ピーク情報

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pos

Peak #4234 MN MID: SE199_S21_M90

m/z: 636.38879, RT: 71.25, 強度: 3674, ログ強度: 0.17, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (2 names) 1-hexadecanoyl-2-(4-hydroxy-7-oxo-5E-heptenoyl)-sn-glycero-3-phosphocholine;1-(9Z-octadecenoyl)-2-glutaryl-sn-glycero-3-phosphocholine

DBごとのヒット数: ALL 2 LM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.043

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
C31H58O10NP	635.37984	2.648	1-hexadecanoyl-2-(4-hydroxy-7-oxo-5E-heptenoyl)-sn-glycero-3-phosphocholine	LipidMAPS: LMGP20010012
C31H58O10NP	635.37984	2.648	1-(9Z-octadecenoyl)-2-glutaryl-sn-glycero-3-phosphocholine	LipidMAPS: LMGP20010027

MSnスペクトル情報

Level: 2, プリカーサーm/z: 636.38898

Splash: splash10-0a4i-0001791000-2af6ee051dd64c03f01e

m/z	Int.	NL	Rel.Int.
507.25	1016	129	1000
471.34	560	165	550
453.35	300	183	294
561.43	185	75	181
618.33	167	18	164
308.12	148	328	145
369.24	73	267	71
441.39	66	195	65
489.27	63	147	61
490.19	53	146	51

Level: 3, プリカーサーm/z: 471.42029

Splash: splash10-0udi-0001900000-8a7e607c6390cef88c58

m/z	Int.	NL	Rel.Int.
453.41	294	18	1000
368.48	54	103	184
441.37	51	30	174

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1([2,3:@@]-(5-Oxo-4-(1-Hydroxy-3-phenylallylidene)-4,5-dihydrofurano)))-B(none)	2'-Hydroxychalcone	Didymocalyxin B

Level: 3, プリカーサーm/z: 507.23761

Splash: splash10-00di-0100900000-8113673b49b30ade5c2f

m/z	Int.	NL	Rel.Int.
471.41	267	36	1000
453.35	128	54	481
179.02	72	328	269
489.39	55	18	207
441.37	44	66	163
490.20	26	17	98
293.33	24	214	90
161.86	23	345	87
429.56	17	78	63

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.043	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Flavanone	Amoritin
0.043	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Flavanone	Isoamoritin
0.032	[Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 2(C-Prenyl))	Flavonol	Broussoflavonol G
0.032	[Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 2(C-Prenyl))	Flavonol	Petalostemumol G
0.000	[Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-(hydroxyisopropyl)-4-(5-methoxycarbonyl-2-hydroxyPhenyl)-4,5-dihydrofurano)))-B(none)	Dihydrochalcone	Piperaduncin B
0.000	[Flavanone]-A(1OH, 1Methyl, 1([2,3:@@]-(8a-Hydroxy-4-Isopropyl-6,6,8,8-tetramethyl-5,7-dioxy-4,4a,8,8a-tetrahydrochromeno)))-B(none)	Flavanone	Lumaflavanone C
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavanone	Flemichin E
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone H
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone I
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH)	3-substituted Flavone	Dorsilurin D
0.000	[Flavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavone	Artelastofuran
0.000	[Flavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(2OH)	Flavone	Dorsilurin B
0.000	[CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(2OH, 2(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone	Artelastocarpin
0.000	[CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone]-A(none)-B(1Geranyl)	CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone	Sanggenol G
0.000	[CCS-type derivative / [3,2']-Epoxy-2-farnesylflavanone]-A(2OH)-B(1OH)	CCS-type derivative / [3,2']-Epoxy-2-farnesylflavanone	Sanggenol H
0.000	[CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone]-A(1Geranyl)-B(none)	CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone	Sanggenol I
0.000	[CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone	Sorocein F
0.000	[CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone]-A(2OH, 2(C-Prenyl))-B(1OH)	CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone	Sorocein G
0.000	[Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl))	Flavonol	Broussoflavonol C
0.000	[Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	Flavonol	Broussoflavonol E