ピーク情報

＜調味料類＞（調味ソース類）オイスターソース

pos

Peak #2821 MN MID: SE120_S170311_M90

m/z: 207.06530, RT: 41.71, 強度: 9032, ログ強度: 0.33, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 1

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	0.502	5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone	HMDB: HMDB0041691
C11H12O5	224.06847	0.502	Massarigenin C	KNApSAcK: C00034427, C00044910, C00044911
C11H12O5	224.06847	0.502	Calaminthone	KNApSAcK: C00010842
C11H12O5	224.06847	0.502	Spiromassaritone	KNApSAcK: C00034688
C11H12O5	224.06847	0.502	3-Benzylmalic acid	KEGG: C20654
C11H12O5	224.06847	0.502	Plumbagic acid	KNApSAcK: C00050393
C11H12O5	224.06847	0.502	Sepedonin	KNApSAcK: C00023994
C11H12O5	224.06847	0.502	2-Benzylmalic acid	KEGG: C20653
C11H12O5	224.06847	0.502	Sinapic acid	HMDB: HMDB0032616, HMDB0034069 KEGG: C00482 KNApSAcK: C00002776, C00034327
C11H12O5	224.06847	0.502	Methyl 5-hydroxyferulate	KNApSAcK: C00052739
C11H12O5	224.06847	0.502	Eutypellin A	KNApSAcK: C00047870
C11H12O5	224.06847	0.502	Sparanone A	KNApSAcK: C00044316
C11H12O5	224.06847	0.502	Elenolide	HMDB: HMDB0030018
C11H12O5	224.06847	0.502	2-Oxo-2-(3,4,5-trimethoxyphenyl)acetaldehyde	HMDB: HMDB0245283
C11H12O5	224.06847	0.502	Sparanone B	KNApSAcK: C00044317
C11H12O5	224.06847	0.502	3-(5-(2-carboxyethyl)-4-methylfuran-2-yl)-2E-propenoic acid	LipidMAPS: LMFA01150052
C11H12O5	224.06847	0.502	Plumbolactone B	KNApSAcK: C00050395

MSnスペクトル情報

Level: 2, プリカーサーm/z: 207.06485

Splash: splash10-03di-0900000000-081692ea2b1d7332891b

m/z	Int.	NL	Rel.Int.
162.98	40411	44	1000
179.05	2201	28	54

Level: 3, プリカーサーm/z: 162.97717

Splash: splash10-001i-0900000000-21d8cc38d98728793cf9

m/z	Int.	NL	Rel.Int.
134.93	19494	28	1000
120.94	1454	42	74
116.86	975	46	50

Level: 3, プリカーサーm/z: 179.04512

Splash: splash10-000i-0900000000-945be38a242b381eb32b

m/z	Int.	NL	Rel.Int.
136.96	936	42	1000
118.86	322	60	344
150.98	167	28	178
109.04	112	70	119
160.96	49	18	52

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
	41.69	225.07594	18.0106	0.64	[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		1
2821	41.71	207.06530	0.0000	0.33	[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			1

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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