ピーク情報

タバコBY-2細胞　7日目

pos

Peak #1780 MN MID: SE204_S07_M90

m/z: 454.29280, RT: 85.20, 強度: 22641, ログ強度: 0.93, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 13

DB検索結果: (5 names) 1-(2-methoxy-6Z-pentadecenyl)-sn-glycero-3-phosphoethanolamine;1-(2-methoxy-13-methyl-6Z-tetradecenyl)-sn-glycero-3-phosphoethanolamine;LysoPE(16:0/0:0);LysoPE(0:0/16:0);1-tridecanoyl-sn-glycero-3-pho...

DBごとのヒット数: ALL 5 LM 5

FlavonoidSearch最大スコア MS2: -, MS3: 0.083

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
C21H44O7NP	453.28554	-0.030	LysoPE(16:0/0:0)	HMDB: HMDB0011503, HMDB0256030 LipidMAPS: LMGP02050002
C21H44O7NP	453.28554	-0.030	1-(2-methoxy-6Z-pentadecenyl)-sn-glycero-3-phosphoethanolamine	LipidMAPS: LMGP02060012
C21H44O7NP	453.28554	-0.030	1-(2-methoxy-13-methyl-6Z-tetradecenyl)-sn-glycero-3-phosphoethanolamine	LipidMAPS: LMGP02060010
C21H44O7NP	453.28554	-0.030	LysoPE(0:0/16:0)	HMDB: HMDB0011473 LipidMAPS: LMGP02050036
C21H44O7NP	453.28554	-0.030	1-tridecanoyl-sn-glycero-3-phosphocholine	LipidMAPS: LMGP01050001

MSnスペクトル情報

Level: 2, プリカーサーm/z: 454.29260

Splash: splash10-01p9-0006900000-9ba636eada8e5ced4987

m/z	Int.	NL	Rel.Int.
436.14	3940	18	1000
313.22	2705	141	686

Level: 3, プリカーサーm/z: 436.08481

Splash: splash10-0006-0009000000-ce1a902109dfaae8f2bf

m/z	Int.	NL	Rel.Int.
393.12	183	43	1000
282.24	14	154	78
418.24	14	18	75
338.44	11	98	59

Level: 3, プリカーサーm/z: 313.25558

Splash: splash10-0abi-2940000000-bb37a26473f9a9a7dfd0

m/z	Int.	NL	Rel.Int.
257.33	36	56	1000
108.98	35	204	980
136.99	33	176	933
122.93	27	190	765
94.99	27	218	752
239.02	23	74	629
121.04	10	192	289
111.08	9	202	240
221.08	8	92	233
138.80	7	174	198
219.14	6	94	178
165.20	5	148	150
90.78	4	222	123
98.88	4	214	113
92.95	3	220	95
163.09	3	150	77
173.05	3	140	73
116.89	3	196	70
96.76	2	216	58

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.083	[Isoflavone]-A(1OMe)-B(2OMe)	Isoflavone	Cabreuvin
0.043	[Coumestan]-A(1OH)-B(2OMe)	Coumestan	3-Hydroxy-8,9-dimethoxycoumestan
0.043	[Coumestan]-A(1OH)-B(2OMe)	Coumestan	Wairol
0.000	[Flavone]-A(1OMe)-B(2OMe)	Flavone	7,3',4'-Trimethoxyflavone
0.000	[Flavone]-A(1OMe)-B(2OMe)	Flavone	7,2',4'-Trimethoxyflavone
0.000	[Flavone]-A(2OMe)-B(1OMe)	Flavone	5,6,2'-Trimethoxyflavone
0.000	[Flavone]-A(1OMe)-B(2OMe)	Flavone	6,2',3'-Trimethoxyflavone
0.000	[Flavone]-A(2OMe)-B(1OMe)	Flavone	5,6,3'-Trimethoxyflavone
0.000	[Flavone]-A(none)-B(3OMe)	Flavone	3',4',5'-Trimethoxyflavone
0.000	[Flavone]-A(2OMe)-B(1OMe)	Flavone	5,7,2'-Trimethoxyflavone
0.000	[Flavone]-A(2OMe)-B(1OMe)	Flavone	Apigenin 5,7,4'-trimethyl ether
0.000	[Flavone]-A(3OMe)-B(none)	Flavone	Baicalein 5,6,7-trimethyl ether
0.000	[Flavone]-A(3OMe)-B(none)	Flavone	Norwogonin 5,7,8-trimethyl ether
0.000	[Chalcone]-A(none)-B(2OH, 1OMe, 1Formyl, 1Methyl)	Chalcone	3-Formyl-4,6-dihydroxy-2-methoxy-5-methylchalcone
0.000	[Chalcone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Chalcone	3,4-Methylenedioxy-2',4'-dimethoxychalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Formyl, 1Methyl)-B(none)	2'-Hydroxychalcone	Leridal chalcone
0.000	[Chalcone]-A(2OMe, 1([@@]-Methylenedioxy))-B(none)	Chalcone	Helilandin A
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Galiposin
0.000	[UBR-type derivative / 2',6'-Dioxo-3'-enyl-0-hydroxy-type Chalcone]-A(1OMe, 3Methyl)-B(none)	UBR-type derivative / 2',6'-Dioxo-3'-enyl-0-hydroxy-type Chalcone	Desmosdumotin C
0.000	[Flavanone]-A(1OH, 1OMe, 1Formyl, 1Methyl)-B(none)	Flavanone	Leridal
0.000	[Flavanone]-A(1OH, 1OMe, 1Formyl, 1Methyl)-B(none)	Flavanone	Desmosflavanone II
0.000	[Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Flavone	Prosogerin A
0.000	[Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Flavone	6-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
0.000	[Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH)	Flavone	5,2'-Dihydroxy-7-methoxy- 6,8-dimethylflavone
0.000	[Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OMe)	Flavone	8-Demethyleucalyptin
0.000	[Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH)	Flavone	Sideroxylin
0.000	[Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Flavone	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH)-B(1([@@]-Methylenedioxy))	Flavonol	3-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(none)	Flavonol	Galangin 3,5,7-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(none)	Flavonol	5,7-Dihydroxy-3-methoxy-6,8-dimethylflavone
0.000	[Flavonol]-A(1OH, 1OMe, 2Methyl)-B(none)	Flavonol	3,5-Dihydroxy-7-methoxy-6,8-dimethylflavone
0.000	[Isoflavone]-A(1OH)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Cuneatin
0.000	[Isoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Fujikinetin
0.000	[Isoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Maximaisoflavone E
0.000	[Isoflavone]-A(1OH, 1OMe, 1Methyl)-B(1OMe)	Isoflavone	7-Hydroxy-5,4'-dimethoxy-8-methylisoflavone
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH)	Isoflavone	Betavulgarin
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OMe)	Isoflavone	Irisone A
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH)	Isoflavone	Irisolone
0.000	[UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene]-A(1OMe)-B(1OMe)	UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene	4-Deoxybryaquinone
0.000	[Pterocarpene]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpene	3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene
0.000	[Pterocarpene]-A(1OMe)-B(2OMe)	Pterocarpene	Bryacarpene 5
0.000	[6-Hydroxydehydrorotenone]-A(2OH, 1Methyl)-B(none)	6-Hydroxydehydrorotenone	Boeravinone B
0.000	[4-phenylcoumarin]-A(2OMe)-B(1OMe)	4-phenylcoumarin	5,7,4'-Trimethoxy-4-phenylcoumarin
0.000	[CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OMe)-B(1OH, 1OMe)	CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin	5'-Hydroxy-7,4'-dimethoxy-5,2'-oxido-4-phenylcoumarin