ピーク情報

ししとう果実生

pos

Peak #632 MN MID: SE115_S060931_M90

m/z: 291.15493, RT: 12.09, 強度: 127870, ログ強度: 1.52, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 6

DB検索結果: (18 names) 2-Amino-5-oxohexanoate;Methyl aminolevulinate;(S)-5-Amino-3-oxohexanoate;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;But-2-en-2-yl 2-aminoethaneperoxoate;cis-5-Hydroxypipecolic acid;N-Propion...

DBごとのヒット数: ALL 17 KG 5 KN 4 HM 8

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
C6H11O3N	145.07389	-0.461	2-Amino-5-oxohexanoate	KEGG: C05825
C6H11O3N	145.07389	-0.461	Methyl aminolevulinate	HMDB: HMDB0015127
C6H11O3N	145.07389	-0.461	L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid	HMDB: HMDB0029425
C6H11O3N	145.07389	-0.461	(S)-5-Amino-3-oxohexanoic acid	HMDB: HMDB0012131 KEGG: C03656 LipidMAPS: LMFA01060173
C6H11O3N	145.07389	-0.461	But-2-en-2-yl 2-aminoethaneperoxoate	HMDB: HMDB0257836
C6H11O3N	145.07389	-0.461	N-Propionylalanine	HMDB: HMDB0094698
C6H11O3N	145.07389	-0.461	cis-5-Hydroxypipecolic acid	HMDB: HMDB0029426 KNApSAcK: C00037000, C00037104
C6H11O3N	145.07389	-0.461	N-(2-Carboxymethyl)-morpholine	HMDB: HMDB0061156
C6H11O3N	145.07389	-0.461	4-Hydroxypipecolic acid	KNApSAcK: C00052717
C6H11O3N	145.07389	-0.461	Amino 6-oxohexanoate	HMDB: HMDB0258069
C6H11O3N	145.07389	-0.461	6-Amino-2-oxohexanoate	HMDB: HMDB0012151 KEGG: C03239 KNApSAcK: C00051880
C6H11O3N	145.07389	-0.461	L-2-Aminoadipate 6-semialdehyde	HMDB: HMDB0001263, HMDB0303320 KEGG: C04076 KNApSAcK: C00051877, C00052004
C6H11O3N	145.07389	-0.461	4-Acetamidobutanoate	HMDB: HMDB0003681 KEGG: C02946 KNApSAcK: C00053526
C6H11O3N	145.07389	-0.461	trans-4-Hydroxy-N-methyl-L-proline	KNApSAcK: C00034907
C6H11O3N	145.07389	-0.461	Isobutyrylglycine	HMDB: HMDB0000730 KNApSAcK: C00052325
C6H11O3N	145.07389	-0.461	methyl 2-amino-4-oxopentanoate	HMDB: HMDB0254565
C6H11O3N	145.07389	-0.461	N-Butyrylglycine	HMDB: HMDB0000808

MSnスペクトル情報

Level: 2, プリカーサーm/z: 291.15448

Splash: splash10-0002-0900000000-a7e1caeb4213b175844b

m/z	Int.	NL	Rel.Int.
146.03	2882	145	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(3OH)-B(2OH)	Dihydrochalcone	3,4,2',4',6'-Pentahydroxydihydrochalcone
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Mesquitol
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	3,5,7,3',5'-Pentahydroxyflavan
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Catechin
[Flavan 3-ol]-A(1OH)-B(3OH)	Flavan 3-ol	Robinetinidol
[Dihydrochalcone alpha-ol]-A(3OH)-B(1OH)	Dihydrochalcone alpha-ol	Nubigenol
[Dihydrochalcone alpha-ol]-A(2OH)-B(2OH)	Dihydrochalcone alpha-ol	3,4,2',4',alpha-Pentahydroxydihydrochalcone
[Flavan 4-ol]-A(2OH)-B(2OH)	Flavan 4-ol	Luteoforol
[Flavan 3,4-diol]-A(1OH)-B(2OH)	Flavan 3,4-diol	3,4,7,3',4'-Pentahydroxyflavan
[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,7,8,4'-Pentahydroxyflavan
[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,5,7,4'-Pentahydroxyflavan

Level: 3, プリカーサーm/z: 146.03085

Splash: splash10-0002-9000000000-2341d61dcae69bffcba9

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