Kaempferol 3-o-glucosyl-(1->2)-rhamnoside (C27H30O15)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O)O)O

InChI

InChI=1S/C27H30O15/c1-9-17(32)21(36)25(42-26-22(37)20(35)18(33)15(8-28)40-26)27(38-9)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3

InChIKey

BCNBWICEIXAVQF-UHFFFAOYSA-N

Compound name

3-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)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]+	595.165726	234.4
[M+Na]+	617.147668	238.3
[M-H]-	593.151174	229.9
[M+NH4]+	612.192273	235.8
[M+K]+	633.121608	234.4
[M+H-H2O]+	577.155710	227.1
[M+HCOO]-	639.156651	237.8
[M+CH3COO]-	653.172301	241.9
[M+Na-2H]-	615.133116	257.5
[M]+	594.15790142	243.9
[M]-	594.15899858	243.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

595.165726

234.4

[M+Na]+

617.147668

238.3

[M-H]-

593.151174

229.9

[M+NH4]+

612.192273

235.8

[M+K]+

633.121608

234.4

[M+H-H2O]+

577.155710

227.1

[M+HCOO]-

639.156651

237.8

[M+CH3COO]-

653.172301

241.9

[M+Na-2H]-

615.133116

257.5

[M]+

594.15790142

243.9

[M]-

594.15899858

243.9

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

Kaempferol 3-o-glucosyl-(1->2)-rhamnoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe