PubChemLite - Agarose (C24H38O19)

Structural Information

Molecular Formula

SMILES

C1C2C(C(O1)C(C(O2)O)O)OC3C(C(C(C(O3)CO)O)OC4C(C5C(C(O4)CO5)OC6C(C(C(C(O6)CO)O)O)O)O)O

InChI

InChI=1S/C24H38O19/c25-1-5-9(27)11(29)12(30)22(38-5)41-17-8-4-36-20(17)15(33)24(40-8)43-18-10(28)6(2-26)39-23(14(18)32)42-16-7-3-35-19(16)13(31)21(34)37-7/h5-34H,1-4H2

InChIKey

MJQHZNBUODTQTK-UHFFFAOYSA-N

Compound name

2-[[3-[2-[(3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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]+	631.20802	236.0
[M+Na]+	653.18996	232.4
[M-H]-	629.19346	228.6
[M+NH4]+	648.23456	235.2
[M+K]+	669.16390	247.0
[M+H-H2O]+	613.19800	238.4
[M+HCOO]-	675.19894	237.0
[M+CH3COO]-	689.21459	241.0
[M+Na-2H]-	651.17541	253.4
[M]+	630.20019	231.2
[M]-	630.20129	231.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

631.20802

236.0

[M+Na]+

653.18996

232.4

[M-H]-

629.19346

228.6

[M+NH4]+

648.23456

235.2

[M+K]+

669.16390

247.0

[M+H-H2O]+

613.19800

238.4

[M+HCOO]-

675.19894

237.0

[M+CH3COO]-

689.21459

241.0

[M+Na-2H]-

651.17541

253.4

[M]+

630.20019

231.2

[M]-

630.20129

231.2

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

Agarose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe