CID 131751028

Aflatoxin gm2

Structural Information

Molecular Formula
C17H14O8
SMILES
COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C(=C1)OC5C4(CCO5)O
InChI
InChI=1S/C17H14O8/c1-21-8-6-9-12(17(20)3-5-23-16(17)24-9)13-10(8)7-2-4-22-14(18)11(7)15(19)25-13/h6,16,20H,2-5H2,1H3
InChIKey
OZSVZTQMDLNGFU-UHFFFAOYSA-N
Compound name
3-hydroxy-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,9,11,13(18)-tetraene-17,19-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.06888 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.076156 167.9
[M+Na]+ 369.058098 178.8
[M-H]- 345.061604 177.3
[M+NH4]+ 364.102703 184.9
[M+K]+ 385.032038 180.0
[M+H-H2O]+ 329.066140 164.9
[M+HCOO]- 391.067081 180.5
[M+CH3COO]- 405.082731 180.6
[M+Na-2H]- 367.043546 174.2
[M]+ 346.06833142 175.3
[M]- 346.06942858 175.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.