ピーク情報

細ネギ（若香）地下部

pos

Peak #3338 MN MID: SE201_S21_M90

m/z: 625.35933, RT: 42.97, 強度: 685532, ログ強度: 2.25, 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: (8 names) 3-O-(beta-D-glucopyranosyl)-2beta,3beta,20,22R-tetrahydroxy-14alpha,15alpha-epoxy-5beta-cholest-7-en-6-one;3-O-(Rhaa1-2Glcb)-3beta-hydroxy-pregna-5,16-dien-20-one;Simplexin E;(+)-Simplexin E;Caribenol...

DBごとのヒット数: ALL 7 KG 1 KN 1 LM 5

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
C33H52O11	624.35096	1.741	3-O-(beta-D-glucopyranosyl)-2beta,3beta,20,22R-tetrahydroxy-14alpha,15alpha-epoxy-5beta-cholest-7-en-6-one	LipidMAPS: LMST01010432
C33H52O11	624.35096	1.741	3-O-(Rhaa1-2Glcb)-3beta-hydroxy-pregna-5,16-dien-20-one	LipidMAPS: LMST02030217
C33H52O11	624.35096	1.741	Simplexin E	KNApSAcK: C00047572
C33H52O11	624.35096	1.741	Caribenolide I	KEGG: C20007
C33H52O11	624.35096	1.741	(3beta, 5beta)-pregn-16(17)-en-3-ol-20-one 3-O-alpha-l-rhamnopyranosyl-(1-4)-beta-d-glucopyranoside	LipidMAPS: LMST02030244
C33H52O11	624.35096	1.741	(3beta, 5beta)-pregn-16(17)-en-3-ol-20-one 3-O-alpha-l-rhamnopyranosyl-(1-2)-beta-d-glucopyranoside	LipidMAPS: LMST02030245
C33H52O11	624.35096	1.741	3-O-(Rhaa1-4Glcb)-3beta-hydroxy-pregna-5,16-dien-20-one	LipidMAPS: LMST02030218

MSnスペクトル情報

Level: 2, プリカーサーm/z: 625.35767

Splash: splash10-03di-0002900000-59c47783bef8c0b3458c

m/z	Int.	NL	Rel.Int.
463.31	440386	162	1000
319.24	142029	306	322
283.27	26900	342	61

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 2(C-Glu))-B(1OH, 1OMe)	Flavone	Stellarin 2
[Flavone]-A(2OH, 2(C-Glu))-B(1OH, 1OMe)	Flavone	6,8-Di-C-glucopyranosyldiosmetin
[Flavone]-A(2OH, 1(1(O-(E)-Feruloyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-(E)-ferulate
[Flavone]-A(2OH, 1(1(O-Feruloyl)-C-Glu))-B(2OH)	Flavone	2''-O-Feruloylorientin
[Flavone]-A(2OH, 1(1(O-Feruloyl)-C-Glu))-B(2OH)	Flavone	Orientin 6''-O-ferulate
[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	3-substituted Flavone	3,8-Di-C-glucopyranosyldiosmetin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 2OMe)	Flavone	6-C-Glucopyranosyl-8-C-arabinopyranosyltricin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 2OMe)	Flavone	6-C-Arabinopyranosyl-8-C-glucopyranosyltricin

Level: 3, プリカーサーm/z: 463.32770

Splash: splash10-014i-0019000000-882d4171ca99bd4a2555

m/z	Int.	NL	Rel.Int.
319.19	68301	144	1000
283.27	11535	180	168
301.26	9253	162	135
313.31	4586	150	67

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(4OMe)-B(4OMe)	Flavone	Agehoustin A
[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavone	Isoscoparin
[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavone	6-C-beta-D-Glucopyranosyldiosmetin
[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH)	Flavone	Swertiajaponin
[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavone	Scoparin
[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavone	8-C-beta-D-Glucopyranosyldiosmetin
[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH)	Flavone	Parkinsonin A
[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH)	Flavone	Isoswertiajaponin
[Flavonol]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Flavonol	Keyakinin
[Isoflavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Isoflavone	Dalpanitin
[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
[Flavonol]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(2OH)	Flavonol	6-C-Rhamnopyranosylrhamnetin
[Flavonol (3-OMe)]-A(4OMe)-B(3OMe)	Flavonol	Exoticin
[Flavonol (3-OMe)]-A(4OMe)-B(3OMe)	Flavonol	Purpurascenin
[Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl))	Flavan	Kazinol E
[Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl))	Flavan	Kazinol Q
[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
[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Euchrenone b3

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MSnスペクトル情報

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