ピーク情報

はつか大根　葉

neg

Peak #3031 MN MID: SE202_S21_M91

m/z: 451.12484, RT: 28.57, 強度: 19122, ログ強度: 0.82, アダクト: [M-H]-, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (20 names) Catechin 5-glucoside;Curculigoside B;6-C-Glucopyranosylcatechin;3,4,5-trihydroxy-6-({2-[3-(7-methoxy-2-oxo-2H-chromen-6-yl)oxiran-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid;Coatline B;3-Hydroxyphlor...

DBごとのヒット数: ALL 18 KN 14 HM 4

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
C21H24O11	452.13186	0.563	Catechin-5-O-beta-D-glucopyranoside	FlavonoidViewer: FL63ACGS0010, FL63ACGS0011 HMDB: HMDB0037948 KNApSAcK: C00008846, C00008847 LipidMAPS: LMPK12020055, LMPK12020056
C21H24O11	452.13186	0.563	Curculigoside B	KNApSAcK: C00031703
C21H24O11	452.13186	0.563	6-C-Glucopyranosylcatechin	FlavonoidViewer: FL63ACCS0001, FL63ACCS0003 HMDB: HMDB0037399, HMDB0037400 KNApSAcK: C00006356, C00006358 LipidMAPS: LMPK12020039, LMPK12020041
C21H24O11	452.13186	0.563	3,4,5-trihydroxy-6-({2-[3-(7-methoxy-2-oxo-2H-chromen-6-yl)oxiran-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid	HMDB: HMDB0130523
C21H24O11	452.13186	0.563	Coatline B	FlavonoidViewer: FL1DHXCS0002 KNApSAcK: C00006116 LipidMAPS: LMPK12120567
C21H24O11	452.13186	0.563	3-Hydroxyphloretin 2'-O-glucoside	HMDB: HMDB0301672
C21H24O11	452.13186	0.563	8-C-Glucopyranosylcatechin	FlavonoidViewer: FL63ACCS0002, FL63ACCS0004, FL63ACCS0005 HMDB: HMDB0037401, HMDB0037402, HMDB0039823 KNApSAcK: C00006357, C00006359, C00013256 LipidMAPS: LMPK12020040, LMPK12020042, LMPK12020043
C21H24O11	452.13186	0.563	Catechin-4-ol 3-O-alpha-L-rhamnopyranoside	FlavonoidViewer: FL6DACGS0003 KNApSAcK: C00009018 LipidMAPS: LMPK12020201
C21H24O11	452.13186	0.563	Sieboldin	FlavonoidViewer: FL1DACGS0001 KNApSAcK: C00007993 LipidMAPS: LMPK12120530
C21H24O11	452.13186	0.563	6'-O-Galloylsalidroside	KNApSAcK: C00033581
C21H24O11	452.13186	0.563	Leucopelargonidin 3-O-glucoside	FlavonoidViewer: FL6DAAGS0001 KNApSAcK: C00009015 LipidMAPS: LMPK12020198
C21H24O11	452.13186	0.563	Catechin 7-O-beta-D-glucopyranoside	FlavonoidViewer: FL63ACGS0016, FL63ACGS0017 HMDB: HMDB0037949 KNApSAcK: C00008852, C00008853 LipidMAPS: LMPK12020060, LMPK12020061
C21H24O11	452.13186	0.563	Aspalathin	FlavonoidViewer: FL1DACCS0001 HMDB: HMDB0030851 KNApSAcK: C00006096 LipidMAPS: LMPK12120529
C21H24O11	452.13186	0.563	Catechin 3'-O-beta-D-glucopyranoside	FlavonoidViewer: FL63ACGS0019 HMDB: HMDB0029164, HMDB0037946 KNApSAcK: C00008855 LipidMAPS: LMPK12020063
C21H24O11	452.13186	0.563	Precarthamin	HMDB: HMDB0031967
C21H24O11	452.13186	0.563	Catechin 4'-O-beta-D-glucopyranoside	FlavonoidViewer: FL63ACGS0020 KNApSAcK: C00008856 LipidMAPS: LMPK12020064
C21H24O11	452.13186	0.563	Catechin 3-O-beta-D-glucopyranoside	FlavonoidViewer: FL63ACGS0002, FL63ACGS0005, FL63ACGS0006 HMDB: HMDB0037943 KNApSAcK: C00008838, C00008841, C00008842, C00033501 LipidMAPS: LMPK12020047, LMPK12020050, LMPK12020051
C21H24O11	452.13186	0.563	7-Hydroxybutylidenephthalide 7-(6-malonylglucoside)	HMDB: HMDB0034753

MSnスペクトル情報

Level: 2, プリカーサーm/z: 451.12473

Splash: splash10-001r-0090800000-2cb0623352642fb3c7f1

m/z	Int.	NL	Rel.Int.
433.20	1402	18	1000
289.11	914	162	651
271.10	502	180	357
272.08	148	179	105
153.02	145	298	103
432.30	106	19	75
306.23	91	145	64
254.07	86	197	61

Level: 3, プリカーサーm/z: 433.19711

Splash: splash10-00di-0090000000-8e59485511f278b9f08a

m/z	Int.	NL	Rel.Int.
271.06	511	162	1000
227.11	100	206	196

Level: 3, プリカーサーm/z: 289.10834

Splash: splash10-0udi-0900000000-43d8c23a875515d75a3c

m/z	Int.	NL	Rel.Int.
152.99	300	136	1000
271.26	19	18	63

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
	28.57	497.13055	46.0057	1.19	[M+HCOOH-H]-	(20 names) Catechin 5-glucoside; Curculigoside B; 6-C-Glucopyranosylcatechin; 3,4,5-trihydroxy-6-({2-[3-(7-methoxy-2-oxo-2H-chromen-6-yl)oxiran-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid; Coatline B; 3-Hydroxyphlor...	ALL 18 KN 14 HM 4		2
3031	28.57	451.12484	0.0000	0.82	[M-H]-	(20 names) Catechin 5-glucoside; Curculigoside B; 6-C-Glucopyranosylcatechin; 3,4,5-trihydroxy-6-({2-[3-(7-methoxy-2-oxo-2H-chromen-6-yl)oxiran-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid; Coatline B; 3-Hydroxyphlor...	ALL 18 KN 14 HM 4	MS2 MS3 x 2	2

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MSnスペクトル情報

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