ピーク情報

細ネギ（若香）地上部

pos

Peak #8472 MN MID: SE201_S11_M90

m/z: 489.28495, RT: 88.44, 強度: 3236, ログ強度: 0.12, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (20 names) Daturolactone 5;(-)-Daturolactone 5;11alpha-O-tigloyl-12beta-O-Acetyltenacigenin B;11beta,17alpha,21-trihydroxypregn-4-ene-3,20-dione 17-butyrate, 21-propionate;Methyl lucidenate L;2,3-Dihydrowithanol...

DBごとのヒット数: ALL 15 KG 1 KN 9 HM 4 LM 1

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
C28H40O7	488.27740	0.552	Daturolactone 5	KNApSAcK: C00049629
C28H40O7	488.27740	0.552	11alpha-O-tigloyl-12beta-O-Acetyltenacigenin B	KNApSAcK: C00035457
C28H40O7	488.27740	0.552	Hydrocortisone butyrate propionate	KEGG: C13358 LipidMAPS: LMST02030128
C28H40O7	488.27740	0.552	Dihydrowithanolide E	HMDB: HMDB0034057 KNApSAcK: C00039032
C28H40O7	488.27740	0.552	Methyl lucidenate L	KNApSAcK: C00051570
C28H40O7	488.27740	0.552	Withaphysacarpin	HMDB: HMDB0033690
C28H40O7	488.27740	0.552	Perulactone B	HMDB: HMDB0030119
C28H40O7	488.27740	0.552	Physacoztolide B	KNApSAcK: C00041761
C28H40O7	488.27740	0.552	Andrastin B	KNApSAcK: C00055071
C28H40O7	488.27740	0.552	Tubocapsanolide D	KNApSAcK: C00040574 LipidMAPS: LMST01160087
C28H40O7	488.27740	0.552	Isocochlioquinone C	KNApSAcK: C00045326
C28H40O7	488.27740	0.552	Philadelphicalactone A	KNApSAcK: C00045006
C28H40O7	488.27740	0.552	14alpha-Hydroxyixocarpanolide	HMDB: HMDB0034334
C28H40O7	488.27740	0.552	(20S,22R)-3a,6a-epoxy-4beta,5beta,27-trihydroxy-1-oxowitha-24-enolide	LipidMAPS: LMST01160025
C29H44O2S2	488.27827	-1.228	2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol	HMDB: HMDB0254375

MSnスペクトル情報

Level: 2, プリカーサーm/z: 489.28485

Splash: splash10-004i-0930500000-14fffe383b095f6926c7

m/z	Int.	NL	Rel.Int.
176.95	631	312	1000
471.38	330	18	522
295.30	190	194	301
277.20	75	212	118
145.03	56	344	87
443.20	44	46	70
453.22	35	36	55
470.72	33	19	51

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: 176.93954

Splash: splash10-0006-0900000000-55f35ba0ed5759b39132

m/z	Int.	NL	Rel.Int.
144.97	326	32	1000

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	FS2	FS3	共有数
	88.50	527.24082	37.9559	-0.04	[M+K]+	(20 names) Daturolactone 5; (-)-Daturolactone 5; 11alpha-O-tigloyl-12beta-O-Acetyltenacigenin B; 11beta,17alpha,21-trihydroxypregn-4-ene-3,20-dione 17-butyrate, 21-propionate; Methyl lucidenate L; 2,3-Dihydrowithanol...	ALL 15 KG 1 KN 9 HM 4 LM 1				1
8472	88.44	489.28495	0.0000	0.12	[M+H]+	(20 names) Daturolactone 5; (-)-Daturolactone 5; 11alpha-O-tigloyl-12beta-O-Acetyltenacigenin B; 11beta,17alpha,21-trihydroxypregn-4-ene-3,20-dione 17-butyrate, 21-propionate; Methyl lucidenate L; 2,3-Dihydrowithanol...	ALL 15 KG 1 KN 9 HM 4 LM 1	MS2 MS3			1

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MSnスペクトル情報

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