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Mass spectrometry tables

 

When working with mass spectrometry, particularly ms/ms spectra, a number of tables are essential in order to understand these.

A number of tables can be downloaded through this page:

General mass table (elemental mass values, amino acid residues and immonium ions). Word, pdf

Amino acid residue and fragment ion mass values. Word, pdf.

Monoisotopic peptide residue values up to 300 Da. Word, pdf.

a2-b2 ion pairs (integer values, Cys as carbamido). Word, pdf. With decimals, free Cys. Word, pdf.

Spreadsheet containing most of the above tables. Excel.

Amino acid residue and fragment ion mass values

mass of yn-1 ions = y ion

Residue

3-letter

1-letter

Mass

b1 ion

y1 ion

bn-1 ion

Alanine

Ala

A

71.0371

72.0444

90.055

89.0477

Cysteine

Cys

C

102.0014

103.0086

121.0192

120.0120

Asp. acid

Asp

D

115.0269

116.0342

134.0448

133.0375

Glu. acid

Glu

E

129.0426

130.0499

148.0604

147.0532

Phenylalanine

Phe

F

147.0684

148.0757

166.0863

165.0790

Glycine

Gly

G

57.0215

58.0287

76.0393

75.0321

Histidine

His

H

137.0589

138.0662

156.0768

155.0695

Isoleucine

Ile

I

113.0841

114.0913

132.1019

131.0947

Lysine

Lys

K

128.095

129.1022

147.1128

146.1506

Leucine

Leu

L

113.0841

114.0913

132.1019

131.0947

Methionine

Met

M

131.0405

132.0478

150.0583

149.0511

Asparagine

Asn

N

114.0429

115.0502

133.0608

132.0535

Proline

Pro

P

97.0528

98.06

116.0706

115.0634

Glutamine

Gln

Q

128.0586

129.0659

147.0764

146.0692

Arginine

Arg

R

156.1011

157.1084

175.119

174.1117

Serine

Ser

S

87.032

88.0393

106.0499

105.0426

Threonine

Thr

T

101.0477

102.055

120.0655

119.0583

Valine

Val

V

99.0684

100.0757

118.0863

117.079

Tryptophan

Trp

W

186.0793

187.0866

205.0972

204.0899

Tyrosine

Tyr

Y

163.0633

164.0706

182.0812

181.0739

Site last updated: May 07, 2017

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