ピーク情報

＜調味料類＞（食酢類）果実酢ぶどう酢

pos

Peak #1264 MN MID: SE118_S170171_M90

m/z: 173.12839, RT: 14.58, 強度: 2984, ログ強度: 0.15, アダクト: [M+ACN+H]+, 共有数（同様のピークを含むサンプル数）: 100

DB検索結果: (15 names) 3-Aminocaproic acid;Alanine betaine;N-(2-Hydroxyethyl)-morpholine;Isoleucine;1-Hydroxy-5,5-dimethylpyrrolidin-2-ol;N-methylvaline;Leucine;6-Deoxyfagomine;L-Valine, methyl ester;1-Nitrohexane;beta-Alan...

DBごとのヒット数: ALL 15 KG 7 KN 1 HM 7

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
C6H13O2N	131.09463	-0.521	3-Aminocaproic acid	HMDB: HMDB0029168
C6H13O2N	131.09463	-0.521	Alanine betaine	HMDB: HMDB0240479
C6H13O2N	131.09463	-0.521	N-(2-Hydroxyethyl)-morpholine	HMDB: HMDB0060650
C6H13O2N	131.09463	-0.521	L-isoleucine	HMDB: HMDB0000172, HMDB0000557, HMDB0033923 KEGG: C16434, C00407, C06418, C21092, C21096 KNApSAcK: C00001374 LipidMAPS: LMFA01100047
C6H13O2N	131.09463	-0.521	1-Hydroxy-5,5-dimethylpyrrolidin-2-ol	HMDB: HMDB0257628
C6H13O2N	131.09463	-0.521	N-methylvaline	HMDB: HMDB0061716
C6H13O2N	131.09463	-0.521	L-Leucine	HMDB: HMDB0000687, HMDB0013773 KEGG: C16439, C00123, C01570 KNApSAcK: C00001377 LipidMAPS: LMFA01100048
C6H13O2N	131.09463	-0.521	L-Valine, methyl ester	HMDB: HMDB0253926
C6H13O2N	131.09463	-0.521	6-Deoxy-fagomine	HMDB: HMDB0036382 KNApSAcK: C00036613
C6H13O2N	131.09463	-0.521	1-Nitrohexane	HMDB: [1]HMDB0013812
C6H13O2N	131.09463	-0.521	beta-Alaninebetaine	HMDB: HMDB0304538 KEGG: C08263 KNApSAcK: C00001334
C6H13O2N	131.09463	-0.521	(3R)-beta-Leucine	HMDB: HMDB0003640, HMDB0245808 KEGG: C02486
C6H13O2N	131.09463	-0.521	6-Aminohexanoate	HMDB: HMDB0001901 KEGG: C02378 LipidMAPS: LMFA01100035
C6H13O2N	131.09463	-0.521	N,N-Diethylglycine	KEGG: C16647
C6H13O2N	131.09463	-0.521	L-Norleucine	HMDB: HMDB0001645, HMDB0251526 KEGG: C01933 KNApSAcK: C00053319 LipidMAPS: LMFA01100042

MSnスペクトル情報

Level: 2, プリカーサーm/z: 173.12837

Splash: splash10-0a4i-0900000000-89d2f7502f0232e8e822

m/z	Int.	NL	Rel.Int.
155.02	1090	18	1000
126.99	212	46	194
131.98	83	41	75
145.08	66	28	60
116.05	57	57	52
143.02	56	30	51
152.46	56	21	51

Level: 3, プリカーサーm/z: 155.05489

Splash: splash10-004i-1900000000-ea2cb6a00dfae3fcad70

m/z	Int.	NL	Rel.Int.
127.09	385	28	1000
98.98	45	56	116

関連ピーク情報

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	FS2	FS3	共有数
1264	14.58	173.12839	0.0000	0.15	[M+ACN+H]+	(15 names) 3-Aminocaproic acid; Alanine betaine; N-(2-Hydroxyethyl)-morpholine; Isoleucine; 1-Hydroxy-5,5-dimethylpyrrolidin-2-ol; N-methylvaline; Leucine; 6-Deoxyfagomine; L-Valine, methyl ester; 1-Nitrohexane; beta-Alan...	ALL 15 KG 7 KN 1 HM 7	MS2 MS3			100
	14.60	132.10137	-41.0270	-0.04	[M+H]+	(15 names) 3-Aminocaproic acid; Alanine betaine; N-(2-Hydroxyethyl)-morpholine; Isoleucine; 1-Hydroxy-5,5-dimethylpyrrolidin-2-ol; N-methylvaline; Leucine; 6-Deoxyfagomine; L-Valine, methyl ester; 1-Nitrohexane; beta-Alan...	ALL 15 KG 7 KN 1 HM 7	MS2 MS3			116

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

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