Multi-stage tandem mass spectrometry for protonated glycan isomer assignment

A system comprising:

• at least one processor;
• and
• receiving data indicative of one or more spectra of mass-to-charge ratio (m/z) versus relative abundance of a glycan sample from a mass spectrometer (MS) instrument;
• generating a ratio according to the following Equation:
• a
• a
• +
• b
• wherein a is a magnitude of one or more first peaks in the one or more spectra and b is the magnitude of one or more second peaks in the one or more spectra;
• determining that the ratio is within a range of a predetermined ratio;
• based on determining that the ratio is within the range of the predetermined ratio, determining that a predetermined structural characteristic is present in the glycan sample;
• and
• outputting an indication of the predetermined structural characteristic in the glycan sample.

A system comprising:

• a mass spectrometer (MS) instrument configured to generate data indicative of one or more spectra of mass-to-charge ratio (m/z) versus relative abundance of a glycan sample;
• an output device configured to output a report indicating a predetermined structural characteristic present in the glycan sample;
• and
• a processor configured to:
• generate a ratio according to the following Equation:
• a
• a
• +
• b
• wherein a is a magnitude of one or more first peaks in the one or more spectra and b is the magnitude of one or more second peaks in the one or more spectra;
• determine that the ratio is within a range of a predetermined ratio;
• based on determining that the ratio is within the range of the predetermined ratio, determine that the predetermined structural characteristic is present in the glycan sample.