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What are common adducts in ESI mass spectrometry? - WKB67428

Article number: 67428

ENVIRONMENT

  • Electrospray mass spectrometry

ANSWER

The following table summarizes common adduct ions in electrospray mass spectrometry:

Positive polarity adduct Mass difference* Negative polarity adduct Mass difference*
[M + H]+ +1.0078 [M - H]- -1.0078
[M + NH4]+ +18.0344 [2M - H]- -
[M + Na]+ +22.9898 [M - H + H2O]- +18.0106
[M + K]+ +38.9637 [M - H + CH3OH]- +32.0262
[M + H2O + H]+ +18.0106 [M - H + CH3CN]- +41.0265
[M - H2O + H]+ -17.0027 [M + Cl]- +36.4609
[M - 2H2O + H]+ -35.0133 [M + Br]- +79.9040
[M + NH- H2O]+ +0.0238 [M + HCOO]- +44.9977
[M + Na + H2O]+ +41.0003 [M + CH3COO]- +59.0133
[M + CH3OH + H]+ +32.0262 [M + HCOOH + HCOO]- +91.0031
[M + CH3OH + Na]+ +55.0160 [M + CH3COOH + HCOO]- +105.0188
[M + CH3OH + Na + H2O]+ +73.0265 [M + HCOOH + CH3COO]- +105.0188
[M + CH3OH + K]+  +70.9899 [M + HSO4]- +96.9596
[M + CH3CN + H]+ +41.0265 [M + H2PO4]- +96.9691
[M + CH3CN + Na]+ +63.0085 [M + CF3COO]- +113.0154
[M + H2O + CH3OH + H]+ +50.0368    
[2M + H]+ -    
[2M + Na]+ -    
[2M + K]+ -    
[M + Ni]2+ +57.9353    
[M + Mo]2+ +97.9054    
[M + Fe]2+ +55.9349    
[M + Cu]+ +62.9296    
[M + CO2]+ +43.9898    
[M + CO]+ +27.9949    
[M + SO2]+ +63.9619    
[M + 2CH3CN + H]+ +83.0609    
[M + 2CH3CN + Na]+ +105.0429    
[M + 2CH3CN + Cu]+ +144.9827    
[M + 2CH3CN + Ni]+ +139.9884    
[M + 3CH3CN + Ni]+ +181.0150    
[M + 3CH3HCOO + Fe]2+ +224.0124    
[M + 3CH3HCOO + Ni]2+ +226.0128    
[M + K + CH3OH]+  +70.9899    

*Mass differences calculated using Molecular Weight Calculator in Waters MassLynx (monoisotopic mass)

ADDITIONAL INFORMATION

Bibliography:
1. The HPLC-MS Handbook for Practitioners, edited by Stavros Kromidas, Wiley.
2. "Automated Data Massaging, Interpretation, and E-Mailing Modules for High Throughput Open Access Mass Spectrometry";
Hui Tong, Duncan Bell, Keiko Tabei, and Marshall M. Siegel; Journal of the American Society for Mass Spectrometry; November 1999, Volume 10, Issue 11, pp 1174–1187.
 

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