Spectrum Details
CDB ID:CDB000280
Compound Name:Malonic acid
Derivative IUPAC Name:3-oxo-3-[(trimethylsilyl)oxy]propanoic acid
Derivative SMILES:C[Si](C)(C)OC(=O)CC(=O)O
Derivative InChIKey:InChIKey=YOPGTPLFLDXOQM-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive
Splash Key:Not Available
Notes:This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification.
Spectrum View
Experimental Conditions
Ionization Mode:Positive
Ionization Energy:70 eV
Chromatography Type:Gas Chromatography Column (GC)
Instrument Type:Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution:0.0001 Da
Molecular Formula:C3H4O4
Molecular Weight (Monoisotopic Mass):104.011 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)CC(=O)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file570 Bytes
mzML formatted file (MZML)Download file4.53 KB
References
Not Available