Table 1.
Compound | Ionic Form | m/z | TIMS Experimental | Reported Ko (cm2/V·s) |
Theoretical CCS (Å2) |
|
---|---|---|---|---|---|---|
Ko (cm2/V·s) |
CCS (Å2) |
|||||
TNT | [M−H]− | 226.010 | 1.48 | 143 | 1.48 | 136 |
RDX+NH4Cl | [M+Cl]− | 257.003 | 1.44 | 147 | 1.44* | 149 |
RDX+NH4NO3 | [M+NO3]− | 284.022 | 1.36 | 154 | 1.35* | 152 |
HMX+NH4Cl | [M+Cl]− | 331.015 | 1.29 | 161 | 1.25 | 162 |
HMX+HCO2 | [M+HCOOH-H]− | 341.044 | 1.28 | 162 | - | 161 |
HMX+NH4C2H3O2 | [M+CH3COOH-H]− | 355.059 | 1.23 | 169 | - | 169 |
HMX+NH4NO3 | [M+NO3]− | 358.034 | 1.23 | 167 | - | 165 |
PETN | [M*]− | 316.013 | 1.37 | 152 | - | 151 |
PETN+NH4Cl | [M+Cl]− | 350.982 | 1.17 | 178 | 1.20 | 182 |
PETN+HCO2 | [M+HCOOH-H]− | 361.011 | 1.14 | 182 | - | 179 |
PETN+NH4NO3 | [M+NO3]− | 378.001 | 1.11 | 187 | 1.14 | 188 |
Literature values used in the TIMS calibration are denoted with *. A Ko error of less than 0.5% was observed in the TIMS replicate measurements.