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Spectrum Details
HMDB ID:HMDB0014780
Compound name:Pemetrexed
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-03e9-1940000000-d4ae1b2367ede6e4bc56
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
Collision Energy:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C20H21N5O6
Molecular Weight (Monoisotopic Mass):427.1492 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file1.17 KB
Peak assignments (TSV)Download file4.14 KB
mzML formatted file (MZML)Download file5.61 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 ]