Table 3 MALDI TOF/TOF fragmentation of C201-containing tryptic peptide NKTEVDIYNSDPLICR (187–202).

From: Free-energy studies reveal a possible mechanism for oxidation-dependent inhibition of MGL

Observed [M+H]+

Modification

y-5 Fragment

Observed m/z fragment

Calculated m/z fragment

Error (ppm)

1879.7920

None

PLICR

601.3415

601.3490

−12.5

1936.8920

CAM

PLICR

658.3679

658.3705

−3.95

2017.9983

DMD

PLICR

739.4206

739.4170

4.87

  1. Related MS/MS spectra are reported in the Supplementary Information (Fig. S2).
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