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Table 2 Modifications and spectral pairs found in data set 2.

From: Efficient discovery of abundant post-translational modifications and spectral pairs using peptide mass and retention time differences

Δm

ΔRt

# of spectral pairs (pp> 0.98)

Modification type

Theoretical mass

Unimod AC #

Mean

± 3Sigma

Mean

± 3Sigma

    

53.9177

± 0.0180

-15.3

± 222.3

5236

Cation:Fe(II)

53.9193

None

15.9942

± 0.0090

-685.3

± 762.3

4613

Oxidation

15.9949

35

0.9959

± 0.0395

47.4

± 254.9

305

Amidation/Deamidation

0.9840

2/7

18.01

N/A

N/A

N/A

N/A

Water-loss/Glu → pyro-Glu*

18.0106

23/27

57.02

N/A

N/A

N/A

N/A

Carbamidomethylation*

57.0215

4

  1. *Those modifications are found from the 1-D Δm histogram and manually validated by 2-D <Δm, ΔRt> histogram, but the data points for them are too few to effectively estimate their Δm and ΔRt distributions.