ピーク情報

トマト Micro-Tom 成熟果実の果肉

pos

Peak #7827 MN MID: SE203_S21_M90

m/z: 579.22020, RT: 56.79, 強度: 7142, ログ強度: 0.37, アダクト: [M+K]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (5 names) Valtrate hydrine B3;IVHD-valtrate;Isovaleroxyhydroxydihydrovaltrate;Isovaleroxy-hydroxy dihydrovaltrate;Tetrahydroaldosterone-3-glucuronide

DBごとのヒット数: ALL 3 KN 2 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
C27H40O11	540.25706	-0.045	Valtrate hydrine B3	KNApSAcK: C00040618
C27H40O11	540.25706	-0.045	IVHD-valtrate	KNApSAcK: C00047463, C00047935
C27H40O11	540.25706	-0.045	Tetrahydroaldosterone-3-glucuronide	HMDB: HMDB0010357 LipidMAPS: LMST05010067

MSnスペクトル情報

Level: 2, プリカーサーm/z: 579.21924

Splash: splash10-000i-0000090000-e9a6f4304ddfbe71d454

m/z	Int.	NL	Rel.Int.
535.40	1464	44	1000
561.41	77	18	52

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 1(1(O-p-Coumaroyl)-C-Glu))-B(1OH)	Flavone	Vitexin 2''-O-p-coumarate
[Flavone]-A(1OH, 1OMe, 1(C-Glu), 1(C-Arabinosyl))-B(1OH)	Flavone	6-C-Glucopyranosyl-8-C-arabinopyranosylgenkwanin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(1OH)	Flavone	Violanthin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(1OH)	Flavone	Isoviolanthin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Chinovosyl))-B(1OH)	Flavone	Violarvensin
[Flavone]-A(2OH, 2(C-Rhamnosyl))-B(2OH)	Flavone	6,8-Di-C-rhamnopyranosylluteolin

Level: 3, プリカーサーm/z: 535.40167

Splash: splash10-002f-0001910000-216c0e08e166053580b8

m/z	Int.	NL	Rel.Int.
493.27	23	42	1000
475.26	12	60	508
331.26	5	204	233
517.30	5	18	200
507.44	3	28	126

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 1(C-Arabinosyl), 1(C-Xylosyl))-B(1OH)	Flavone	6-C-beta-D-Xylopyranosyl-8-C-alpha-L-arabinopyranosylapigenin
[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH)	Flavone	6,8-Di-C-alpha-L-arabinopyranosylapigenin
[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH)	Flavone	6,8-Di-C-beta-D-arabinopyranosylapigenin
[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH)	Flavone	6-C-alpha-L-Arabinopyranosyl-8-C-beta-L-arabinopyranosylapigenin
[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH)	Flavone	6-C-beta-L-Arabinopyranosyl-8-C-alpha-L-arabinopyranosylapigenin
[Isoflavanone]-A(2OH, 1(C-Glu))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Isoflavanone	Dalpanin

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
7827	56.79	579.22020	0.0000	0.37	[M+K]+	(5 names) Valtrate hydrine B3; IVHD-valtrate; Isovaleroxyhydroxydihydrovaltrate; Isovaleroxy-hydroxy dihydrovaltrate; Tetrahydroaldosterone-3-glucuronide	ALL 3 KN 2 LM 1	MS2 MS3	3
	56.82	563.24649	-15.9737	0.34	[M+Na]+	(5 names) Valtrate hydrine B3; IVHD-valtrate; Isovaleroxyhydroxydihydrovaltrate; Isovaleroxy-hydroxy dihydrovaltrate; Tetrahydroaldosterone-3-glucuronide	ALL 3 KN 2 LM 1	MS2 MS3	4
	56.80	558.29117	-20.9290	0.48	[M+NH4]+	(5 names) Valtrate hydrine B3; IVHD-valtrate; Isovaleroxyhydroxydihydrovaltrate; Isovaleroxy-hydroxy dihydrovaltrate; Tetrahydroaldosterone-3-glucuronide	ALL 3 KN 2 LM 1		4
	56.79	541.26423	-37.9560	0.91	[M+H]+	(5 names) Valtrate hydrine B3; IVHD-valtrate; Isovaleroxyhydroxydihydrovaltrate; Isovaleroxy-hydroxy dihydrovaltrate; Tetrahydroaldosterone-3-glucuronide	ALL 3 KN 2 LM 1		4
	56.80	523.25400	-55.9662	0.86	[M-H2O+H]+	(5 names) Valtrate hydrine B3; IVHD-valtrate; Isovaleroxyhydroxydihydrovaltrate; Isovaleroxy-hydroxy dihydrovaltrate; Tetrahydroaldosterone-3-glucuronide	ALL 3 KN 2 LM 1	MS2	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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