Electronic Supplementary Material (ESI) for Metallomics
This journal is © The Royal Society of Chemistry 2013
Accurate masses and % abundance of all isotopologues in Figure 3:
[D-methionine+H]+
observed
abundance %
100
7.33
5.07
calculated
abundance %
100
6.78
5.08
observed
m/z
150.05828
151.06124
152.05543
calculated
m/z
150.0583
151.0609
152.0552
difference
(ppm)
-0.133281531
2.250747877
1.512608579
observed
m/z
491.05539
492.05873
493.05626
494.05639
495.05802
calculated
m/z
491.0575
492.0597
493.0596
494.0594
495.061
difference
(ppm)
-4.296849147
-1.971305514
-6.774028941
-6.092384843
-6.019460228
[Pt(C5H11NO2S)(C5H10NO2S)]+
observed
abundance %
87.33
100
96.67
20.4
29.8
calculated
abundance %
86.29
100
87
19.39
27.15
Electronic Supplementary Material (ESI) for Metallomics
This journal is © The Royal Society of Chemistry 2013
Accurate masses and % abundance of all isotopologues in Supplementary information S3:
[D-methionine+H]+
observed
abundance %
100
6.76
3.80
calculated
abundance %
100
6.78
5.08
observed
m/z
150.05818
151.06122
152.05443
calculated
m/z
150.0583
151.0609
152.0552
calculated
abundance %
71.68
73.04
100
47.17
57.54
7.88
15.41
observed calculated
m/z
m/z
320.94159 320.9432
321.94328 321.9453
322.94158 322.9431
323.94185 323.9424
324.94163 324.9435
325.91858 325.9396
326.93919 326.9434
difference
(ppm)
-0.79969
2.118351
-5.06395
[cis-platin+Na]+
observed
abundance %
65.96
61.08
100
42.06
53.88
15.84
16.97
difference
(ppm)
-5.016463972
-6.274357787
-4.706711492
-1.697832701
-5.754846612
-64.49047615
-12.87684657
Electronic Supplementary Material (ESI) for Metallomics
This journal is © The Royal Society of Chemistry 2013
Accurate masses and % abundance of all isotopologues in Supplementary information S4:
[D-methionine+H]+
observed
abundance %
100
10.44
1.66
calculated
abundance %
100
6.78
5.08
observed
m/z
150.05812
151.06058
152.0554
calculated
m/z
150.0583
151.0609
152.0552
difference
(ppm)
-1.199533781
-2.118350943
1.315311808
calculated
abundance %
71.68
73.04
100
47.17
57.54
7.88
15.41
observed
m/z
320.94183
321.94554
322.94167
323.9409
324.94159
325.92485
326.93797
calculated
m/z
320.9432
321.9453
322.9431
323.9424
324.9435
325.9396
326.9434
difference
(ppm)
-4.268668101
0.745468252
-4.428024627
-4.630452821
-5.877944935
-45.25378322
-16.60837931
observed
m/z
395.00775
396.00966
397.00777
398.00778
399.00769
400.00481
401.00706
calculated
m/z
395.0085
396.0107
397.0094
398.0084
399.0102
400.0101
401.0099
difference
(ppm)
-1.898693319
-2.626191666
-4.105696238
-1.557756067
-6.290566006
-13.22466608
-7.082119419
[cis-platin+Na]+
observed
abundance %
65.19
65.01
100
48.76
58.26
12.77
15.51
[Pt(NH3)Cl(C5H11NO2S)]+
observed
abundance %
88.74
100
99.67
45.72
48.39
3.70
7.31
calculated
abundance %
83.33
90.74
100
38.14
45.01
4.44
7.82
Electronic Supplementary Material (ESI) for Metallomics
This journal is © The Royal Society of Chemistry 2013
Accurate masses and % abundance of all isotopologues in Supplementary information S5:
[D-methionine+H]+
observed
abundance %
100
6.62
4.20
calculated
abundance %
100
6.78
5.08
observed
m/z
150.05847
151.06102
152.05519
calculated
m/z
150.0583
151.0609
152.0552
difference
(ppm)
1.132893016
0.794381604
-0.06576559
observed
m/z
491.05454
492.05623
493.06046
494.05043
495.0586
calculated
m/z
491.0575
492.0597
493.0596
494.0594
495.061
difference
(ppm)
-6.027807334
-7.05198983
1.744211045
-18.15571164
-4.847887432
[Pt(C5H11NO2S)(C5H10NO2S)]+
observed
abundance %
78.59
100
59.87
11.01
21.24
calculated
abundance %
86.29
100
87
19.39
27.15