18	167	203
149.11	17	172	183
263.42	15	58	166
191.36	14	130	155
131.16	13	190	144
144.83	13	176	143
303.28	12	18	137
166.36	11	155	126
133.06	10	188	113
107.07	10	214	108
269.35	9	52	103
192.26	9	129	98
138.97	8	182	89
205.19	6	116	69
142.99	6	178	66
223.12	6	98	66

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.065	[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Erythrinin A
0.032	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	5-Hydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavone
0.031	[Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Corylin
0.000	[Dihydroflavonol]-A(2OH)-B(3OH)	Dihydroflavonol	3,5,7,3',4',5'-Hexahydroxyflavanone
0.000	[Flavan 3-ol]-A(2OH, 1OMe)-B(2OH)	Flavan 3-ol	3,5,7,3',4'-Pentahydroxy-6-methoxyflavan
0.000	[Flavan 3-ol]-A(2OH)-B(2OH, 1OMe)	Flavan 3-ol	Gallocatechin 4'-methyl ether
0.000	[Auronol]-A(2OH)-B(3OH)	Auronol	Amaronol A
0.000	[alpha-Hydroxychalcone]-A(4OH)-B(2OH)	alpha-Hydroxychalcone	3,4,2',3',4',6',alpha-Heptahydroxychalcone
0.000	[Dihydrochalcone beta-ol]-A(2OH)-B(2OH, 1OMe)	Dihydrochalcone beta-ol	Gliricidol
0.000	[3-substituted Flavanone (3-Methyl)]-A(2OH, 1Cl)-B(1OH)	3-substituted Flavanone	8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone
0.000	[Flavan 3,4-diol]-A(1OH, 1OMe)-B(2OH)	Flavan 3,4-diol	Mesquitol-4alpha-ol 8-methyl ether
0.000	[Flavan 3,4-diol]-A(2OH)-B(1OH, 1OMe)	Flavan 3,4-diol	Catechin-4-ol 3'-methyl ether
0.000	[Flav-3-ene]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none)	Flav-3-ene	Hildgardtene
0.000	[Pterocarpene]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpene	Anhydrotuberosin
0.000	[Coumestan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Coumestan	Erosnin