Spectrum Details
MiMe ID:MMDBc0016197
Compound name:6-aminopenicillanic acid
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-00di-9200000000-7d7718220a18a63d2655
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:Negative
Collision Energy:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C8H12N2O3S
Molecular Weight (Monoisotopic Mass):216.0569 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file235 Bytes
Peak assignments (TSV)Download file563 Bytes
mzML formatted file (MZML)Download file4.34 KB
References
  1. Wang F, Liigand J, Tian S, Arndt D, Greiner R, and Wishart D. CFM-ID 4.0: More Accurate ESI MS/MS Spectral Prediction and Compound Identification. Analytical Chemistry202193 (34), 11692-11700 DOI: 10.1021/acs.analchem.1c01465 [PubMed: 34403256 ]