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. 2019 Dec 30;14(12):e0226834. doi: 10.1371/journal.pone.0226834

Table 3. Peptides identified with liquid chromatography coupled with high resolution mass spectrometry.

Papain, fraction 30–10 kDa
Peptide -10lgP Mass (Da) Length m/z RT Intensity Accession PTM
SEEQQQTEDELQDKIHPFA 82.14 2271.0291 19 1136.524 25.3 9.41E+07 β-casein
DKFLDDDLTDDIM(+15.99) 81.56 1570.6708 13 786.3439 28.5 1.52E+08 α-lactalbumin Oxidation (M)
Q(-17.03)TEDELQDKIHPFAQ 77.76 1780.8268 15 891.421 26.4 3.34E+07 β-casein Pyro-glu (from Q)
DKFLDDDLTDDIMC(+119.00) 76.84 1776.6892 14 889.353 30.8 8.22E+07 α-lactalbumin Cysteinylation
K(+114.04)FLDDDLTDDIM 76.45 1553.6919 12 777.8535 31.5 2.58E+07 α-lactalbumin Ubiquitin
TEDELQDKIHPFA 75.67 1541.7361 13 771.8761 24 1.51E+08 β-casein
KTVDMES(+79.97)TEVFTK 74.74 1593.6997 13 797.8574 21.6 1.48E+07 αS2-casein Phosphorylation (STY)
DKFLDDDLTDDIMC(+305.07)V 74.32 2061.8218 15 1031.928 33.9 2.49E+08 α-lactalbumin Glutathione disulfide
DKFLDDDLTDDIMC(+133.02)V 72.64 1889.7733 15 945.8951 31.5 1.40E+07 α-lactalbumin S-homocysteinylation
EEQQQTEDELQDKIHPFA 70.57 2183.9971 18 1093.007 24.9 6.98E+06 β-casein
DKFLDDDLTDDIMC(+267.03)VK 70.4 2151.8799 16 1076.944 35.1 1.26E+08 α-lactalbumin Nitroso Sulfamethoxazole Sulfinamide thiol adduct
DKFLDDDLTDDIMC(+119.00)VK 70.1 2003.8525 16 1002.935 28.9 3.03E+07 α-lactalbumin Cysteinylation
KFQS(+79.97)EEQQQTEDELQDKIHPF 70.05 2683.1802 21 895.4025 26.7 6.06E+07 β-casein Phosphorylation (STY)
Papain, fraction <5 kDa
Peptide -10lgP Mass (Da) Length m/z RT Intensity Accession PTM
DKFLDDDLTDDIM(+15.99) 85.45 1570.6708 13 786.3438 28.4 6.11E+07 α-lactalbumin Oxidation (M)
Q(-17.03)QQTEDELQDKIHPFA 72.32 1908.8854 16 955.4519 27.1 1.32E+07 β-casein Pyro-glu (from Q)
DKFLDDDLTDDIM 71.94 1554.6759 13 778.3455 31.9 2.61E+07 α-lactalbumin
YPFPGPIHN(+.98)SLPQ 68.73 1466.7194 13 734.3683 28.5 5.21E+07 β-casein Deamidation (NQ)
Q(-17.03)TEDELQDKIHPFAQ 66.45 1780.8268 15 891.4222 26.4 1.55E+07 β-casein Pyro-glu (from Q)
DKFLDDDLTDDIMC(+305.07)V 65.91 2061.8218 15 1031.928 33.9 4.42E+07 α-lactalbumin Glutathione disulfide
DELQDKIHPFA 63.65 1311.6459 11 656.8309 24.1 6.43E+08 β-casein
Q(-17.03)TEDELQDKIHPF 63.5 1581.7311 13 791.8743 27.4 2.86E+07 β-casein Pyro-glu (from Q)
DK(+14.02)FLDDDLTDDIM 62.12 1568.6915 13 785.3544 31.9 6.95E+06 α-lactalbumin Methylation(KR)
KFLDDDLTDDIM(+15.99) 61.63 1455.6439 12 728.8304 27.9 2.25E+07 α-lactalbumin Oxidation (M)
Q(-17.03)TEDELQDKIHPFA 60.21 1652.7682 14 827.3926 27.2 1.40E+08 β-casein Pyro-glu (from Q)
DKFLDDDLTDDIMC(-2.95)V 59.88 1753.808 15 877.9135 29.4 4.20E+06 α-lactalbumin Carbamidomethylated Cys that undergoes beta-elimination and Michael addition of methylamine
KPEDETHLE 59.86 1096.5037 9 549.2592 12.9 1.61E+08 GLYCAM1

-10lgP is a score indicating the quality of the identification, m/z is the mass to charge ratio of the fragmented ion, PTM, Post Translational Modification, indicates the type of modification and amino acid (in brackets) on which the modification occurs.