ピーク情報

＜牛乳及び乳製品＞（チーズ類）ナチュラルチーズブルー

neg

Peak #1574 MN MID: SE120_S130391_M91

m/z: 218.10351, RT: 28.72, 強度: 8696, ログ強度: 0.54, アダクト: [M+ACN+HCOOH-H]-, 共有数（同様のピークを含むサンプル数）: 150

DB検索結果: (27 names) Butoxyacetic acid;Ethyl 3-hydroxybutyrate;Paraldehyde;2-Hydroxycaproic acid;2-Ethoxyethyl acetate;6-Hydroxyhexanoic acid;(+/-)-1-Acetoxy-1-ethoxyethane;D-Leucic acid;Ophiocerin A;(-)-Ophiocerin A;Solk...

DBごとのヒット数: ALL 26 KG 4 KN 5 HM 12 LM 5

FlavonoidSearch最大スコア MS2: -, MS3: -

DB検索結果

ppm

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
C6H12O3	132.07864	0.878	Butoxyacetic acid	HMDB: HMDB0041844
C6H12O3	132.07864	0.878	Ethyl (R)-3-hydroxybutanoate	HMDB: HMDB0040409 KEGG: C03499 KNApSAcK: C00050444
C6H12O3	132.07864	0.878	Paraldehyde	HMDB: HMDB0032456 KEGG: C07834
C6H12O3	132.07864	0.878	2-Hydroxycaproic acid	HMDB: HMDB0001624 LipidMAPS: LMFA01050011
C6H12O3	132.07864	0.878	2-Ethoxyethyl acetate	HMDB: HMDB0245111
C6H12O3	132.07864	0.878	6-Hydroxyhexanoic acid	HMDB: HMDB0012843 KEGG: C06103 LipidMAPS: LMFA01050015
C6H12O3	132.07864	0.878	(+/-)-1-Acetoxy-1-ethoxyethane	HMDB: HMDB0032158
C6H12O3	132.07864	0.878	(R)-2-Hydroxyisocaproate	HMDB: HMDB0000624, HMDB0000665, HMDB0000746 KEGG: C03264 LipidMAPS: LMFA01050381, LMFA01050402, LMFA01050408
C6H12O3	132.07864	0.878	Ophiocerin A	KNApSAcK: C00042802, C00042803, C00042804
C6H12O3	132.07864	0.878	Solketal	HMDB: HMDB0258367
C6H12O3	132.07864	0.878	3-Hydroxybutyl acetate	HMDB: HMDB0245894
C6H12O3	132.07864	0.878	methoxypyrimidinyl piperazine	HMDB: HMDB0254555
C6H12O3	132.07864	0.878	Ethyl 4-hydroxybutyrate	HMDB: HMDB0303848 KNApSAcK: C00050445
C6H12O3	132.07864	0.878	Methyl 3-hydroxyisovalerate	HMDB: HMDB0303162
C6H12O3	132.07864	0.878	5-Hydroxyhexanoic acid	HMDB: HMDB0000409, HMDB0000525 KNApSAcK: C00052163 LipidMAPS: LMFA01050014, LMFA01050376
C6H12O3	132.07864	0.878	Ethyl 2-hydroxybutyrate	KNApSAcK: C00050443
C6H12O3	132.07864	0.878	Threo-3-Hydroxy-2-methylbutyric acid	HMDB: HMDB0059770
C6H12O3	132.07864	0.878	2-Ethyl-2-Hydroxybutyric acid	HMDB: HMDB0001975 LipidMAPS: LMFA01050387
C6H12O3	132.07864	0.878	2-Hydroxy-3-methylpentanoic acid	HMDB: HMDB0000317 KNApSAcK: C00052119 LipidMAPS: LMFA01020401, LMFA01050380, LMFA01050441
C6H12O3	132.07864	0.878	1-Methoxy-2-propyl acetate	HMDB: HMDB0243916
C6H12O3	132.07864	0.878	2-Methyl-3-hydroxyvaleric acid	HMDB: HMDB0029166 LipidMAPS: LMFA01050443
C6H12O3	132.07864	0.878	Diethylene glycol monovinyl ether	HMDB: HMDB0251247
C6H12O3	132.07864	0.878	1,4-Dihydroxy-3,3-dimethylbutan-2-one	HMDB: HMDB0257729
C6H12O3	132.07864	0.878	4-hydroxy-hexanoic acid	LipidMAPS: LMFA01050013
C6H12O3	132.07864	0.878	3-Hydroxyhexanoic acid	HMDB: HMDB0010718, HMDB0061652 LipidMAPS: LMFA01050012, LMFA01050377, LMFA01050432
C6H12O3	132.07864	0.878	4,4-Dimethoxy-2-butanone	HMDB: HMDB0033851

MSnスペクトル情報

Level: 2, プリカーサーm/z: 218.10349

Splash: splash10-000i-9100000000-9d58d5e71ccb5b9051c2

m/z	Int.	NL	Rel.Int.
87.85	7687	130	1000
145.97	1032	72	134

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	共有数
	28.78	264.10905	46.0055	-0.54	[M+ACN+2(HCOOH)-H]-	(27 names) Butoxyacetic acid; Ethyl 3-hydroxybutyrate; Paraldehyde; 2-Hydroxycaproic acid; 2-Ethoxyethyl acetate; 6-Hydroxyhexanoic acid; (+/-)-1-Acetoxy-1-ethoxyethane; D-Leucic acid; Ophiocerin A; (-)-Ophiocerin A; Solk...	ALL 26 KG 4 KN 5 HM 12 LM 5		13
	29.05	259.12999	41.0265	1.01	[M+Na-2H]-, [M+2(ACN)+HCOOH-H]-			MS2	15
	28.89	258.14602	40.0425	0.27	[M+2(ACN)+HCOOH+NH3-H2O-H]-	(27 names) Butoxyacetic acid; Ethyl 3-hydroxybutyrate; Paraldehyde; 2-Hydroxycaproic acid; 2-Ethoxyethyl acetate; 6-Hydroxyhexanoic acid; (+/-)-1-Acetoxy-1-ethoxyethane; D-Leucic acid; Ophiocerin A; (-)-Ophiocerin A; Solk...	ALL 26 KG 4 KN 5 HM 12 LM 5		8
1574	28.72	218.10351	0.0000	0.54	[M+ACN+HCOOH-H]-	(27 names) Butoxyacetic acid; Ethyl 3-hydroxybutyrate; Paraldehyde; 2-Hydroxycaproic acid; 2-Ethoxyethyl acetate; 6-Hydroxyhexanoic acid; (+/-)-1-Acetoxy-1-ethoxyethane; D-Leucic acid; Ophiocerin A; (-)-Ophiocerin A; Solk...	ALL 26 KG 4 KN 5 HM 12 LM 5	MS2	150

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

関連ピーク情報