Peak Info.

Sesame seeds, whole, dried and roasted (black)

pos

Peak #5080 MN MID: SE113_S050182_M90

m/z: 603.14972, RT: 61.59, Int: 32022, log(Int.): 1.16, Adduct: [M+H]+, #Sample shared: 1

DB search result: 8,8'-Paepalantine dimer

Number of candidates found in each DB: ALL 1 KN 1

FlavonoidSearch top score MS2: -, MS3: 0.059

Formula	MW	delta ppm	Candidate name (Shortest name is shown as representative)	Compound IDs
C32H26O12	602.14243	0.027	8,8'-Paepalantine dimer	KNApSAcK: C00034430

MSn Spectra

Level: 2, Precursor m/z: 603.14874

Splash: splash10-03y0-0003980000-d083cfefc097aea3c7d6

m/z	Int.	NL	Rel. Int.
461.18	14489	142	1000
367.16	7044	236	486
539.14	5767	64	398
585.30	4849	18	334
567.25	3357	36	231
449.19	1890	154	130
521.35	1027	82	70

Level: 3, Precursor m/z: 461.17743

Splash: splash10-0002-0000900000-70ba6451602a027e9219

m/z	Int.	NL	Rel. Int.
446.14	13077	15	1000

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.059	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 2(C-Prenyl))	2'-Hydroxychalcone	Sophoradin
0.059	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH, 2(C-Prenyl))	Flavanone	Sophoranone
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OMe)	Flavone	Isoembigenin
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OMe)	Flavone	Embigenin
0.000	[UBR-type derivative / 2',4'-Dioxo-5'-enyl-0-hydroxy-type Chalcone]-A(3(C-Prenyl))-B(1OH)	UBR-type derivative / 2',4'-Dioxo-5'-enyl-0-hydroxy-type Chalcone	Munchiwarin
0.000	[Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavan	Kazinol H

Level: 3, Precursor m/z: 367.15607

Splash: splash10-0f6t-0009000000-681275db2092d4213276

m/z	Int.	NL	Rel. Int.
349.12	1613	18	1000
352.16	1560	15	967
321.08	723	46	448
293.11	505	74	312
307.17	331	60	205
339.21	331	28	205
331.07	200	36	124
335.15	177	32	110
324.02	114	43	70
338.22	103	29	63
334.13	94	33	58

FlavonoidSearch Results

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.381	[Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Barpisoflavone C
0.381	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Isoflavone	3'-Hydroxyalpinumisoflavone 4'-methyl ether
0.368	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavonol	6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether
0.105	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	2'-Hydroxychalcone	Glychalcone A
0.105	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	2'-Hydroxychalcone	6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone
0.105	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	2'-Hydroxychalcone	3,4-Dimethoxylonchocarpin
0.100	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Flavanone	Ponganone III
0.100	[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavanone	Glyflavanone A
0.071	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavone	Racemoflavone
0.071	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavone	5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
0.059	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Pterocarpan	Edulenane
0.050	[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Coumestan	Mirificoumestan
0.050	[Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Coumestan	Puerarostan
0.050	[Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Coumestan	3,9-Dihydroxy-1-methoxy-8-prenylcoumestan
0.050	[Coumestan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Coumestan	Glycyrol
0.000	[2'-Hydroxychalcone]-A(2OH, 1(3-methyl-6-oxo-2-hexenyl))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol C
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	Praecansone B
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Flavanone	O-Methylovaliflavanone C
0.000	[Flavone]-A(2OMe, 1(cis-3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavone	cis-Tephrostachin
0.000	[Flavone]-A(2OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavone	trans-Tephrostachin
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(2OH)	Flavone	Desmodol
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3'-Methoxypongapin
0.000	[Flavonol]-A(2OH, 1Sulfate)-B(1OH)	Flavonol	Kaempferol 8-C-sulfate
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavonol	Vellokaempferol 3-methyl ether
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Isoflavone	Derrubone
0.000	[Pterocarpan]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neorautenanol
0.000	[Coumestan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Coumestan	Isoglycyrol
0.000	[Rotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Rotenone	Pachyrrhizone
0.000	[12a-Hydroxyrotenone (12a-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	12a-Methoxydolineone
0.000	[3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	3-Phenylcoumarin	Neofolin

Peak Information

DB Search Results

MSn Spectra

FlavonoidSearch Results

FlavonoidSearch Results

FlavonoidSearch Results