ピーク情報

シロイヌナズナ　地上部

pos

Peak #11521 MN MID: SE200_S1_M90

m/z: 845.44915, RT: 94.35, 強度: 263116, ログ強度: 1.77, アダクト: [M+CH3OH-H2O+K]+, [M+K]+, [M+CH3OH+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

DBごとのヒット数: ALL 1 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
C47H69O8P	792.47301	-3.360	PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB: HMDB0115425 LipidMAPS: LMGP10010041

Level: 2, プリカーサーm/z: 845.44635

Splash: splash10-0udi-0000090000-94b4ae086cabd94719d8

m/z	Int.	NL	Rel.Int.
553.31	3237	292	1000
549.27	1067	296	329
521.22	993	324	306
581.27	623	264	192
537.43	490	308	151
554.32	414	291	127
522.23	322	323	99
761.58	223	84	69
827.70	215	18	66
550.32	214	295	66

Level: 3, プリカーサーm/z: 549.45441

Splash: splash10-004i-0020900000-e9f56fe66e88c4a7b80a

m/z	Int.	NL	Rel.Int.
479.31	112	70	1000
240.99	21	308	190
226.20	6	323	50

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(2OH)	2'-Hydroxychalcone	3,4-Dihydroxyrottlerin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(none)	Flavone	Chrysin 6-C-glucoside-8-C-alpha-L-arabinopyranoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(none)	Flavone	Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside
[Flavone]-A(1OH, 1OMe, 2(C-Arabinosyl))-B(1OH)	Flavone	Almeidein
[4-substituted Flavan (4-(1-dodecanoyl-2,4,6-trihydroxyphenyl))]-A(1OH)-B(1OH)	4-substituted Flavan	Myristinin A

Level: 3, プリカーサーm/z: 553.36755

Splash: splash10-00di-0090000000-5076ffbf190fa6e5314c

m/z	Int.	NL	Rel.Int.
220.11	13	333	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 1(1(O-p-Hydroxybenzoyl)-C-Glu))-B(1OH)	Flavone	Vitexin 2''-p-hydroxybenzoate
[Flavone]-A(2OH, 1(C-Glu), 1(1-(4-Hydroxyphenyl)ethyl))-B(1OH)	Flavone	Cucumerin B
[Flavone]-A(2OH, 1(C-Glu), 1(1-(4-Hydroxyphenyl)ethyl))-B(1OH)	Flavone	Cucumerin A

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
11521	94.35	845.44915	0.0000	1.77	[M+CH3OH-H2O+K]+, [M+K]+, [M+CH3OH+H]+	PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	ALL 1 LM 1	MS2 MS3 x 2	1
	94.34	829.47375	-15.9754	2.26	[M+CH3OH-2(H2O)+Na]+, [M+CH3OH+Na]+, [M+Na]+, [M-H2O+Na]+	(22 names) Thalictoside I; Goyaglycoside g; PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)); PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)); PA(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/22:5(4Z,...	ALL 22 KN 1 HM 21	MS2 MS3	1
	94.34	824.51737	-20.9318	2.49	[M+CH5N+H]+, [M+NH4]+, [M+CH3OH-2(H2O)+NH4]+, [M-H2O+NH4]+	(2 names) Stichoposide; Sanguisorbin E	ALL 2 HM 2	MS2 MS3	1