ピーク情報

こまつな葉生

pos

Peak #2987 MN MID: SE114_S060861_M90

m/z: 207.06522, RT: 47.14, 強度: 40038, ログ強度: 1.21, 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	0.163	5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone	HMDB: HMDB0041691
C11H12O5	224.06847	0.163	Massarigenin C	KNApSAcK: C00034427, C00044910, C00044911
C11H12O5	224.06847	0.163	Calaminthone	KNApSAcK: C00010842
C11H12O5	224.06847	0.163	Spiromassaritone	KNApSAcK: C00034688
C11H12O5	224.06847	0.163	3-Benzylmalic acid	KEGG: C20654
C11H12O5	224.06847	0.163	Plumbagic acid	KNApSAcK: C00050393
C11H12O5	224.06847	0.163	Sepedonin	KNApSAcK: C00023994
C11H12O5	224.06847	0.163	2-Benzylmalic acid	KEGG: C20653
C11H12O5	224.06847	0.163	Sinapic acid	HMDB: HMDB0032616, HMDB0034069 KEGG: C00482 KNApSAcK: C00002776, C00034327
C11H12O5	224.06847	0.163	Methyl 5-hydroxyferulate	KNApSAcK: C00052739
C11H12O5	224.06847	0.163	Eutypellin A	KNApSAcK: C00047870
C11H12O5	224.06847	0.163	Sparanone A	KNApSAcK: C00044316
C11H12O5	224.06847	0.163	Elenolide	HMDB: HMDB0030018
C11H12O5	224.06847	0.163	2-Oxo-2-(3,4,5-trimethoxyphenyl)acetaldehyde	HMDB: HMDB0245283
C11H12O5	224.06847	0.163	Sparanone B	KNApSAcK: C00044317
C11H12O5	224.06847	0.163	3-(5-(2-carboxyethyl)-4-methylfuran-2-yl)-2E-propenoic acid	LipidMAPS: LMFA01150052
C11H12O5	224.06847	0.163	Plumbolactone B	KNApSAcK: C00050395

MSnスペクトル情報

Level: 2, プリカーサーm/z: 207.06520

Splash: splash10-00di-0900000000-3e561f987208ef9394d9

m/z	Int.	NL	Rel.Int.
174.96	173711	32	1000
192.07	47725	15	274

Level: 3, プリカーサーm/z: 174.95778

Splash: splash10-0002-0900000000-1834d404011eb01a539e

m/z	Int.	NL	Rel.Int.
147.03	54579	28	1000
118.90	15957	56	292
129.01	4594	46	84

Level: 3, プリカーサーm/z: 192.08904

Splash: splash10-00di-0900000000-7b0b16b824611a54b80d

m/z	Int.	NL	Rel.Int.
174.01	17005	18	1000
146.02	3591	46	211

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	FS3	共有数
	47.13	225.07578	18.0106	1.63	[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
2987	47.14	207.06522	0.0000	1.21	[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

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

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FlavonoidSearch結果

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