from the University of Vermont D.E. Matthews' Group:
Useful Sites for Mass Spectrometry & Stable Isotopes
Caveat: The following list is illustrative, not inclusive. Please do not take offense if we have left out a site. If you feel a site should be added, a link has changed or is in error, please let us know. This work is always in progress.
Mascot - mass spectral identification software for protein sequencing from Matrix Science
ProteinProphetTM - open access software that automatically validates protein identifications made on the basis of peptides assigned to MS/MS spectra by database search programs such as SEQUEST and XpressTM that calculates the relative abundance of proteins from LCMS/MS data obtained from ICAT and other labeled reagent experiments - both from the Institute for Systems Biology
A PDF page of the structures of the amino acids in proteins.
Tables in PDF format listing amino acids, their chemical composition, their major fragments and their exact weights for common ions measured by GCMS. The amino acid derivatives and ionization modes presented are:
t-butyldimethylsilyl (TBDMS) by electron impact ionization (EI)
N-heptafluorobutyryl n-propyl (HFBP) by EI
HFBP by negative chemical ionization (NCI)
N-acetyl n-propyl (NAP) by EI
Tables in PDF format listing the theoretical abundances of the [M+1], [M+2], [M+3], ... ions relative to the M ion for common amino acid derivatives and GCMS ionization modes shown above.