ピーク情報

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Peak #1247 MN MID: SE113_S050182_M90

m/z: 452.17598, RT: 19.38, 強度: 2496, ログ強度: 0.05, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (2 names) 4-Amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-hydroxybenzamide;Succinyl-trialanine-4-nitroanilide

DBごとのヒット数: ALL 2 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.038

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
C22H27O4N3ClF	451.16741	2.867	4-Amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-hydroxybenzamide	HMDB: HMDB0245274
C19H25O8N5	451.17031	-3.561	Succinyl-trialanine-4-nitroanilide	HMDB: HMDB0258533

MSnスペクトル情報

Level: 2, プリカーサーm/z: 452.17493

Splash: splash10-00di-0119000000-6530bd6da650d4d09e79

m/z	Int.	NL	Rel.Int.
324.90	3298	127	1000
162.89	506	289	153
289.03	250	163	75
271.06	205	181	62
272.82	183	179	55

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Isoflavone]-A(2OH)-B(1OH, 1OMe, 2(C-Prenyl), 1Amino)	Isoflavone	Piscerythramine

Level: 3, プリカーサーm/z: 324.89801

Splash: splash10-03dr-0970000000-b1539fb842d12892d022

m/z	Int.	NL	Rel.Int.
162.73	53	162	1000
289.27	45	36	854
144.44	27	180	517
288.67	22	36	417
126.90	21	198	402
271.21	15	54	287
161.85	10	163	189
213.04	8	112	155
373.50	5	-49	87
145.11	3	180	60

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.038	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.000	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.000	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.000	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	8-Prenyldemethylmedicarpin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	Phaseollidin
0.000	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.000	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.000	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
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: 162.89119

Splash: splash10-0002-0291000000-445df18c15c89b7c8460

m/z	Int.	NL	Rel.Int.
246.51	10	-84	1000
144.67	3	18	258
331.22	1	-168	127