ピーク情報

リーフレタスグリーン

pos

Peak #834 MN MID: SE198_S12_M90

m/z: 504.19240, RT: 13.13, 強度: 52274, ログ強度: 1.22, アダクト: [M+CH3OH-H2O+H]+, [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 17

DB検索結果: (2S)-3-[3-[(4-Carbamimidoylbenzoyl)amino]propanoylamino]-2-[(4-ethylphenyl)sulfonylamino]propanoic acid

DBごとのヒット数: ALL 1 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: -

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 0

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
C22H27O6N5S	489.16820	2.603	(2S)-3-[3-[(4-Carbamimidoylbenzoyl)amino]propanoylamino]-2-[(4-ethylphenyl)sulfonylamino]propanoic acid	HMDB: HMDB0258340

Level: 2, プリカーサーm/z: 504.19202

Splash: splash10-00dr-0339200000-74f0c6066d9206a03bfb

m/z	Int.	NL	Rel.Int.
324.98	1382	179	1000
161.99	562	342	406
486.72	402	17	291
289.02	292	215	211
271.08	113	233	81
288.36	106	216	76

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS3	N原子数	S原子数	共有数
	13.06	525.12202	20.9296	1.12	[M-H2O+K]+, [M+K]+	(33 names) Galactotriose; ; 1-Kestose; Panose; 4-alpha-Isomaltosylglucose; Maltotriose; alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose; 3-beta-Gentiobiosylglucose; O-alpha-D-Mannopyranosyl-(1-4)-O...	ALL 32 KG 15 KN 3 HM 14	MS2		N 0	S 0	12
	13.51	522.20292	18.0105	2.26	[M+NH4]+, [M+CH3OH+H]+	(32 names) Galactotriose; ; 1-Kestose; Panose; 4-alpha-Isomaltosylglucose; Maltotriose; alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose; 3-beta-Gentiobiosylglucose; O-alpha-D-Mannopyranosyl-(1-4)-O...	ALL 31 KG 15 KN 3 HM 13	MS2 MS3	0.091	N 0	S 0	7
834	13.13	504.19240	0.0000	1.22	[M+CH3OH-H2O+H]+, [M+NH4]+	(2S)-3-[3-[(4-Carbamimidoylbenzoyl)amino]propanoylamino]-2-[(4-ethylphenyl)sulfonylamino]propanoic acid	ALL 1 HM 1	MS2		N 0	S 0	17
	13.05	487.16570	-17.0267	1.29	[M-H2O+H]+, [M+H]+	(32 names) Galactotriose; ; 1-Kestose; Panose; 4-alpha-Isomaltosylglucose; Maltotriose; alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose; 3-beta-Gentiobiosylglucose; O-alpha-D-Mannopyranosyl-(1-4)-O...	ALL 31 KG 15 KN 3 HM 13			N 0	S 0	9