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Table 4 Peptide m/z matches obtained via the MSiMass list

From: Moving translational mass spectrometry imaging towards transparent and reproducible data analyses: a case study of an urothelial cancer cohort analyzed in the Galaxy framework

Tentative protein identity

Tentative peptide sequence

Measured m/za

MSiMass list m/z

Mass errora (ppm)

In classifier condition

Collagen alpha-1(1) chain precursor

GVVGLPGQR (hydroxylated)

898.51

898.48

33.40

Stroma

Histone 2A

AGLQFPVGR

944.53

944.54

10.56

Tumor and infiltrating

Keratin, type 1 cytoskeletal 18

STFSTNYR

975.51

975.45

61.52

Non-infiltrating

Heat schock protein beta-1

RVPFSLLR

987.53

987.54

5.09

Tumor

Keratin, type 1 cytoskeletal 19

DAEAWFTSR

1082.59

1082.52

64.63

Non-infiltrating

Collagen alpha-1(1) chain precursor

GVQGPPGPAGPR (hydroxylated)

1105.59

1105.58

13.54

Stroma and non-infiltrating

Keratin, type 1 cytoskeletal 17 or 19b

TKFETEQALR

1222.64

1222.64

0.01

Non-infiltrating

Keratin, type 1 cytoskeletal 16

NHEEEMLALR

1241.70

1241.6

80.50

Stroma

Histone H4

DNIQGITKPAIR

1325.75

1325.72

18.85

Tumor and infiltrating

Glutathione S-transferase P

PPYTVVYFPVR

1337.73

1337.7

22.41

Infiltrating

Keratin, type 2 cytoskeletal 7

SIHFSSPVFTSR Acetyl (Protein N-term)

1406.68

1406.71

24.85

Non-infiltrating

Keratin, type 2 cytoskeletal 6Ac

ADTLTDEINFLR

1407.69

1407.71

14.25

Non-infiltrating

Vimentin

SLYASSPGGVYATR

1428.71

1428.71

0.03

Infiltrating

Collagen alpha-1(1) chain precursor

GSAGPPGATGFPGAGR (hydroxylated)

1459.69

1459.71

13.74

Stroma

Keratin, type 1 cytoskeletal 19

QSSATSSFGGLGGGSVR

1554.74

1554.75

6.44

Non-infiltrating

Collagen alpha-2(1) chain precursor

GETGPSGPVGPAGAVGPR

1562.79

1562.8

6.37

Stroma

  1. aRounded two 2 decimals
  2. bSame peptide shared by two proteins
  3. cPotential isotope of the 1 m/z lighter m/z feature