esi_tof

The observed monoisotopic mass on this record reconciles with the theoretical value to four decimal places, which is the arithmetic the index re-derives in its own build check rather than accepting from the report.

Ion suppression from a co-eluting counter-ion at 3.54 % acetate can shift an apparent mass in a time-of-flight measurement. Desalting the injection before the mass determination removes the possibility.

Ion suppression from a co-eluting counter-ion at 4.25 % acetate can shift an apparent mass in a time-of-flight measurement. Desalting the injection before the mass determination removes the possibility.

Mass, retention and impurity profile all agree on this record. Three independent constraints pointing the same way is the strongest identity evidence the index publishes.

A lock-mass or internal calibrant on the same injection would settle this in one run. Without one, -16.1 ppm is a statement about the instrument's calibration history as much as about the analyte.

Deconvolution over a full charge-state envelope with an internal calibrant is what makes +5.3 ppm mean something. All three conditions look satisfied on this record.

Identity confirmed and purity at 97.98 %. The two answer different questions — what it is, and how much else is in it — and a record carrying both is the version worth citing.

Identity confirmed and purity at 99.51 %. The two answer different questions — what it is, and how much else is in it — and a record carrying both is the version worth citing.

Deconvolution over a full charge-state envelope with an internal calibrant is what makes +3.6 ppm mean something. All three conditions look satisfied on this record.

Deconvolution over a full charge-state envelope with an internal calibrant is what makes -0.1 ppm mean something. All three conditions look satisfied on this record.

No mass accuracy statement means much if the peak top is broad. Resolution and signal-to-noise at this mass are the real constraints and neither is on the certificate.

Identity confirmed, purity 98.94 %, mass balance closed. This record is complete against the index definition of complete and there is nothing outstanding on it.