ピーク情報

シロイヌナズナ　地上部

pos

Peak #4490 MN MID: SE200_S1_M90

m/z: 481.19169, RT: 47.73, 強度: 188539, ログ強度: 1.65, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (2 names) Eleganoside A;5alpha-Pregnan-3beta,20beta-diol disulfate

DBごとのヒット数: ALL 2 KN 1 HM 1

FlavonoidSearch最大スコア MS2: 0.077, MS3: 0.091

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
C20H32O13	480.18429	0.261	Eleganoside A	KNApSAcK: C00037088
C21H36O8S2	480.18516	-1.548	5alpha-Pregnan-3beta,20beta-diol disulfate	HMDB: HMDB0094650, HMDB0240581, HMDB0240582, HMDB0242117

MSnスペクトル情報

Level: 2, プリカーサーm/z: 481.19147

Splash: splash10-01q9-0018900000-e6e315816a31a11785e7

m/z	Int.	NL	Rel.Int.
334.99	7038	146	1000
463.02	6691	18	950
316.85	2159	164	306
445.16	1301	36	184
462.39	1015	19	144
419.23	991	62	140
231.00	818	250	116
212.83	569	268	80

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Flavone]-A(2OH, 1(C-Glu))-B(4OH)	Flavone	Telephioidin

Level: 3, プリカーサーm/z: 334.97565

Splash: splash10-014i-0139000000-cd72d3f94f9a1fa291c0

m/z	Int.	NL	Rel.Int.
317.02	1010	18	1000
231.09	190	104	188
126.94	115	208	114
299.15	91	36	89
212.94	81	122	80

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[Dihydroflavonol]-A(2OH, 1OMe)-B(2OH)	Dihydroflavonol	Diosalol
0.091	[Dihydroflavonol]-A(2OH)-B(2OH, 1OMe)	Dihydroflavonol	3,5,7,4',5'-Pentahydroxy-3'-methoxyflavanone
0.091	[Dihydroflavonol]-A(2OH)-B(2OH, 1OMe)	Dihydroflavonol	Pallasiin
0.045	[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Isoflavone	Calopogoniumisoflavone A
0.045	[Flavonol]-A(4OH)-B(2OH)	Flavonol	8-Hydroxyquercetagetin
0.045	[Flavonol]-A(3OH)-B(3OH)	Flavonol	3,5,6,7,2',3',4'-Heptahydroxyflavone
0.045	[Flavonol]-A(3OH)-B(3OH)	Flavonol	Hibiscetin
0.000	[Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumestan	Sophoracoumestan A
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	Isopongaflavone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	5-Methoxy-2,2-dimethyl-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
0.000	[Auronol]-A(2OH)-B(2OH, 1OMe)	Auronol	Amaronol B
0.000	[Dihydroflavonol]-A(2OH)-B(2OH, 1Hydroxymethyl)	Dihydroflavonol	6'-Hydroxymethyltaxifolin
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(3OH)	Dihydroflavonol	Cedrin
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavonol	Karanjachromene
0.000	[Flavan 3,4-diol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavan 3,4-diol	Mesquitol-4beta-ol 3,8-dimethyl ether
0.000	[Pterocarpene]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpene	3-O-Methylanhydrotuberosin
0.000	[Dehydrorotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Dehydrorotenone	Dehydrodolineone

Level: 3, プリカーサーm/z: 462.93549

Splash: splash10-00rj-0109600000-9027f1aada1ad3abd84a

m/z	Int.	NL	Rel.Int.
419.79	13	43	1000
386.84	11	76	813
445.32	11	18	809
323.16	9	140	693
315.34	9	148	675
385.31	7	78	497
185.92	6	277	434
449.38	3	14	233
374.78	3	88	187
340.04	2	123	112
285.08	1	178	98

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.063	[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavone	Isoscoparin
0.063	[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavone	6-C-beta-D-Glucopyranosyldiosmetin
0.063	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH)	Flavone	Swertiajaponin
0.063	[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavone	Scoparin
0.063	[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavone	8-C-beta-D-Glucopyranosyldiosmetin
0.063	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH)	Flavone	Parkinsonin A
0.063	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH)	Flavone	Isoswertiajaponin
0.063	[Flavonol]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Flavonol	Keyakinin
0.063	[Isoflavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Isoflavone	Dalpanitin
0.000	[Flavone]-A(4OMe)-B(4OMe)	Flavone	Agehoustin A
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(2OH, 3(C-Prenyl))-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone	Helilupolone
0.000	[Flavonol]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(2OH)	Flavonol	6-C-Rhamnopyranosylrhamnetin
0.000	[Flavonol (3-OMe)]-A(4OMe)-B(3OMe)	Flavonol	Exoticin
0.000	[Flavonol (3-OMe)]-A(4OMe)-B(3OMe)	Flavonol	Purpurascenin
0.000	[Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl))	Flavan	Kazinol E
0.000	[Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl))	Flavan	Kazinol Q
0.000	[CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin (3',4'-Dihydroxy)]-A(1OH)-B(1OH, 2OMe)	CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin	Malvidin 4-vinylcatechol
0.000	[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Euchrenone b3

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