ピーク情報

リーフレタスグリーン

pos

Peak #12386 MN MID: SE198_S12_M90

m/z: 425.21532, RT: 97.79, 強度: 1809, ログ強度: -0.24, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 8

DB検索結果: (4 names) Cinitapride;5S,15S-dihydroxy-9S,11R,8S,12S-diperoxy-6E,13E-eicosadienoic acid;3,3-Bis(carboxymethyl)hexadecanedioic acid;Acetyl tributyl citrate

DBごとのヒット数: ALL 4 HM 3 LM 1

FlavonoidSearch最大スコア MS2: 0.067, MS3: 0.167

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 0

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
C21H30O4N4	402.22671	-1.499	Cinitapride	HMDB: HMDB0015698
C20H34O8	402.22537	1.826	5S,15S-dihydroxy-9S,11R,8S,12S-diperoxy-6E,13E-eicosadienoic acid	LipidMAPS: LMFA03000011
C20H34O8	402.22537	1.826	3,3-Bis(carboxymethyl)hexadecanedioic acid	HMDB: HMDB0257897
C20H34O8	402.22537	1.826	Acetyl tributyl citrate	HMDB: HMDB0034159

MSnスペクトル情報

Level: 2, プリカーサーm/z: 425.21524

Splash: splash10-014i-0009100000-0883c9c910d7fccf8ade

m/z	Int.	NL	Rel.Int.
365.21	778	60	1000
281.21	62	144	79
407.44	58	18	74
406.32	41	19	53

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.067	[Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(1OH)	Dihydroflavonol	6,8-diprenylaromadendrin
0.067	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Dihydroflavonol	Lespedezaflavanone C
0.059	[Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH)	Flavanone	Monotesone B
0.059	[Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH)	Flavanone	6,8-Diprenyleriodictyol
0.059	[Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH)	Flavanone	Kushenol E
0.059	[Flavanone]-A(2OH)-B(2OH, 2(C-Prenyl))	Flavanone	Sigmoidin A
0.059	[Flavanone]-A(2OH)-B(2OH, 2(C-Prenyl))	Flavanone	Abyssinin III
0.059	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavanone	3'-Dimethylallylkievitone
0.059	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavanone	Gancaonin E
0.059	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavanone	5,7,3',4'-Tetrahydroxy-6,5'-di-C-prenylflavanone
0.059	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavanone	Lespedezaflavanone D
0.000	[Flavone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Flavone	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
0.000	[2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	2'-Hydroxychalcone	Angusticornin B
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(4-Hydroxy-5-(hydroxyisopropanyl)dihydrofurano)))	2'-Hydroxychalcone	Paratocarpin G
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	2'-Hydroxychalcone	Tephropurpurin
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	beta-Hydroxy(or Oxodihydro)chalcone	Glyinflanin E
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1(C-Prenyl))	beta-Hydroxy(or Oxodihydro)chalcone	Glyinflanin F
0.000	[Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(4-Ispropyl-7-methyl-7-hydroxy-3a,4,5,6,7,7a-hexahydrobenzofurano)))-B(none)	Dihydrochalcone	Adunctin E
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(2OH, 1OMe, 2(C-Prenyl))-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone	Helihumulone
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(2OH)	Flavanone	Exiguaflavanone A
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(2OH)	Flavanone	Exiguaflavanone L
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Flavanone	Lupiniol A1
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	Flavanone	Lupiniol B
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(3-Methyl-2,3-epoxybutyl))	Flavanone	Flemiflavanone D
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Flavanone	Lonchocarpol C
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Flavanone	Lonchocarpol D
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(2OH)	Flavanone	Diplacone
0.000	[Flavanone]-A(2OH)-B(2OH, 1Geranyl)	Flavanone	Propolin D
0.000	[Flavanone]-A(2OH)-B(2OH, 1Geranyl)	Flavanone	Isonymphaeol B
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH)	Flavanone	Dorsmanin J
0.000	[Flavanone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH)	Flavanone	Dorsmanin E
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1,1-Dimethylallyl))	Flavanone	2',4'-Dihydroxy-5'-(1'',1''-dimethylallyl)-6-C-prenylpinocembrin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1,1-Dimethylallyl))	Flavanone	5,7,2',4'-Tetrahydroxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone
0.000	[Flavanone]-A(2OH)-B(2OH, 1Geranyl)	Flavanone	Sanggenol A
0.000	[Flavanone]-A(2OH)-B(2OH, 1Geranyl)	Flavanone	5'-Geranylsteppogenin
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(2OH)	Flavanone	Sophoraflavanone C
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(2OH)	Flavanone	Kushenol F
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(2OH)	Flavanone	Sophoraflavanone G
0.000	[Flavanone]-A(2OH, 1(2-Isopropenyl-5-methyl-5-hexenyl))-B(2OH)	Flavanone	Remangiflavanone B
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(2OH)	Flavanone	Leachianone F
0.000	[Dihydroflavonol]-A(2OH, 1Geranyl)-B(1OH)	Dihydroflavonol	Bonanniol A
0.000	[Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Carboxy-2-hydroxyphenyl))	Dihydroflavonol	Hypnum acid
0.000	[Flavonol (3-OMe)]-A(1OMe, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe)	Flavonol	8-C-Methylvelloquercetin 3,5,3'-trimethyl ether
0.000	[Flavan 3-ol]-A(1OH)-B(2OH)	Flavan 3-ol	6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
0.000	[Isoflavanone]-A(2OH, 1Geranyl)-B(2OH)	Isoflavanone	6-Geranyldalbergioidin
0.000	[Isoflavan]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavan	Licoricidin
0.000	[Rotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Rotenone	Erythynone
0.000	[12a-Hydroxyrotenone (3-OMe)]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	12a-Hydroxyrotenone	12a-Methoxyrotenone
0.000	[6-Hydroxydehydrorotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	6-Hydroxydehydrorotenone	6-Hydroxy-6a,12a-dehydro-alpha-toxicarol

Level: 3, プリカーサーm/z: 365.24182

Splash: splash10-0a4i-0009000000-299c064dcf99c8ca880b

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Coumestan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Coumestan	Gancaonin F
0.048	[Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Isoflavone	Alpinumisoflavone dimethyl ether
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavone	Carpachromene dimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavonol	3,6-Dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavonol	3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Robustone
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	5-Hydroxy-3',4'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone
0.000	[Dehydrorotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Dehydrorotenone	Dehydropachyrrhizone

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	N原子数	S原子数	共有数
12386	97.79	425.21532	0.0000	-0.24	[M+Na]+	(4 names) Cinitapride; 5S,15S-dihydroxy-9S,11R,8S,12S-diperoxy-6E,13E-eicosadienoic acid; 3,3-Bis(carboxymethyl)hexadecanedioic acid; Acetyl tributyl citrate	ALL 4 HM 3 LM 1	MS2 MS3	0.067	0.167	N 0	S 0	8
	97.78	403.23329	-21.9820	0.23	[M+H]+	(4 names) 5S,15S-dihydroxy-9S,11R,8S,12S-diperoxy-6E,13E-eicosadienoic acid; 3,3-Bis(carboxymethyl)hexadecanedioic acid; Acetyl tributyl citrate; Cinitapride	ALL 4 HM 3 LM 1	MS2	0.133		N 0	S 0	4

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

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