ピーク情報

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pos

Peak #2200 MN MID: SE113_S050182_M90

m/z: 381.16541, RT: 39.57, 強度: 6920, ログ強度: 0.50, 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) N-(1-Deoxy-1-fructosyl)tryptophan;Upadacitinib

DBごとのヒット数: ALL 2 HM 2

FlavonoidSearch最大スコア MS2: -, 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
C18H24O7N2	380.15835	-0.561	N-(1-Deoxy-1-fructosyl)tryptophan	HMDB: HMDB0037847
C17H19ON6F3	380.15724	2.352	Upadacitinib	HMDB: HMDB0259708

MSnスペクトル情報

Level: 2, プリカーサーm/z: 381.16516

Splash: splash10-0udi-0090000000-37323353154f89dcd087

m/z	Int.	NL	Rel.Int.
201.09	14855	180	1000
219.09	2711	162	182

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Coumestan]-A(2OMe, 1(C-Prenyl))-B(1OH)	Coumestan	1-O-Methylglycyrol
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	2'-Hydroxychalcone	Glabrachromene I
[beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	7-Methoxypraecansone B
[beta-Hydroxy(or Oxodihydro)chalcone (2-OMe)]-A(none)-B(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	beta-Hydroxy(or Oxodihydro)chalcone	Praecanson A
[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Ovalichromene A
[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-Furano))	Flavanone	Abyssinoflavanone IV
[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Isoglabrachromene
[Flavone]-A(1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	Flavone	Multijuginol
[Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Muxiangrin II
[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavonol	4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavonol	Vellokaempferol 3,5-dimethyl ether
[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OMe)	Flavonol	Vellokaempferol 3,4'-dimethyl ether
[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Isoflavone	Predurmillone
[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Robustic acid

Level: 3, プリカーサーm/z: 219.09286

Splash: splash10-0udi-0090000000-fde303467c23cb46e684

m/z	Int.	NL	Rel.Int.
201.05	1456	18	1000

Level: 3, プリカーサーm/z: 201.09189

Splash: splash10-00di-0900000000-fed1eb90d16017af75a9

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

m/z	Int.	NL	Rel.Int.
173.08	1210	28	1000
183.13	250	18	206
159.10	234	42	193
156.94	100	44	82
185.95	73	15	59
131.83	62	69	51