Table 2– Summary of peak assignments of time-of-flight–secondary ion mass spectrometry spectra obtained from exhaled particles
Positive ionsNegative ions
Assignmentm/zAssignmentm/z
PC fragment58.1C16:1253.2
PC fragment86.1C16:0255.2
PC fragment184.1C18:1281.2
PC fragment476.4C18:0283.3
PC fragment478.4PA32:1645.4
Lyso-PC/PC fragment494.3PA32:0647.4
Lyso-PC/PC fragment522.3PG28:1663.4
Lyso-PC/PC fragment524.4PG28:0665.4
PC28:0+H678.5PG32:0671.5
PC30:0+H706.6PA34:1673.5
PC30:0+Na728.5PG32:0721.5
PC32:1+H732.6PG34:1747.5
PC32:0+H734.5PG36:2773.5
PC30:0+K744.5PG36:1775.5
PC32:1+Na754.5PI34:2833.6
PC32:0+Na756.5PI34:1835.6
PC34:1+H760.6PI36:2861.6
PC34:0+H762.6PI36:1863.6
PC32:1+K770.6
PC32:0+K772.5
PC34:1+Na782.5
PC34:0+Na784.5
PC34:1+K798.6
PC34:0+K800.6
  • All mass (m)/charge (z) values correspond to singly charged monoisotopic ions. Molecular species of phospholipids are named x:a, where x is the number of carbons and a is the number of double bonds. Secondary ions are detected as protonated ions [M+H]+, sodiated ions [M+Na]+ and potassiated ions [M+K]+ in positive ionisation mode and deprotonated [M-H]- in negative ionisation mode. PC: phosphatidylcholine; C: free fatty acid; PA: phosphatidic acid; PG: phosphatidylglycerol; PI: phosphatidylinositol.