ピーク情報

ごまいり（黒ごま）

pos

Peak #1477 MN MID: SE113_S050182_M90

m/z: 265.11156, RT: 30.63, 強度: 1877, ログ強度: -0.07, 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: (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	-0.767	Thiamine	HMDB: [1]HMDB0000235, [1f]HMDB0302835, [1f]HMDB0303167 KEGG: [1]C00378 KNApSAcK: [1]C00000775
C11H20O5S	264.10314	4.297	2-(6'-Methylthio)hexylmalic acid	HMDB: [-2]HMDB0304053 KEGG: C17226 KNApSAcK: C00007653
C11H20O5S	264.10314	4.297	3-(6'-Methylthio)hexylmalic acid	HMDB: [-2]HMDB0304111 KEGG: C17227

Level: 2, プリカーサーm/z: 265.11115

Splash: splash10-00di-0900000000-3285d6449605a9be3dcb

m/z	Int.	NL	Rel.Int.
122.06	3289	143	1000
144.00	1385	121	421
140.01	219	125	66
247.08	175	18	53

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: 122.06180

Splash: splash10-001i-9000000000-76c0ce4a9eb6b1dba65e

m/z	Int.	NL	Rel.Int.
80.83	120	41	1000
79.75	11	42	87

Level: 3, プリカーサーm/z: 143.99536

Splash: splash10-004i-0900000000-9331e3969f39c0d70391