ピーク情報

細ネギ（若香）地下部

pos

Peak #8235 MN MID: SE201_S21_M90

m/z: 325.04177, RT: 72.01, 強度: 148297, ログ強度: 1.59, 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: (6 names) 1-(4-Chlorophenyl)-3-((4-methylphenyl)sulfonyl)urea;UMP;Uridine 5'-phosphate;Uridine 2'-phosphate;Pseudouridine 5'-phosphate;Uridine 3'-monophosphate

DBごとのヒット数: ALL 5 KG 4 HM 1

FlavonoidSearch最大スコア MS2: 0.077, MS3: -

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
C14H13O3N2SCl	324.03354	2.930	1-(4-Chlorophenyl)-3-((4-methylphenyl)sulfonyl)urea	HMDB: HMDB0246250
C9H13O9N2P	324.03587	-4.250	UMP	HMDB: HMDB0000288, HMDB0247871 KEGG: C00105 KNApSAcK: C00007311
C9H13O9N2P	324.03587	-4.250	Uridine 2'-phosphate	HMDB: HMDB0011641 KEGG: C03031
C9H13O9N2P	324.03587	-4.250	Pseudouridine 5'-phosphate	HMDB: HMDB0001271 KEGG: C01168
C9H13O9N2P	324.03587	-4.250	3'-UMP	HMDB: HMDB0060282 KEGG: C01368

MSnスペクトル情報

Level: 2, プリカーサーm/z: 325.04166

Splash: splash10-001i-0890000000-5895b40b246dfa54c51a

m/z	Int.	NL	Rel.Int.
234.97	50600	90	1000
129.00	19449	196	384
160.94	12866	164	254
268.15	9962	57	196
131.01	7833	194	154
144.99	7739	180	152
169.00	6460	156	127
113.03	5784	212	114
203.00	5551	122	109
201.12	4806	124	94
162.89	3558	162	70
173.00	3143	152	62
97.05	2933	228	57
269.20	2551	56	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.077	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.077	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.077	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.069	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.042	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	8-Prenyldemethylmedicarpin
0.042	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	Phaseollidin
0.037	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.033	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.033	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.033	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.033	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.033	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
0.000	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
0.000	[Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Chalcone	Crotmadine
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin E
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin B
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin F
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin C
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Dorsmanin A
0.000	[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none)	Dihydrochalcone	1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone
0.000	[Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavanone	7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone
0.000	[Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none)	Flavanone	5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe)	Isoflavanone	Neoraunone
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))	Isoflavan	Crotmarine
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavan	Glabridin
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	Phaseollinisoflavan
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe)	Pterocarpan	Ambonane
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Neobanol

Level: 3, プリカーサーm/z: 234.97491

Splash: splash10-03di-0900000000-832071b874404eae6068

m/z	Int.	NL	Rel.Int.
112.92	7962	122	1000
160.91	3830	74	481
142.99	1876	92	235
111.03	1773	124	222
129.04	1580	106	198
177.00	941	58	118
104.88	869	130	109
144.86	861	90	108
143.98	610	91	76
129.80	445	105	55

Level: 3, プリカーサーm/z: 128.95258

Splash: splash10-0udi-1900000000-d06c3f8625fdc15c4fb4

m/z	Int.	NL	Rel.Int.
100.99	1204	28	1000
94.99	136	34	113

関連ピーク情報

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	共有数
	71.96	370.09986	45.0581	0.25	[M+C2H7N+H]+	(6 names) UMP; Uridine 5'-phosphate; Uridine 2'-phosphate; Pseudouridine 5'-phosphate; Uridine 3'-monophosphate; 1-(4-Chlorophenyl)-3-((4-methylphenyl)sulfonyl)urea	ALL 5 KG 4 HM 1			1
	72.12	357.06799	32.0262	-0.05	[M+CH3OH+H]+	(6 names) 1-(4-Chlorophenyl)-3-((4-methylphenyl)sulfonyl)urea; UMP; Uridine 5'-phosphate; Uridine 2'-phosphate; Pseudouridine 5'-phosphate; Uridine 3'-monophosphate	ALL 5 KG 4 HM 1			2
	71.98	356.08399	31.0422	0.10	[M+CH5N+H]+	(6 names) 1-(4-Chlorophenyl)-3-((4-methylphenyl)sulfonyl)urea; UMP; Uridine 5'-phosphate; Uridine 2'-phosphate; Pseudouridine 5'-phosphate; Uridine 3'-monophosphate	ALL 5 KG 4 HM 1			1
8235	72.01	325.04177	0.0000	1.59	[M+H]+	(6 names) 1-(4-Chlorophenyl)-3-((4-methylphenyl)sulfonyl)urea; UMP; Uridine 5'-phosphate; Uridine 2'-phosphate; Pseudouridine 5'-phosphate; Uridine 3'-monophosphate	ALL 5 KG 4 HM 1	MS2 MS3 x 2	0.077	1