ピーク情報

みずな葉生

pos

Peak #3432 MN MID: SE118_S060721_M90

m/z: 207.06536, RT: 47.00, 強度: 33133, ログ強度: 1.19, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 5

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	0.784	5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone	HMDB: HMDB0041691
C11H12O5	224.06847	0.784	Massarigenin C	KNApSAcK: C00034427, C00044910, C00044911
C11H12O5	224.06847	0.784	Calaminthone	KNApSAcK: C00010842
C11H12O5	224.06847	0.784	Spiromassaritone	KNApSAcK: C00034688
C11H12O5	224.06847	0.784	3-Benzylmalic acid	KEGG: C20654
C11H12O5	224.06847	0.784	Plumbagic acid	KNApSAcK: C00050393
C11H12O5	224.06847	0.784	Sepedonin	KNApSAcK: C00023994
C11H12O5	224.06847	0.784	2-Benzylmalic acid	KEGG: C20653
C11H12O5	224.06847	0.784	Sinapic acid	HMDB: HMDB0032616, HMDB0034069 KEGG: C00482 KNApSAcK: C00002776, C00034327
C11H12O5	224.06847	0.784	Methyl 5-hydroxyferulate	KNApSAcK: C00052739
C11H12O5	224.06847	0.784	Eutypellin A	KNApSAcK: C00047870
C11H12O5	224.06847	0.784	Sparanone A	KNApSAcK: C00044316
C11H12O5	224.06847	0.784	Elenolide	HMDB: HMDB0030018
C11H12O5	224.06847	0.784	2-Oxo-2-(3,4,5-trimethoxyphenyl)acetaldehyde	HMDB: HMDB0245283
C11H12O5	224.06847	0.784	Sparanone B	KNApSAcK: C00044317
C11H12O5	224.06847	0.784	3-(5-(2-carboxyethyl)-4-methylfuran-2-yl)-2E-propenoic acid	LipidMAPS: LMFA01150052
C11H12O5	224.06847	0.784	Plumbolactone B	KNApSAcK: C00050395

MSnスペクトル情報

Level: 2, プリカーサーm/z: 207.06503

Splash: splash10-00di-0900000000-7dd168230f5bf2519460

m/z	Int.	NL	Rel.Int.
174.94	294252	32	1000
192.06	51663	15	175

Level: 3, プリカーサーm/z: 174.94455

Splash: splash10-0002-0900000000-c249a9d7c0577b4b7a49

m/z	Int.	NL	Rel.Int.
147.03	155286	28	1000
118.95	50141	56	322
128.92	11682	46	75

Level: 3, プリカーサーm/z: 192.06090

Splash: splash10-00di-0900000000-2f2707f27d6f76e7ecbe

m/z	Int.	NL	Rel.Int.
173.96	33548	18	1000
146.02	7612	46	226

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
	46.97	266.10248	59.0371	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	18.0106	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
3432	47.00	207.06536	0.0000	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

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MSnスペクトル情報

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