ピーク情報

タバコBY-2細胞　7日目

pos

Peak #1233 MN MID: SE204_S07_M90

m/z: 501.27032, RT: 29.66, 強度: 12473, ログ強度: 0.67, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: Adavosertib

DBごとのヒット数: ALL 1 HM 1

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
C27H32O2N8	500.26482	-3.546	Adavosertib	HMDB: HMDB0254782

MSnスペクトル情報

Level: 2, プリカーサーm/z: 501.26993

Splash: splash10-0w29-0090700000-03830b44e2aedb00be77

m/z	Int.	NL	Rel.Int.
251.04	2061	250	1000
463.06	775	38	376
463.79	430	37	208
436.05	244	65	118
436.81	173	64	84
449.26	151	52	73
234.14	149	267	72

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe)-C(1(O-Galloyl))	Flavan 3-ol	Gallocatechin 5,3',5'-trimethyl ether 3-O-gallate
[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artonol C
[Dihydroflavonol]-A(2OH, 2(p-Hydroxybenzyl) )-B(1OH)	Dihydroflavonol	Gericudranin D

Level: 3, プリカーサーm/z: 251.04382

Splash: splash10-001i-1290000000-ec9cc3680d54602482fc

m/z	Int.	NL	Rel.Int.
234.03	1044	17	1000
88.94	208	162	199
192.09	98	59	94
113.96	76	137	72
162.99	72	88	68

Level: 3, プリカーサーm/z: 463.05829

Splash: splash10-0002-0004900000-4bfdc39b0493f9251c93

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(4OMe)-B(4OMe)	Flavone	Agehoustin A
[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavone	Isoscoparin
[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavone	6-C-beta-D-Glucopyranosyldiosmetin
[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH)	Flavone	Swertiajaponin
[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavone	Scoparin
[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavone	8-C-beta-D-Glucopyranosyldiosmetin
[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH)	Flavone	Parkinsonin A
[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH)	Flavone	Isoswertiajaponin
[Flavonol]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Flavonol	Keyakinin
[Isoflavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Isoflavone	Dalpanitin
[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(2OH, 3(C-Prenyl))-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone	Helilupolone
[Flavonol]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(2OH)	Flavonol	6-C-Rhamnopyranosylrhamnetin
[Flavonol (3-OMe)]-A(4OMe)-B(3OMe)	Flavonol	Exoticin
[Flavonol (3-OMe)]-A(4OMe)-B(3OMe)	Flavonol	Purpurascenin
[Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl))	Flavan	Kazinol E
[Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl))	Flavan	Kazinol Q
[CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin (3',4'-Dihydroxy)]-A(1OH)-B(1OH, 2OMe)	CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin	Malvidin 4-vinylcatechol
[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Euchrenone b3

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.
449.18	262	14	1000
398.69	137	64	523
440.56	51	22	192
384.76	45	78	170
454.23	43	9	165
751.10	24	-288	92
264.92	22	198	82
455.29	18	8	68
231.06	17	232	64
662.01	16	-199	61
661.30	16	-198	61
393.24	14	70	53