ピーク情報

シロイヌナズナ　地上部

pos

Peak #11884 MN MID: SE200_S1_M90

m/z: 786.50256, RT: 95.98, 強度: 62184, ログ強度: 1.17, アダクト: [M+IsoProp+NH4]+, [M+CH3OH+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (4 names) Alliospiroside A;Hovenidulcioside B2;Aferoside C;(-)-Aferoside C

DBごとのヒット数: ALL 3 KN 1 HM 2

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
C38H60O12	708.40848	3.866	Alliospiroside A	HMDB: HMDB0303122
C38H60O12	708.40848	3.866	Hovenidulcioside B2	HMDB: HMDB0041549
C38H60O12	708.40848	3.866	Aferoside C	KNApSAcK: C00050326

Level: 2, プリカーサーm/z: 786.50146

Splash: splash10-000i-0001962100-ccdc53258cf89f8cb78a

m/z	Int.	NL	Rel.Int.
489.44	2012	297	1000
557.42	664	229	329
575.34	382	211	189
507.39	368	279	182
539.48	296	247	147
335.32	288	451	143
633.50	266	153	132
471.40	224	315	111
623.55	190	163	94
767.39	126	19	62
768.39	126	18	62
624.64	120	162	59
750.42	113	36	55

Level: 3, プリカーサーm/z: 489.43219

Splash: splash10-00fs-0009600000-6dc9c716c2141bcf3293

m/z	Int.	NL	Rel.Int.
471.48	244	18	1000
397.38	195	92	801
379.35	133	110	546
317.38	43	172	176
415.44	39	74	160
433.25	38	56	156
305.25	24	184	96
319.29	19	170	78
351.45	18	138	72
241.12	14	248	55
199.11	13	290	55
361.33	13	128	52
327.55	12	162	50
299.40	12	190	50

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(1OH, 1Methyl, 1([2,3:@@]-(4-Isopropyl-6,6,8,8-tetramethyl-5,7-dioxy-4,8-dihydrochromeno)))-B(none)	Flavanone	Lumaflavanone A
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Amorin
[Flavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Flemichin A
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrenone a11
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrenone a12
[Flavone]-A(1OH, 1OMe, 1(1(O-Acetyl)-C-Glu))-B(1OH)	Flavone	Isoswertisin 2''-O-acetate
[3-substituted Flavone (3-Geranyl)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	3-substituted Flavone	Rubraflavone D
[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	3-substituted Flavone	Sanggenone K
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 2(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Artelastin
[Flavonol]-A(2OH, 2(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavonol	Dorsilurin C

Level: 3, プリカーサーm/z: 557.44733

Splash: splash10-000i-0011390000-a062cbd6f16a37a69a5f

m/z	Int.	NL	Rel.Int.
539.53	160	18	1000
447.47	32	110	201
483.54	27	74	168
465.43	20	92	122
501.44	19	56	119
323.43	15	234	96
311.21	14	246	84
275.20	13	282	82
503.39	12	54	73
313.52	11	244	67
265.22	11	292	66
299.48	8	258	51

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	共有数
	96.09	791.45819	4.9556	0.50	[M+IsoProp+Na]+, [M+IsoProp+H]+	(4 names) Alliospiroside A; Hovenidulcioside B2; Aferoside C; (-)-Aferoside C	ALL 3 KN 1 HM 2	MS2			1
11884	95.98	786.50256	0.0000	1.17	[M+IsoProp+NH4]+, [M+CH3OH+H]+	(4 names) Alliospiroside A; Hovenidulcioside B2; Aferoside C; (-)-Aferoside C	ALL 3 KN 1 HM 2	MS2 MS3 x 2			3