ピーク情報

タバコBY-2細胞　培地　0日目

pos

Peak #584 MN MID: SE204_S10_M90

m/z: 265.11174, RT: 11.19, 強度: 24079, ログ強度: 0.86, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 7

DB検索結果: (3 names) Thiamine;2-(6'-methylthio)hexylmalate;3-(6'-methylthio)hexylmalate

DBごとのヒット数: ALL 3 KG 3

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
C12H16ON4S	264.10448	-0.084	Thiamine	HMDB: [1]HMDB0000235, [1f]HMDB0302835, [1f]HMDB0303167 KEGG: [1]C00378 KNApSAcK: [1]C00000775
C11H20O5S	264.10314	4.979	2-(6'-Methylthio)hexylmalic acid	HMDB: [-2]HMDB0304053 KEGG: C17226 KNApSAcK: C00007653
C11H20O5S	264.10314	4.979	3-(6'-Methylthio)hexylmalic acid	HMDB: [-2]HMDB0304111 KEGG: C17227

Level: 2, プリカーサーm/z: 265.11166

Splash: splash10-00dl-0900000000-42662d99935a8fc5427b

m/z	Int.	NL	Rel.Int.
121.89	208667	143	1000
143.89	108565	121	520

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	2'-Hydroxychalcone	2'-Hydroxyfurano[2'',3'':4',3']chalcone

Level: 3, プリカーサーm/z: 121.96301

Splash: splash10-001i-9100000000-3c39bfa668016426f1e6

m/z	Int.	NL	Rel.Int.
80.89	8779	41	1000
121.98	1366	-0	155

Level: 3, プリカーサーm/z: 143.87103

Splash: splash10-004i-0900000000-a0891b053465bc07664f

m/z	Int.	NL	Rel.Int.
125.87	1217	18	1000
112.96	261	31	214
113.91	162	30	133