Skip to main content
. 2019 May 21;24(4):591–606. doi: 10.1007/s00775-019-01665-2

Table 5.

Assignment of (+) mass ions in the ESI mass spectra shown in Fig. S13 compared to calculated mass ions

m/z Assignment Calcd. m/z Assignment Calcd.
{[RuCl(H2biim)(η6-p-cymene)]PF6}2·H2O [(η5-Cp)RhCl(H2biim)]PF6
 288.23 [RuCl(H2biim)H2O]+ 288.93 371.00 [(η5-Cp)Rh(Hbiim)]+ 371.07
 368.99 [Ru(Hbiim)(η6-p-cymene)]+ 368.06 308.04 [GSH+H]+ 308.09
 404.97 [RuCl(H2biim)(η6-p-cymene)]+ 404.03 406.97 [(η5-Cp)RhCl(H2biim)]+ 407.05
 676.02 [Ru(H2biim)(η6-p-cymene)+GS]+ 676.19 544.00 [(η5-Cp)RhCl(H2biim)PF6+Na]+ 544.03
 808.92 [Ru(H2biim)(η6-p-cymene)+GSSGa]+ 808.18 678.03 [(η5-Cp)Rh(H2biim)+GS]+ 678.16
698.01 [(η5-Cp)Rh(H2biim)+GSSGb]+ 698.15
[(η5-Cp)IrCl(H2biim)]PF6 Cisplatin
 308.04 [GSH+H]+ 308.09 288.23 [PtClNH3CH3CN]+ 287.99
 461.05 [(η5-Cp)Ir(Hbiim)]+ 461.13 308.03 [GSH+H]+ 308.09
 497.01 [(η5-Cp)IrCl(H2biim)]+ 497.10 353.19 [GSH+2Na]+ 353.06
 549.66 [(η5-Cp)Ir(H2biim)+GSa]+ 549.13 381.22 [Pt+GSc]+ 381.01
 563.68 [(η5-Cp)Ir(H2biim)+GSb]+ 563.13 554.45 [PtClNH3+GSH]+ 554.04
 768.08 [(η5-Cp)Ir(H2biim)+GS]+ 768.21 711.44 [PtCl+GSSGc]+ 711.03
GSH
 201.94 [GSHd+K]+ 201.99 569.29 [GSSG-CO2+H]+ 569.17
 409.10 [GSSGd-H]+ 409.05 585.23 [GSSG-CO+H]+ 585.16
 531.31 [GSSGe+CH3CN+Na]+ 531.11 779.60 [3GSH-2CO2-2CO+2H]+ 779.30
 553.29 [GSSGf+CH3CN+H]+ 553.14

GSH (glutathione) = C10H17N3O6S; GSH (glutathione fragments) = aC3H3OS; bC3H4NOS; cC7H10N2O2S; dC5H9NO3S; GSSG (glutathione disulfide) = C20H32N6O12S2; GSSG (glutathione disulfide fragments) = aC14H25N5O7S2; bC9H18N4O5S2; cC15H23N5O9S2; dC12H16N4O8S2; eC15H23N4O9S2; fC16H26N5O10S2