ピーク情報

細ネギ（若香）地下部

pos

Peak #4686 MN MID: SE201_S21_M90

m/z: 885.48718, RT: 48.55, 強度: 311342, ログ強度: 1.91, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (31 names) PGP(18:1(12Z)-2OH(9,10)/18:2(9Z,12Z));PGP(18:2(9Z,12Z)/18:1(12Z)-2OH(9,10));PGP(18:1(12Z)-2OH(9,10)/18:2(9Z,11Z));PGP(20:3(8Z,11Z,14Z)-2OH(5,6)/i-16:0);PGP(16:0/20:3(8Z,11Z,14Z)-2OH(5,6));PGP(i-16:0/2...

DBごとのヒット数: ALL 25 KG 2 KN 10 HM 12 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: -

DB検索結果

ppm

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
C42H78O15P2	884.48160	-1.913	PGP(18:1(12Z)-2OH(9,10)/18:2(9Z,12Z))	HMDB: HMDB0272970
C42H78O15P2	884.48160	-1.913	PGP(18:2(9Z,12Z)/18:1(12Z)-2OH(9,10))	HMDB: HMDB0272969
C42H78O15P2	884.48160	-1.913	PGP(18:1(12Z)-2OH(9,10)/18:2(9Z,11Z))	HMDB: HMDB0272866
C42H78O15P2	884.48160	-1.913	PGP(20:3(8Z,11Z,14Z)-2OH(5,6)/i-16:0)	HMDB: HMDB0275243
C42H78O15P2	884.48160	-1.913	PGP(16:0/20:3(8Z,11Z,14Z)-2OH(5,6))	HMDB: HMDB0272334
C42H78O15P2	884.48160	-1.913	PGP(i-16:0/20:3(8Z,11Z,14Z)-2OH(5,6))	HMDB: HMDB0275242
C42H78O15P2	884.48160	-1.913	PGP(20:3(8Z,11Z,14Z)-2OH(5,6)/16:0)	HMDB: HMDB0272335
C42H78O15P2	884.48160	-1.913	PGP(18:2(9Z,11Z)/18:1(12Z)-2OH(9,10))	HMDB: HMDB0272865
C45H72O17	884.47695	3.341	Spiroconazole A	KNApSAcK: C00032184
C45H72O17	884.47695	3.341	Polypodoside A	HMDB: HMDB0034053
C45H72O17	884.47695	3.341	Shatavarin VII	KNApSAcK: C00034245
C45H72O17	884.47695	3.341	Balanitin 3	KNApSAcK: C00054911
C45H72O17	884.47695	3.341	beta-Chacotriosyllilagen	HMDB: HMDB0035491 KNApSAcK: C00054919
C45H72O17	884.47695	3.341	Melongoside H	HMDB: HMDB0040497
C45H72O17	884.47695	3.341	Gracillin	HMDB: HMDB0252931 KEGG: C08901 KNApSAcK: C00003579 LipidMAPS: LMST01080057
C45H72O17	884.47695	3.341	Anguivioside A	KNApSAcK: C00032707
C45H72O17	884.47695	3.341	Diosgenin 3-[glucosyl-(1->4)-rhamnosyl-(1->4)-glucoside]	HMDB: HMDB0040535
C45H72O17	884.47695	3.341	Lyconoside II	KNApSAcK: C00034040
C45H72O17	884.47695	3.341	Deltonin	HMDB: HMDB0029311 KEGG: C08894 KNApSAcK: C00003571, C00054914 LipidMAPS: LMST01080090
C45H72O17	884.47695	3.341	Dioseptemloside E	KNApSAcK: C00033782, C00033784
C45H72O17	884.47695	3.341	Graecunin G	HMDB: HMDB0039514
C45H72O17	884.47695	3.341	3-O-(Rhaa1-2Glcb)-26-O-(Glcb)-(25R)-furosta-5,20(22)-dien-3beta,26-diol	LipidMAPS: LMST01070008
C45H72O17	884.47695	3.341	Orbiculatoside B	KNApSAcK: C00032096
C45H72O17	884.47695	3.341	Mubenoside A	KNApSAcK: C00051647
C45H72O17	884.47695	3.341	Pennogenin 3-O-beta-chacotrioside	KNApSAcK: C00048504

MSnスペクトル情報

Level: 2, プリカーサーm/z: 885.48651

Splash: splash10-00di-0010220900-dc7bd90fb8c8bc9793e4

m/z	Int.	NL	Rel.Int.
723.37	33055	162	1000
415.38	8633	470	261
577.34	5714	308	172
271.26	4130	614	124
579.32	2968	306	89
253.22	2803	632	84
397.34	2575	488	77

Level: 3, プリカーサーm/z: 415.33295

Splash: splash10-00di-0090000000-23cd4316773702031c02

m/z	Int.	NL	Rel.Int.
271.18	5234	144	1000
253.29	1073	162	205
283.40	292	132	55

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone
[Flavanone]-A(2OH, 1(C-Prenyl))-B(3OMe)	Flavanone	Heteroflavanone C
[Flavanone]-A(2OH, 1(C-Prenyl), 1(2-Hydroxyethyl))-B(1OH, 1OMe)	Flavanone	Laxiflorin
[Flavanone]-A(2OH, 1(1(O-Acetyl)-(E)-4-Hydroxyprenyl))-B(2OH)	Flavanone	Kanzonol S
[Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(1OH)	Flavone	3'-Deoxyderhamnosylmaysin
[Flavone]-A(1OH, 1([2,3:@@]-(8,9-Dihydroxy-7-hydroxymethyl-1,6-dioxaspiro[4,4]non-2-ene)))-B(1OH)	Flavone	Pinnatifinoside A
[Flavone]-A(1OH, 1OMe, 1(C-Digitoxopyranosyl))-B(1OH)	Flavone	Aciculatin
[Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(1OH)	Flavone	6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)apigenin
[4-substituted Flavan 3-ol (4-(2,4,6-Trihydroxyphenyl))]-A(2OH)-B(2OH)	4-substituted Flavan 3-ol	Prodelphinidin B6
[12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(1OH, 1OMe)	12a-Hydroxyrotenone	Volubinol

Level: 3, プリカーサーm/z: 723.33307

Splash: splash10-0fmi-0091020000-2b40e1d2605814c41737

m/z	Int.	NL	Rel.Int.
271.25	2667	452	1000
253.16	2155	470	808
579.13	1514	144	567
255.28	595	468	223
415.25	554	308	207
397.48	293	326	109
379.41	283	344	106
381.37	222	342	83
290.90	190	432	71
361.43	175	362	65
705.22	134	18	50

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MSnスペクトル情報

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