This application note provides step-by-step procedures for creating and using a mass spectral library with NIST MS Search software.
The document explains that universal liquid chromatography/mass spectrometry libraries do not currently exist due to differences in instrument parameters. It introduces a method for obtaining consistent spectra by tuning instruments to fixed ion ratios rather than specific settings, allowing libraries created on different systems to be compatible.
The guide provides detailed procedures for tuning the Agilent 1100 LC/MSD using an ES Tune Mix (part no. G2421A) across low, mid, and high fragmentation energies. It further details how to convert spectra from the ChemStation into NIST format and append them to a library within the NIST MS Search program for data interpretation.
The Agilent ES Tune Mix (part no. G2421A) was chosen as the tune mixture.
The tune mix must be diluted 1:1 using a mixture of 50% acetonitrile and 50% water.
The ranges are 70-110 V (or 80-180 V) for low energy, 130-170 V (or 210-310 V) for mid energy, and 200-240 V (or 320-400 V) for high energy.