Laminaritetraose sulfate (C24H42O21)

Structural Information

Molecular Formula

SMILES

C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O

InChI

InChI=1S/C24H42O21/c25-1-5-9(29)13(33)14(34)22(40-5)44-19-11(31)7(3-27)42-24(16(19)36)45-20-12(32)8(4-28)41-23(17(20)37)43-18-10(30)6(2-26)39-21(38)15(18)35/h5-38H,1-4H2

InChIKey

OLBQXBHLZOAVSV-UHFFFAOYSA-N

Compound name

4-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-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]+	667.229136	236.6
[M+Na]+	689.211078	235.0
[M-H]-	665.214584	228.7
[M+NH4]+	684.255683	235.4
[M+K]+	705.185018	237.4
[M+H-H2O]+	649.219120	234.8
[M+HCOO]-	711.220061	237.3
[M+CH3COO]-	725.235711	241.4
[M+Na-2H]-	687.196526	262.7
[M]+	666.22131142	230.8
[M]-	666.22240858	230.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

667.229136

236.6

[M+Na]+

689.211078

235.0

[M-H]-

665.214584

228.7

[M+NH4]+

684.255683

235.4

[M+K]+

705.185018

237.4

[M+H-H2O]+

649.219120

234.8

[M+HCOO]-

711.220061

237.3

[M+CH3COO]-

725.235711

241.4

[M+Na-2H]-

687.196526

262.7

[M]+

666.22131142

230.8

[M]-

666.22240858

230.8

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

Laminaritetraose sulfate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe