ピーク情報

シロイヌナズナ　地上部

pos

Peak #13588 MN MID: SE200_S1_M90

m/z: 831.46787, RT: 102.30, 強度: 422320, ログ強度: 2.00, アダクト: [M+CH3OH-H2O+K]+, [M+K]+, 共有数（同様のピークを含むサンプル数）: 2

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	3.001	Sapinmusaponin H	KNApSAcK: C00041834
C43H70O12	778.48673	3.001	Nephelioside III	KNApSAcK: C00043766
C43H70O12	778.48673	3.001	Sapinmusaponin F	KNApSAcK: C00041832, C00041833

Level: 2, プリカーサーm/z: 831.46570

Splash: splash10-0udi-0000090000-fb3f25402b37d2f0038b

m/z	Int.	NL	Rel.Int.
552.41	4707	279	1000
551.34	2279	280	484
520.44	2144	311	455
519.49	1135	312	241
553.38	922	278	195
507.31	907	324	192
521.54	706	310	149
581.45	491	250	104
333.26	312	498	66
668.34	295	163	62
760.75	252	71	53

Level: 3, プリカーサーm/z: 551.33850

Splash: splash10-00c0-0002900000-68cb0777869761685ec7

m/z	Int.	NL	Rel.Int.
481.30	458	70	1000
426.41	320	125	697
423.35	170	128	371
425.43	156	126	341
410.41	94	141	204
390.35	82	161	178
424.71	81	127	176
313.36	75	238	163
440.41	67	111	145
241.11	64	310	139
389.24	52	162	114
482.29	50	69	109
367.20	49	184	107
370.13	49	181	106
333.10	40	218	86
277.87	39	273	85
258.10	28	293	61
424.05	27	127	58
342.57	26	209	57

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 2(C-Arabinosyl))-B(2OH)	Flavone	6,8-Di-C-Arabinosylluteolin
[Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe)	Dihydroflavonol	Rel-5-hydroxy-7,4'-dimethoxy-2''S-(2,4,5-trimethoxy-E-styryl)-tetrahydrofuro[4''R,5''R:2,3]flavanonol
[Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe)	Dihydroflavonol	Rel-5-Hydroxy-7,4'-dimethoxy-3''S-(2,4,5-trimethoxy-E-styryl)tetrahydrofuro[4''R,5''R:2,3]flavanonol

Level: 3, プリカーサーm/z: 552.40973

Splash: splash10-005c-0014900000-214558748d86b680aa2f

m/z	Int.	NL	Rel.Int.
426.31	250	126	1000
482.40	190	70	760
390.40	168	162	673
242.10	57	310	229
424.31	49	128	197
369.87	45	183	181
287.55	39	265	157
314.21	39	238	157
425.48	35	127	140
224.71	31	328	125
327.48	31	225	123
481.40	26	71	103
408.41	26	144	103
534.59	21	18	84
427.39	21	125	83
414.29	20	138	80
440.21	20	112	80
410.40	20	142	79
312.98	18	239	73
391.23	17	161	69

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
13588	102.30	831.46787	0.0000	2.00	[M+CH3OH-H2O+K]+, [M+K]+	(5 names) Nephelioside III; Sapinmusaponin H; (-)-Sapinmusaponin H; Sapinmusaponin F; (-)-Sapinmusaponin F	ALL 3 KN 3	MS2 MS3 x 2		2
	102.27	824.55569	-6.9122	2.85	[M+2(CH3OH)-2(H2O)+NH4]+, [M+CH3OH+CH5N+H]+, [M+K]+, [M+Na]+, [M+NH4]+, [M+H]+	(5 names) Nephelioside III; Sapinmusaponin H; (-)-Sapinmusaponin H; Sapinmusaponin F; (-)-Sapinmusaponin F	ALL 3 KN 3	MS2 MS3 x 2		12
	102.31	815.49551	-15.9724	2.32	[M+CH3OH-H2O+Na]+, [M+Na]+	(5 names) Nephelioside III; Sapinmusaponin H; (-)-Sapinmusaponin H; Sapinmusaponin F; (-)-Sapinmusaponin F	ALL 3 KN 3	MS2 MS3 x 2	0.080	3
	102.26	793.51329	-37.9546	1.45	[M+CH3OH+H]+, [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			1