ピーク情報

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pos

Peak #9586 MN MID: SE205_S02_M90

m/z: 504.30904, RT: 85.55, 強度: 52401, ログ強度: 1.20, 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: (8 names) LysoPE(0:0/20:3(8Z,11Z,14Z));LysoPE(0:0/20:3(11Z,14Z,17Z));LysoPE(20:3(11Z,14Z,17Z)/0:0);LysoPE(20:3(5Z,8Z,11Z)/0:0);LysoPE(0:0/20:3(5Z,8Z,11Z));LysoPE(20:3(8Z,11Z,14Z)/0:0);Phomopsichalasin;Sulpinine...

DBごとのヒット数: ALL 8 KN 2 LM 6

FlavonoidSearch最大スコア MS2: -, MS3: 0.021

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
C25H46O7NP	503.30119	1.146	LysoPE(0:0/20:3(8Z,11Z,14Z))	HMDB: HMDB0011486 LipidMAPS: LMGP02050050
C25H46O7NP	503.30119	1.146	LysoPE(0:0/20:3(11Z,14Z,17Z))	HMDB: HMDB0011484 LipidMAPS: LMGP02050048
C25H46O7NP	503.30119	1.146	LysoPE(20:3(11Z,14Z,17Z)/0:0)	HMDB: HMDB0011514 LipidMAPS: LMGP02050065
C25H46O7NP	503.30119	1.146	LysoPE(20:3(5Z,8Z,11Z)/0:0)	HMDB: HMDB0011515 LipidMAPS: LMGP02050066
C25H46O7NP	503.30119	1.146	LysoPE(0:0/20:3(5Z,8Z,11Z))	HMDB: HMDB0011485 LipidMAPS: LMGP02050049
C25H46O7NP	503.30119	1.146	LysoPE(20:3(8Z,11Z,14Z)/0:0)	HMDB: HMDB0011516 LipidMAPS: LMGP02050022
C32H41O4N	503.30356	-3.559	Phomopsichalasin	KNApSAcK: C00000492
C32H41O4N	503.30356	-3.559	Sulpinine A	KNApSAcK: C00023590

MSnスペクトル情報

Level: 2, プリカーサーm/z: 504.30859

Splash: splash10-01p9-0015900000-beb6315198161a6246eb

m/z	Int.	NL	Rel.Int.
486.34	6198	18	1000
363.33	4110	141	663
289.34	472	215	76
271.25	355	233	57

Level: 3, プリカーサーm/z: 363.33398

Splash: splash10-00e9-0940000000-e677618f7db6aa6cf0e1

m/z	Int.	NL	Rel.Int.
271.34	472	92	1000
131.06	202	232	427
173.09	195	190	412
134.97	190	228	402
121.01	166	242	351
133.03	165	230	348
158.97	162	204	343
205.19	148	158	314
187.21	127	176	268
215.11	102	148	217
189.19	102	174	216
145.05	77	218	162
163.25	66	200	139
129.04	60	234	127
243.25	60	120	126
203.21	53	160	112
118.97	53	244	111
147.27	52	216	110
175.19	52	188	109
201.04	51	162	107

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavanone	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
[Isoflavan]-A(1OH, 2OMe)-B(1OH, 2OMe)	Isoflavan	Machaerol B
[Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	3,5,7,3',5'-Pentahydroxy-6,4'-dimethoxyflavone
[Flavonol]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Hibiscetin 8,3'-dimethyl ether
[Flavonol]-A(2OH, 2OMe)-B(2OH)	Flavonol	3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone
[Flavanone]-A(2OH, 1(2-hydroxybenzyl))-B(none)	Flavanone	Isochamanetin
[Flavanone]-A(2OH, 1(2-hydroxybenzyl))-B(none)	Flavanone	Chamanetin
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH)	Flavonol	5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH)	Flavonol	5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OH)	Flavonol	5,8,3',4',5'-Pentahydroxy-3,7-dimethoxyflavone
[Flavonol (3-OMe)]-A(3OH, 1OMe)-B(2OH)	Flavonol	5,7,8,3',4'-Pentahydroxy-3,6-dimethoxyflavone
[Flavan 3-ol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl))	Flavan 3-ol	3,7,8,3',4'-Pentahydroxy-5-methoxyflavan 3-O-acetate

Level: 3, プリカーサーm/z: 486.33701

Splash: splash10-007c-0092200000-51a6694bfe11f3e46749

m/z	Int.	NL	Rel.Int.
289.30	458	197	1000
443.32	266	43	579
271.30	265	215	578
332.32	144	154	314
154.98	34	331	74
220.45	34	266	73
333.05	33	153	72
204.93	32	281	69
148.93	30	337	66
179.19	27	307	58
201.11	24	285	51
261.58	24	225	51
316.96	23	169	50

ピーク情報

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MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果