ESI 质谱分析中常见的加合物有哪些？- WKB67428
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环境
- 电喷雾质谱
答案
下表总结了电喷雾质谱分析中的常见加合物离子：
| 正极性加合物 | 质量数差* | 负极性加合物 | 质量数差* |
| M + H | +1.0078 | M - H | -1.0078 |
| M + NH4 | +18.0344 | 2M - H | - |
| M + Na | +22.9898 | M + H2O - H | +17.0027 |
| M + K | +38.9637 | M + CH3OH - H | +31.0184 |
| M + H2O + H | +19.0184 | M + CH3CN - H | +40.0187 |
| M - H2O + H | -17.0027 | M + Cl | +34.9689 |
| M - 2H2O + H | -35.0133 | M + Br | +78.9183 |
| M - H2O + NH4 | +0.0238 | M + HCOO | +44.9977 |
| M + H2O + Na | +41.0003 | M + CH3COO | +59.0133 |
| M + CH3OH + H | +33.0340 | 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 | +42.0344 | M + H2PO4 | +96.9691 |
| M + CH3CN + Na | +64.0163 | M + CF3COO | +112.9850 |
| M + H2O + CH3OH + H | +51.0446 | ||
| 2M + H | - | ||
| 2M + Na | - | ||
| 2M + K | - | ||
| M + Ni | +57.9353 | ||
| M + Mo | +97.9054 | ||
| M + Fe | +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 | +235.9983 | ||
| M + 3CH3HCOO + Ni | +237.9987 | ||
| M + K + CH3OH | +70.9899 |
*使用 Waters MassLynx 的分子量计算器计算的质量数差（单同位素质量数）
附加信息
参考文献：
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.
id67428, isotope, MLYNX, MLYNXV41, SUPMM