Spinosad impurity b (C41H65NO10)

Structural Information

Molecular Formula

SMILES

CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C(=CC3C2CC(=O)O1)C)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)NC

InChI

InChI=1S/C41H65NO10/c1-10-25-12-11-13-34(52-36-15-14-33(42-6)23(4)48-36)22(3)37(44)32-19-30-28(31(32)20-35(43)50-25)16-21(2)27-17-26(18-29(27)30)51-41-40(47-9)39(46-8)38(45-7)24(5)49-41/h16,19,22-31,33-34,36,38-42H,10-15,17-18,20H2,1-9H3

InChIKey

XZDDTAKXLUVBPD-UHFFFAOYSA-N

Compound name

19-ethyl-4,14-dimethyl-15-[6-methyl-5-(methylamino)oxan-2-yl]oxy-7-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione

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]+	732.468176	273.4
[M+Na]+	754.450118	271.1
[M-H]-	730.453624	281.9
[M+NH4]+	749.494723	270.1
[M+K]+	770.424058	273.1
[M+H-H2O]+	714.458160	271.8
[M+HCOO]-	776.459101	270.6
[M+CH3COO]-	790.474751	292.6
[M+Na-2H]-	752.435566	313.7
[M]+	731.46035142	272.5
[M]-	731.46144858	272.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

732.468176

273.4

[M+Na]+

754.450118

271.1

[M-H]-

730.453624

281.9

[M+NH4]+

749.494723

270.1

[M+K]+

770.424058

273.1

[M+H-H2O]+

714.458160

271.8

[M+HCOO]-

776.459101

270.6

[M+CH3COO]-

790.474751

292.6

[M+Na-2H]-

752.435566

313.7

[M]+

731.46035142

272.5

[M]-

731.46144858

272.5

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

Spinosad impurity b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe