ピーク情報

みずな葉生

pos

Peak #3424 MN MID: SE118_S060721_M90

m/z: 266.10248, RT: 46.97, 強度: 3546, ログ強度: 0.22, アダクト: [M+ACN+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (25 names) 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone;Massarigenin C;(-)-Massarigenin C;Calaminthone;Spiromassaritone;(+)-Spiromassaritone;3-Benzylmalic acid;3-Benzylmalate;Plumbagic acid;(+)-Plumbagic ac...

DBごとのヒット数: ALL 17 KG 3 KN 10 HM 3 LM 1

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
C11H12O5	224.06847	0.820	5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone	HMDB: HMDB0041691
C11H12O5	224.06847	0.820	Massarigenin C	KNApSAcK: C00034427, C00044910, C00044911
C11H12O5	224.06847	0.820	Calaminthone	KNApSAcK: C00010842
C11H12O5	224.06847	0.820	Spiromassaritone	KNApSAcK: C00034688
C11H12O5	224.06847	0.820	3-Benzylmalic acid	KEGG: C20654
C11H12O5	224.06847	0.820	Plumbagic acid	KNApSAcK: C00050393
C11H12O5	224.06847	0.820	Sepedonin	KNApSAcK: C00023994
C11H12O5	224.06847	0.820	2-Benzylmalic acid	KEGG: C20653
C11H12O5	224.06847	0.820	Sinapic acid	HMDB: HMDB0032616, HMDB0034069 KEGG: C00482 KNApSAcK: C00002776, C00034327
C11H12O5	224.06847	0.820	Methyl 5-hydroxyferulate	KNApSAcK: C00052739
C11H12O5	224.06847	0.820	Eutypellin A	KNApSAcK: C00047870
C11H12O5	224.06847	0.820	Sparanone A	KNApSAcK: C00044316
C11H12O5	224.06847	0.820	Elenolide	HMDB: HMDB0030018
C11H12O5	224.06847	0.820	2-Oxo-2-(3,4,5-trimethoxyphenyl)acetaldehyde	HMDB: HMDB0245283
C11H12O5	224.06847	0.820	Sparanone B	KNApSAcK: C00044317
C11H12O5	224.06847	0.820	3-(5-(2-carboxyethyl)-4-methylfuran-2-yl)-2E-propenoic acid	LipidMAPS: LMFA01150052
C11H12O5	224.06847	0.820	Plumbolactone B	KNApSAcK: C00050395

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	共有数
3424	46.97	266.10248	0.0000	0.22	[M+ACN+H]+	(25 names) 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone; Massarigenin C; (-)-Massarigenin C; Calaminthone; Spiromassaritone; (+)-Spiromassaritone; 3-Benzylmalic acid; 3-Benzylmalate; Plumbagic acid; (+)-Plumbagic ac...	ALL 17 KG 3 KN 10 HM 3 LM 1			3
	46.98	225.07591	-41.0266	1.51	[M+H]+	(25 names) 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone; Massarigenin C; (-)-Massarigenin C; Calaminthone; Spiromassaritone; (+)-Spiromassaritone; 3-Benzylmalic acid; 3-Benzylmalate; Plumbagic acid; (+)-Plumbagic ac...	ALL 17 KG 3 KN 10 HM 3 LM 1	MS2 MS3	0.125	6
	47.00	207.06536	-59.0371	1.19	[M-H2O+H]+	(25 names) 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone; Massarigenin C; (-)-Massarigenin C; Calaminthone; Spiromassaritone; (+)-Spiromassaritone; 3-Benzylmalic acid; 3-Benzylmalate; Plumbagic acid; (+)-Plumbagic ac...	ALL 17 KG 3 KN 10 HM 3 LM 1	MS2 MS3 x 2		5

ピーク情報

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MSnスペクトル情報

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