Diosmetin 8-c-(2''-rhamnosylglucoside) (C28H32O15)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)CO)O)O)O)O)O

InChI

InChI=1S/C28H32O15/c1-9-20(34)22(36)24(38)28(40-9)43-27-23(37)21(35)17(8-29)42-26(27)19-13(32)6-12(31)18-14(33)7-16(41-25(18)19)10-3-4-15(39-2)11(30)5-10/h3-7,9,17,20-24,26-32,34-38H,8H2,1-2H3

InChIKey

TZPXUQWBAIYNEA-UHFFFAOYSA-N

Compound name

8-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	609.181406	237.0
[M+Na]+	631.163348	241.3
[M-H]-	607.166854	232.8
[M+NH4]+	626.207953	238.6
[M+K]+	647.137288	236.8
[M+H-H2O]+	591.171390	230.1
[M+HCOO]-	653.172331	240.6
[M+CH3COO]-	667.187981	244.6
[M+Na-2H]-	629.148796	260.8
[M]+	608.17358142	247.2
[M]-	608.17467858	247.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

609.181406

237.0

[M+Na]+

631.163348

241.3

[M-H]-

607.166854

232.8

[M+NH4]+

626.207953

238.6

[M+K]+

647.137288

236.8

[M+H-H2O]+

591.171390

230.1

[M+HCOO]-

653.172331

240.6

[M+CH3COO]-

667.187981

244.6

[M+Na-2H]-

629.148796

260.8

[M]+

608.17358142

247.2

[M]-

608.17467858

247.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Diosmetin 8-c-(2''-rhamnosylglucoside)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe