Skip to main content
. Author manuscript; available in PMC: 2021 Jan 1.
Published in final edited form as: Leuk Res. 2019 Nov 6;88:106268. doi: 10.1016/j.leukres.2019.106268

Table 2.

Analytes derived from the T3 peptide that were detected in archived NBS from childhood leukemia cases and controls.

Peptide Median
RT (min)		 MIM
observed
(m/z, 3+)		 MIM
theoretical
(m/z, 3+)		 ΔMass
(ppm)		 Added
mass
(Da)		 Elemental
composition
of added
mass		 Annotation
796.43a,c,d,e 25.67 796.4297 796.4301 −0.50 −45.9876 −CH2S Cys34→Gly
800.43c,d,e 26.75 800.4296 800.4301 −0.62 −33.9879 −SH2 Cys34→Dehydroalanine
805.76a,c,d,e 25.46 805.7615 805.7618 −0.37 −17.9922 −SH2, +O Cys34→Oxoalanine or formylglycine
810.43a 25.73 810.4336 −3.9759 Unknown
811.09a 25.24 811.0872 811.0875 −0.37 −2.0151 −H2 Cys34 Sulfenamide
811.76a,b,c,d,e 26.36 811.7589 811.7594 −0.62 1.0078 +H Unmodified T3f
815.76a 25.61 815.7591 815.7594 −0.37 12.0006 +CH2O, −H2O CH2 crosslink
816.42a,b,c,d,e 23.97 816.4187 816.4191 −0.49 13.9794 −H2, +O Cys34 Sulfinamidef
816.43a,b,c,d,e 26.63 816.4310 816.4312 −0.24 15.0241 +CH3 Methylation (not at Cys34)
819.09a 26.70 819.0870 819.0867 0.37 22.9921 +Na S-Sodiation
820.09a,b,c,e 26.21 820.0911 820.0911 0.00 26.0044 +CN S-Cyanylation
821.75a,b 26.13 821.7504 821.7507 −0.37 30.9823 −H2, +O2 Cys34 Sulfonamide
822.42a,b,c,d,e 25.66 822.4222 822.4226 −0.49 32.9977 +HO2 Cys34 Sulfinic acidf
824.41 25.81 824.4082 38.9557 Unknown
827.09a,b,c 26.05 827.0940 827.0945 −0.60 47.0131 +CH3O2 S-(O)-O-CH3
827.75a,b,c,d,e 25.97 827.7536 827.7543 −0.85 48.9919 +HO3 Cys34 Sulfonic acidf
830.43a,c 25.90 830.4343 830.4348 −0.60 57.0340 +C3H5O Putative S-addition of acrolein
832.43a 26.32 832.4259 832.4262 −0.36 63.0088 +CH3O3 Unknown
835.11a,c,e 26.44 835.1070 835.1066 0.48 71.0521 +C4H7O S-Addition of crotonaldehydef
845.11a 26.05 845.1092 845.1102 −1.18 101.0587 +C5H9O2 Unknown
850.10a,c,d,e 26.59 850.0957 850.0958 −0.12 116.0182 +C4H6NOS S-Addition of hCys (−H2O)
851.43a,b,c,d,e 24.66 851.4269 851.4274 −0.59 120.0118 +C3H6NO2S S-Addition of Cysf
857.44a 26.39 857.4417 857.4419 −0.23 138.0562 +C7H8NO2 Unknown
862.11 26.89 862.1136 152.0719 Unknown
862.77 25.97 862.7735 154.0516 Unknown
870.43a,b,c,d,e 24.14 870.4347 870.4345 0.23 177.0352 +C5H9N2O3S S-Addition of CysGlyf
913.45a,b,c,d,e 24.77 913.4485 913.4487 −0.22 306.0766 +C10H16N3O6S S-Addition of GSHf
918.12a,b 25.14 918.1204 320.0923 Unknown

Cys, cysteine; hCys, homocysteine; CysGly, cysteinylglycine; GSH, glutathione; MIM, monoisotopic mass; RT, retention time.

a

Also detected by Yano et al. 2018.[11]

b

Also detected by Liu et al. 2018.[19]

c

Also detected by Grigoryan et al. 2018.[20]

d

Also detected by Lu et al. 2017.[21]

e

Also detected by Grigoryan et al. 2016.[10]

f

Annotation confirmed with a synthetic standard.