Hmdb loader
Spectrum Details
HMDB ID:HMDB0000703
Compound Name:Mandelic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC(=O)[C@@H](O)C1=CC=CC=C1
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Mandelic acid GC-MS (TMS_1_2) - 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:C8H8O3
Molecular Weight (Monoisotopic Mass):152.0473 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)[C@@H](O)C1=CC=CC=C1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file405 Bytes
mzML formatted file (MZML)Download file4.37 KB
References
Not Available