Polymer Factory’s new IM-MS-designated tuning and calibration kit is based on hydrophilic dendritic macromolecules that cover the m/z range between 605 and 3,650 and the CCS range of 137 - 1,970 Å2.
 
This mixture of 10 hydrophilic, dendritic components is delivered as a dried down, neat solid. Recommended ESI concentration is 20 µg/mL in polar solvents, such as ethanol, methanol, THF (or their aqueous mixtures), water, aqueous acetonitrile.
 
The 10 components will generate charges states of 1 - 7, covering a m/z range between 605  and 3,650 with CCS values betwen 220 and 1,750 Å2.
This formulation has not been fully characterized and the data is not published yet. This work is in progress. Accordingly, not all dendrimer CCS are available as sodiated ions yet. The gven values are caluclated from Singel Field experiments.
 
Component ID
Chemical Formula
Ion
m/z
DTCCSN2 [Å2]
PFS-2032
C50H84O30
[M+Na]+
1187.494
320.59
PFS-2032
C50H84O30
[M+2H]2+
583.259
355.31
PFS-2032
C50H84O30
[M+2Na]2+
605.242
360.23
PFS-2052
C80H132O50
[M+2H]2+
947.397
439.02
PFS-2052
C80H132O50
[M+2Na]2+
969.379
443.63
PFS-2062
C100H166O61
[M+2H]2+
1173.003
492.61
PFS-2062
C100H166O61
[M+2Na]2+
1194.986
498.51
PFS-2062
C100H166O61
[M+3Na]3+
782.338
529.36
PFS-3052
C180H292O110
[M+2H]2+
2108.873
678.75
PFS-3052
C180H292O110
[M+2Na]2+
2130.856
683.68
PFS-3052
C180H292O110
[M+3H]3+
1406.251
706.34
PFS-3052
C180H292O110
[M+3Na]3+
1428.234
713.08
PFS-3062
C220H358O133
[M+3H]3+
1711.051
791.54
PFS-3062
C220H358O133
[M+3Na]3+
1733.033
799.25
PFS-3062
C220H358O133
[M+4H]4+
1283.540
825.73
PFS-4042
C305H492O184
[M+3H]3+
2368.086
948.05
PFS-4042
C305H492O184
[M+3Na]3+
2390.068
950.93
PFS-4042
C305H492O184
[M+4H]4+
1776.316
975.80
PFS-4042
C305H492O184
[M+4Na]4+
1798.299
981.96
PFS-4042
C305H492O184
[M+5H]5+
1421.254
1186.00
PFS-4052
C380H612O230
[M+4H]4+
2216.166
1095.04
PFS-4052
C380H612O230
[M+4Na]4+
2238.149
1105.45
PFS-4052
C380H612O230
[M+5H]5+
1773.134
1129.14
PFS-4062
C460H742O277
[M+4Na]4+
2699.094
1233.24
PFS-4062
C460H742O277
[M+5H]5+
2141.891
1251.07
PFS-4062
C460H742O277
[M+5Na]5+
2163.873
1258.80
PFS-5042
C625H1004O376
[M+6H]6+
2423.336
1515.24
PFS-5052
C780H1252O470
[M+6H]6+
3025.914
1703.68
PFS-5052
C780H1252O470
[M+7H]7+
2593.784
1732.88
 
Observe that intensities, charge states, H+/Na+ and their distribution can vary depending on the hardware, spraying conditions and tuning.
 
What makes SpheriCal® IM-MS unique and superior to other tuning and calibration mixes?
In contrast to other calibration solutions, we offer our calibrants as solid, neat compound. The material is fully soluble in hydrophilic solvents commonly used in ESI. This includes water, alcohols, aqueous mixtures of alcohols, aqueous ACN.
Our compounds are “non-sticky” in the ion source and will not tail into your data. At the same time, the compatibility with a wide range of spraying solutions and conditions enables internal calibration.
Further, SpheriCal® does not contain any fluorinated components.
With a shelf life of years, we expect the 20 µg portions to enable about 100 calibrations.
SpheriCal® offers reliable and accurate calibration. Thanks to the extended calibration space in the CCS vs m/z plane, there is no need to extrapolate from singly charged molecules with limited molecular masses.
 
In positive mode, our compounds do not need addition of acetic or formic acid and ionize well with traces of Na to yield [M+Na]+. Addition of acid will also yield [M+H]+ in positive mode.
In negative mode, addition of acid is required and yields [M+acid-H]- anions. [M-H]- might also be observed.
This gives full control to the end user to choose concentration, solvent, addition of acid etc.
 
 
The feasabilty on several IM-MS platforms has been studied and published in the Journal of the American Society for Mass Spectrometry
 
 
Related Publications
E.R. Sekera, J. Sommertune et. al.: Utilization of bis-MPA Dendrimers for the Calibration of Ion Mobility Collision Cross Section Calculations, J. Am. Soc. Mass Spectrom. 2024, XXXX, XXX, XXX-XXX
https://pubs.acs.org/doi/10.1021/jasms.3c00428