Annotation Mass Mode Charge Tier H 1.007276 Positive 1 1 2H 2.014552 Positive 2 1 3H 3.021828 Positive 3 1 NH4+ 18.033823 Positive 1 2 Na 22.989218 Positive 1 1 H+Na 23.996494 Positive 2 1 2H+Na 25.003770 Positive 3 1 K 38.963158 Positive 1 2 H+K 39.970434 Positive 2 2 2H+K 40.977710 Positive 3 2 2Na 45.978436 Positive 2 1 H+2Na 46.985712 Positive 3 1 Na+K 61.952376 Positive 2 2 H+Na+K 62.959652 Positive 3 2 3Na 68.967654 Positive 3 1 2K 77.926316 Positive 2 2 H+2K 78.933592 Positive 3 2 2Na+K 84.941594 Positive 3 2 Na+2K 100.915534 Positive 3 2 3K 116.889474 Positive 3 2 H -1.007276 Negative -1 1 Cl- 34.969402 Negative -1 1 COOH- 44.998201 Negative -1 1 H2O+CO -46.005479 Both 0 1 NH3+H2O -35.037114 Both 0 1 H2O -18.010565 Both 0 1 NH3 -17.026549 Both 0 1 Na-H 21.981945 Both 0 1 MeOH 32.026215 Both 0 1 K-H 37.955882 Both 0 1 Acetonitrile 41.026549 Both 0 1 2Na-2H 43.963890 Both 0 1 HCOOH 46.005479 Both 0 1 NaCl 57.958622 Both 0 1 3Na-3H 65.945835 Both 0 1 NaCOOH 67.987424 Both 0 1 KCOOH 83.961361 Both 0 1 NaCOOH +Na-H 89.969369 Both 0 1 HCOOH + NaCOOH 113.992903 Both 0 1 2X NaCl 115.917245 Both 0 1 NaCl + NaCOOH 125.946046 Both 0 1 2X NaCOOH 135.974848 Both 0 1