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Table C.1

Ions displayed in the different spectra with their exact mono-isotopic mass (m0 + Δm).

m0   (u q −1) Δm (10−3 u q −1) ion
13 +02.81 13C+
+07.28 CH+
14 +02.53 N+
+10.63 13CH+
+15.10 CH
15 +10.35 NH+
+18.46 13CH
+22.93 CH
16 –05.63 O+
+18.18 NH
+26.28 13CH
+30.75 CH
17 –01.42 17O+
+02.19 HO+
+26.00 NH
+34.11 13CH
+38.58 CH
18 –01.39 18O+
+06.41 H17O+
+08.47 DO+
+10.02 H2O+
+33.83 NH
m0 (u q−1) Δm (10−3u q−1) ion
19 +06.44 H18O+
+14.23 H2 17O+
+16.29 HDO+
+17.84 H3O+
20 +14.26 H2 18O+
+22.06 H3 17O+
+24.12 H2DO+
21 +22.09 H3 18O+
22 –05.63 CO
23 – 10.78 Na+
24 – 00.55 C
25 +07.28 C2H+
26 +02.53 CN+
+15.10 C2H
27 +10.35 HCN+
+22.93 C2H
28 – 23.62 Si+
– 05.63 CO+
+05.60 N
+18.18 HCNH+
+30.75 C2H
m0   (u q−1) Δm (10−3 u q−1) ion
29 – 15.80 SiH+
+02.19 HCO+
+13.42 N2H+
+38.58 C2H
30 – 02.56 NO+
+10.02 H2CO+
+33.83 CH2NH
+46.40 C2H
31 – 26.79 P+
+05.27 HNO+
+17.84 H2COH+
32 – 28.48 S+
– 10.72 O
+25.67 CH3OH+
+36.90 N2H
33 – 20.65 HS+
– 02.89 HO
+33.49 CH3OH
+44.72 N2H
39 – 36.84 K+
+22.93 C3H

Notes. Near the pixel p0, the difference between two pixels corresponds to ~0.03 × 10−3m0 u q−1 in terms of mass-per-charge ratio in HR. As the HR resolution is >3000 at 1% peakheight, ion species should be separated by at least 10 pixels or ~ 0.33 × 10−3m0 to be resolved if the countsdo not exceed 100 times the noise level, the mass-per-charge separation has to be higher otherwise. First column: commanded mass-per-charge ratio m0 to which ions belong. Second column: algebraic mass-per-charge shift with respect to m0. Third column: the ion species.

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