ピーク情報

シロイヌナズナ　地上部

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Peak #4635 MN MID: SE200_S1_M91

m/z: 431.11953, RT: 38.81, 強度: 265454, ログ強度: 1.91, アダクト: [M+HCOOH-H]-, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (9 names) 3,4-Dihydroxyphenylvaleric acid 4 glucuronide;3,5-Dihydroxyphenylvaleric acid glucuronide;1-O-Sinapoylglucose;3'-O-beta-Glucopyranosyl plumbagic acid;3,4-Dihydroxyphenylvaleric acid 3 glucuronide;Hedy...

DBごとのヒット数: ALL 9 KG 2 KN 2 HM 5

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
C17H22O10	386.12130	0.066	3,4-Dihydroxyphenylvaleric acid 4 glucuronide	HMDB: HMDB0240446
C17H22O10	386.12130	0.066	3,5-Dihydroxyphenylvaleric acid glucuronide	HMDB: HMDB0240451
C17H22O10	386.12130	0.066	1-O-Sinapoyl-beta-D-glucose	HMDB: HMDB0041175, HMDB0302379 KEGG: C01175 KNApSAcK: C00013592
C17H22O10	386.12130	0.066	3'-O-beta-Glucopyranosyl plumbagic acid	KNApSAcK: C00036560
C17H22O10	386.12130	0.066	3,4-Dihydroxyphenylvaleric acid 3 glucuronide	HMDB: HMDB0240445
C17H22O10	386.12130	0.066	Hedyotoside	KNApSAcK: C00049175
C17H22O10	386.12130	0.066	4-O-beta-D-Glucosyl-sinapate	HMDB: HMDB0303764 KEGG: C02919 KNApSAcK: C00011172
C28H19P	386.12244	-2.891	Diphenyl-1-pyrenylphosphine	HMDB: HMDB0251454
C22H18ON4S	386.12013	3.082	N-Methyl-2-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide	HMDB: HMDB0243646

MSnスペクトル情報

Level: 2, プリカーサーm/z: 431.11938

Splash: splash10-000i-0009000000-d089f75076fda607656a

m/z	Int.	NL	Rel.Int.
385.21	160277	46	1000
223.11	11738	208	73

Level: 3, プリカーサーm/z: 385.20334

Splash: splash10-0zmi-0890000000-118503299199fd625ec3

m/z	Int.	NL	Rel.Int.
153.02	2182	232	1000
223.01	1735	162	795
205.20	1609	180	737
160.95	823	224	377

Level: 3, プリカーサーm/z: 223.12680

Splash: splash10-0zfr-0590000000-3fed910ce41be2e51f34

m/z	Int.	NL	Rel.Int.
152.97	100	70	1000
208.15	90	15	898
204.99	67	18	671

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
4635	38.81	431.11953	0.0000	1.91	[M+HCOOH-H]-	(9 names) 3,4-Dihydroxyphenylvaleric acid 4 glucuronide; 3,5-Dihydroxyphenylvaleric acid glucuronide; 1-O-Sinapoylglucose; 3'-O-beta-Glucopyranosyl plumbagic acid; 3,4-Dihydroxyphenylvaleric acid 3 glucuronide; Hedy...	ALL 9 KG 2 KN 2 HM 5	MS2 MS3 x 2	5
	38.79	421.09085	-10.0287	0.56	[M+HCl-H]-	(9 names) 3,4-Dihydroxyphenylvaleric acid 4 glucuronide; 3,5-Dihydroxyphenylvaleric acid glucuronide; 1-O-Sinapoylglucose; 3'-O-beta-Glucopyranosyl plumbagic acid; 3,4-Dihydroxyphenylvaleric acid 3 glucuronide; Hedy...	ALL 9 KG 2 KN 2 HM 5		1
	38.80	385.11392	-46.0056	2.24	[M-H]-	(9 names) 3,4-Dihydroxyphenylvaleric acid 4 glucuronide; 3,5-Dihydroxyphenylvaleric acid glucuronide; 1-O-Sinapoylglucose; 3'-O-beta-Glucopyranosyl plumbagic acid; 3,4-Dihydroxyphenylvaleric acid 3 glucuronide; Hedy...	ALL 9 KG 2 KN 2 HM 5	MS2 MS3 x 2	14

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

関連ピーク情報