Peak Info.

Sesame seeds, whole, dried and roasted (white)

pos

Peak #1317 MN MID: SE113_S050181_M90

m/z: 602.22813, RT: 28.27, Int: 59596, log(Int.): 1.40, Adduct: [M+NH4]+, #Sample shared: 3

DB search result: (4 names) Bidebiline E;Artabonatine F;Bidebiline D;Bidebiline C

Number of candidates found in each DB: ALL 4 KN 4

FlavonoidSearch top score MS2: -, MS3: -

Formula	MW	delta ppm	Candidate name (Shortest name is shown as representative)	Compound IDs
C36H28O6N2	584.19474	-0.736	Bidebiline E	KNApSAcK: C00038593
C36H28O6N2	584.19474	-0.736	Artabonatine F	KNApSAcK: C00027300
C36H28O6N2	584.19474	-0.736	Bidebiline D	KNApSAcK: C00027192
C36H28O6N2	584.19474	-0.736	Bidebiline C	KNApSAcK: C00027191

MSn Spectra

Level: 2, Precursor m/z: 602.22748

Splash: splash10-0229-0050920000-e71e3332901c72811711

m/z	Int.	NL	Rel. Int.
422.86	4149	179	1000
261.07	2712	341	653
584.69	1054	18	254
422.16	789	180	190
242.97	309	359	74
583.83	287	18	69
210.95	237	391	57

Level: 3, Precursor m/z: 260.97418

Splash: splash10-0006-0090000000-ed7cf8e8f05c94110ef7

m/z	Int.	NL	Rel. Int.
243.06	152	18	1000
210.87	29	50	194

Level: 3, Precursor m/z: 422.80060

Splash: splash10-004i-0090000000-f64473a540d6d43bfe8e

m/z	Int.	NL	Rel. Int.
278.19	3	145	1000

FlavonoidSearch Results

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavonol]-A(2OH, 2(C-Prenyl))-B(1OH)	Flavonol	6,8-Prenylkaempferol
[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Flavonol	Glyasperin A
[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Flavonol	Broussoflavonol F
[Isoflavone]-A(2OH, 2(C-Prenyl))-B(2OH)	Isoflavone	6,8-Diprenylorobol
[Isoflavone]-A(2OH, 2(C-Prenyl))-B(2OH)	Isoflavone	8-Prenylluteone
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavone	Isoangustone A
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavone	Angustone A
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavone	2'-Hydroxyisolupalbigenin
[Flavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavone	Epimedokoreanin B
[Flavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavone	Cudraflavone D
[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Flavanone	Euchrenone a8
[Flavanone]-A(2OH)-B(1OMe, 2(C-Prenyl))	Flavanone	Abyssinone V 4'-methyl ether
[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe, 1(C-Prenyl))	Flavanone	Nimbaflavone
[2'-Hydroxychalcone]-A(2OH, 1OMe, 2(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	5'-Prenylxanthohumol
[Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Pterocarpan	1-Methoxyficifolinol
[Aurone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Aurone	Antiarone A
[Aurone]-A(2OH)-B(2OH, 2(C-Prenyl))	Aurone	Antiarone B
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(3,7-Dimethyl-6-hydroxyocta-2,7-dienyl))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol G
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	2'-Hydroxychalcone	Flemingin C
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	2'-Hydroxychalcone	Flemingin B
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Geranyl)-B(1OH)	2'-Hydroxychalcone	5-Deoxyhomoflemingin
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH)	2'-Hydroxychalcone	Flemingin E
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(3-Hydroxy-4-methyl-4-pentenyl)pyrano)))-B(1OH)	2'-Hydroxychalcone	Flemingin F
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	2'-Hydroxychalcone	Flemiwallichin B
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	2'-Hydroxychalcone	Flemiwallichin A
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(7-Methyl-7-hydroxy-4-propyl-3a,4,5,6,7,7a-hexahydrobenzofurano)))-B(none)	2'-Hydroxychalcone	Linderol A
[Dihydrochalcone alpha-ol]-A(2OH, 1(C-Xylosyl))-B(2OH)	Dihydrochalcone alpha-ol	2',4',3,4,alpha-Pentahydroxydihydrochalcone 3'-C-xyloside
[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(1OH)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone	4-Hydroxyglenoblone
[Flavanone]-A(1OH, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	Alopecurone G
[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH)	Flavanone	Kushenol R
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavanone	Orotinin
[Flavanone]-A(2OH, 1(6-Ethyl-4-hydroxy-5-methyl-2-oxo-2H-pyran-3-yl))-B(none)	Flavanone	Lepidissipyrone
[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH)	Flavanone	Kushenol U
[Flavanone]-A(2OH, 1Methyl)-B(1OH, 1(3-Carboxy-4-hydroxyphenyl))	Flavanone	3'-(3-Carboxy-4-hydroxyphenyl)poriol
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)furano)))-B(1OH)	Flavanone	Lupinenol
[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methyl-2,3-epoxybutyl))-B(1OH)	Flavanone	2''',3'''-Epoxylupinifolin
[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Flavanone	Dereticulatin
[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sigmoidin F
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavanone	Dorsmanin I
[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrestaflavanone C
[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Cudraflavanone A
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavanone	Flemichin D
[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	Flavanone	Kuwanon F
[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	Flavanone	Sanggenon I
[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	Flavanone	Sanggenon N
[Flavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	Flavanone	Kuwanol C
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavanone	Euchrenone a9
[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sanggenol N
[Flavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	Flavanone	Sanggenol L
[Flavanone]-A(2OH)-B(1OH, 1([5,6:@@]-(1,1,3a-Trimethylhexahydro-4-oxa-cyclobuta[cd]indenyl)))	Flavanone	Kuwanon D
[Flavone]-A(1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	Flavone	Enantiomultijugin
[Flavone]-A(2OH)-B(1OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))	Flavone	Yinyanghuo B
[3-substituted Flavone (3-C-Prenyl)]-A(2OH, 1(C-Prenyl))-B(2OH)	3-substituted Flavone	Mulberrin
[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH, 1(C-Prenyl))	3-substituted Flavone	Kuwanon T
[3-substituted Flavone (3-C-Prenyl)]-A(2OH, 1(C-Prenyl))-B(2OH)	3-substituted Flavone	Cudraflavone C
[Flavone]-A(2OH, 1Geranyl)-B(2OH)	Flavone	Albanin E
[Dihydroflavonol]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	3-Hydroxyminimiflorin
[Dihydroflavonol]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	Lupinifolinol
[Flavonol]-A(2OH, 1Geranyl)-B(1OH)	Flavonol	Macarangin
[Flavonol]-A(2OH, 1Geranyl)-B(1OH)	Flavonol	Isomacarangin
[Flavan 3-ol]-A(2OH, 1(3-(4-Hydroxyphenyl)allyl))-B(2OH)	Flavan 3-ol	6-(3-(4-Hydroxyphenyl)allyl)catechin
[Isoflavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(C-Prenyl))	Isoflavone	Lupinisol A
[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Hydroxy-3-methylbutyl))-B(1OH)	Isoflavone	Euchrenone b6
[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Hydroxy-3-methylbutyl))-B(1OH)	Isoflavone	Euchrenone b7
[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Isoflavone	Euchrenone b10
[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1(C-Prenyl))	Isoflavone	Lupinisoflavone G
[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Isoflavone	Senegalensin
[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH, 1(C-Prenyl))	Isoflavone	Lupinisolone A
[Isoflavone]-A(2OH)-B(2OH, 1(C-Prenyl), 1(1,1-Dimethylallyl))	Isoflavone	Fremontone
[Isoflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl))	Isoflavanone	Cajanone
[Isoflavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	Isoflavanone	Lespedeol B
[Isoflavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavanone	2,3-Dihydroauriculatin
[Isoflavan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH, 1OMe)	Isoflavan	Nitidulin
[6-Oxodehydrorotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6-Oxodehydrorotenone	Villosone
[4-Hydroxy-3-phenylcoumarin]-A(2OMe, 1([2,3:@@]-(5-Isopropenylfurano)))-B(1([@@]-Methylenedioxy))	4-Hydroxy-3-phenylcoumarin	Thonningine A
[4-phenylcoumarin]-A(1OH, 1Isovaleryl, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none)	4-phenylcoumarin	1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(3-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one
[4-phenylcoumarin]-A(1OH, 1(2-Methylbutyroyl), 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none)	4-phenylcoumarin	1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(2-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one

Related Peaks

Peak No.	RT (min)	m/z	delta mass	Int. (log)	Adduct	DB Search Results	#Cand.	MSn	#Sample shared
	28.25	623.15761	20.9295	-0.13	[M+K]+	(4 names) Bidebiline E; Artabonatine F; Bidebiline D; Bidebiline C	ALL 4 KN 4		2
	28.27	607.18387	4.9557	0.01	[M+Na]+	(4 names) Bidebiline E; Artabonatine F; Bidebiline D; Bidebiline C	ALL 4 KN 4	MS2 MS3	2
1317	28.27	602.22813	0.0000	1.40	[M+NH4]+	(4 names) Bidebiline E; Artabonatine F; Bidebiline D; Bidebiline C	ALL 4 KN 4	MS2 MS3 x 2	3
	28.27	585.20192	-17.0262	0.75	[M+H]+	(4 names) Bidebiline E; Artabonatine F; Bidebiline D; Bidebiline C	ALL 4 KN 4		2

Peak Information

DB Search Results

MSn Spectra

FlavonoidSearch Results

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