The application uses the amino acid symbols and mass values listed in the following tables.

Amino acid mass values

Amino acid

One-letter
code

Three-letter
code

Monoisotopic
mass

Average
mass

Sum
formula

Glycine

G

Gly

  57.02146

  57.05177

C2H3NO

Alanine

A

Ala

  71.03711

  71.07855

C3H5NO

Serine

S

Ser

  87.03203

  87.07796

C3H5NO2

Proline

P

Pro

  97.05276

  97.11623

C5H7NO

Valine

V

Val

  99.06841

  99.13211

C5H9NO

Threonine

T

Thr

101.04768

101.10474

C4H7NO2

Cysteine

C

Cys

103.00918

103.14464

C3H5NOS

Isoleucine

I

Ile

113.08406

113.15890

C6H11NO

Generic Leu/lle

J

Jli

113.08406

113.15890

C6H11NO

Leucine

L

Leu

113.08406

113.15890

C6H11NO

Asparagine

N

Asn

114.04293

114.10354

C4H6N2O2

Aspartic Acid

D

Asp

115.02694

115.08826

C4H5NO3

Glutamine

Q

Gln

128.05858

128.13032

C5H8N2O2

Lysine

K

Lys

128.09496

128.17358

C6H12N2O

Glutamic Acid

E

Glu

129.04259

129.11504

C5H7NO3

Methionine

M

Met

131.04048

131.19820

C5H9NOS

Histidine

H

His

137.05891

137.14062

C6H7N3O

Phenylalanine

F

Phe

147.06841

147.17571

C9H9NO

Arginine

R

Arg

156.10111

156.18707

C6H12N4O

Tyrosine

Y

Tyr

163.06333

163.17512

C9H9NO2

Tryptophan

W

Trp

186.07931

186.21220

C11H10N2O

Special amino acids

Amino acid

One-letter
code

Three-letter
code

Monoisotopic
mass

Average

mass

Sum
formula

Avrg. N/D

B

Bnd

114.53494

114.59590

 

Avrg. Q/E

Z

Zqe

128.55059

128.62326

 

Unknown acid (X)

X

Xxx

0

0

N/A

Pyrrolysine

O

Pyl

237.14773

237.29874

C12H19N3O2

Seleno Cysteine

U

Sec

150.95364

150.0369

C3H5NOSe