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]+ 347.07616 167.9
[M+Na]+ 369.05810 178.8
[M-H]- 345.06160 177.3
[M+NH4]+ 364.10270 184.9
[M+K]+ 385.03204 180.0
[M+H-H2O]+ 329.06614 164.9
[M+HCOO]- 391.06708 180.5
[M+CH3COO]- 405.08273 180.6
[M+Na-2H]- 367.04355 174.2
[M]+ 346.06833 175.3
[M]- 346.06943 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.