Mass Spectrometry: A Foundation Course

Appendix 8: Amino Acid Residue Masses and Modifying Groups

Residue

Code

Elemental compostion

Monoisotopic mass

Average mass

Alanine

A

C 3H 5NO

71.03711

71.0788

Cysteine

C

C 3H 5NOS

103.00919

103.1448

Aspartic acid

D

C 4H 5NO 3

115.02694

115.0886

Glutamic acid

E

C 5H 7NO 3

129.04259

129.1155

Phenylalanine

F

C 9H 9NO

147.06841

147.1766

Glycine

G

C 2H 3NO

57.02146

57.0520

Histidine

H

C 6H 7N 3O

137.05891

137.1412

Isoleucine

I

C 6H 11NO

113.08406

113.1595

Lysine

K

C 6H 12N 2O

128.09496

128.1742

Leucine

L

C 6H 11NO

113.08406

113.1595

Methionine

M

C 5H 9NOS

131.04049

131.1986

Asparagine

N

C 4H 6N 2O 2

114.04293

114.1039

Proline

P

C 5H 7NO

97.05276

97.1167

Glutamine

Q

C 5H 8N 2O 2

128.05858

128.1742

Arginine

R

C 6H 12N 4O

156.10111

156.1876

Serine

S

C 3H 5NO 2

87.03203

87.0782

Threonine

T

C 4H 7NO 2

101.04768

101.1051

Valine

V

C 5H 9NO

99.06841

99.1326

Tryptophan

W

C 11H 10N 2O

186.07931

186.2133

Tyrosine

Y

C 9H 9NO 2

163.06333

163.1760

Modifying group

Elemental composition

Monoisotopic mass

Average mass

Hydrogen

H

1.00782

1.0079

Methyl

CH 3

15.02347

15.0348

Formyl

CHO

29.00274

29.0183

Acetyl

C 2H 3O

43.01839

43.0452

t-Butyl

C 4H 9

57.07042

57.1154

Hydroxyl

HO

17.00274

17.0073

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