ピーク情報

シロイヌナズナ　地上部

pos

Peak #13319 MN MID: SE200_S1_M90

m/z: 792.52754, RT: 101.42, 強度: 407531, ログ強度: 1.98, アダクト: [M+CH3OH-2(H2O)+NH4]+, [M+CH5N+H]+, [M+Na]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (5 names) Nephelioside III;Sapinmusaponin H;(-)-Sapinmusaponin H;Sapinmusaponin F;(-)-Sapinmusaponin F

DBごとのヒット数: ALL 3 KN 3

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
C43H70O12	778.48673	2.439	Sapinmusaponin H	KNApSAcK: C00041834
C43H70O12	778.48673	2.439	Nephelioside III	KNApSAcK: C00043766
C43H70O12	778.48673	2.439	Sapinmusaponin F	KNApSAcK: C00041832, C00041833

MSnスペクトル情報

Level: 2, プリカーサーm/z: 792.52454

Splash: splash10-001i-0000090000-83de50cd55bd22151865

m/z	Int.	NL	Rel.Int.
581.42	100906	211	1000
599.29	24632	193	244

Level: 3, プリカーサーm/z: 581.39453

Splash: splash10-004i-0090000000-5810239a5aaa2a31c230

m/z	Int.	NL	Rel.Int.
275.28	26374	306	1000
293.23	11164	288	423
257.26	3975	324	150
349.33	2163	232	82
215.20	1565	366	59

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(2OH)	Flavone	Lucenin 1
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(2OH)	Flavone	Lucenin 3
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH)	Flavone	Carlinoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH)	Flavone	Isocarlinoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(2OH)	Flavone	Neocarlinoside

Level: 3, プリカーサーm/z: 599.24994

Splash: splash10-001i-0024090000-132b44b7f1920581d272

m/z	Int.	NL	Rel.Int.
581.53	2968	18	1000
349.28	1078	250	363
293.27	588	306	197
307.14	328	292	110
275.21	294	324	98
367.38	260	232	87
525.47	197	74	66
563.53	161	36	54

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroperoxy-1,7-bis-(4-hydroxyphenyl)-hept-2-enyl))-B(1OH)	2'-Hydroxychalcone	Calyxin A
0.000	[Dihydrochalcone]-A(3OH, 2(C-Glu))-B(1OH)	Dihydrochalcone	Phloretin 3',5'-Di-C-glucoside

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	FS3	共有数
13319	101.42	792.52754	0.0000	1.98	[M+CH3OH-2(H2O)+NH4]+, [M+CH5N+H]+, [M+Na]+	(5 names) Nephelioside III; Sapinmusaponin H; (-)-Sapinmusaponin H; Sapinmusaponin F; (-)-Sapinmusaponin F	ALL 3 KN 3	MS2 MS3 x 2		4
	101.46	783.46648	-9.0611	1.62	[M-H2O+Na]+, [M+Na]+	(5 names) Nephelioside III; Sapinmusaponin H; (-)-Sapinmusaponin H; Sapinmusaponin F; (-)-Sapinmusaponin F	ALL 3 KN 3	MS2 MS3 x 2	0.083	7
	101.45	778.51176	-14.0158	2.16	[M-H2O+NH4]+, [M+NH4]+	(5 names) Nephelioside III; Sapinmusaponin H; (-)-Sapinmusaponin H; Sapinmusaponin F; (-)-Sapinmusaponin F	ALL 3 KN 3			7
	101.42	761.48667	-31.0409	2.28	[M+H]+	(3 names) 1-(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-O-beta-D-galactosyl-sn-glycerol; 1-((9Z,12Z,15Z-octadecatrienoyl)-2-(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopent-4-enehe...	ALL 3 LM 3			7

ピーク情報

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MSnスペクトル情報

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