. Author manuscript; available in PMC: 2013 Feb 6.

Published in final edited form as: J Am Soc Mass Spectrom. 2011 Mar 26;22(5):867–874. doi: 10.1007/s13361-011-0109-9

Table 2.

High Resolution Accurate Mass Measurements of Molecular and Product Ions of 9- and 13-HpODE CE Following Collisional Activation

Proposed Ion Composition	Calculated m/z (m_a)	Measured m/z (m_i) ^a	Δ m_i (ppm) ^b
C₄₅H₈₀NO₄⁺	698.6082	698.6085 ± 0.0006	0.43
C₄₅H₇₈NO₃⁺	680.5976	680.5978 ± 0.0006	0.35
C₄₅H₇₅O₃⁺	663.5711	663.5713 ± 0.0006	0.23
C₄₅H₇₃O₂⁺	645.5605	645.5606 ± 0.0006	0.19
C₃₉H₆₆NO₂⁺	580.5088	580.5087 ± 0.0005	−0.24
C₃₉H₆₃O₂⁺	563.4823	563.4819 ± 0.0004	−0.69
C₃₈H₆₁O₂⁺	549.4666	549.4664 ± 0.0004	−0.42
C₃₆H₆₂NO₂⁺	540.4775	540.4773 ± 0.0004	−0.44
C₃₆H₅₉⁺	491.4611	491.4607 ± 0.0003	−0.79

mean ± standard deviation for 20 measurements

$Δ m_{i} (ppm) = \frac{m_{i} - m_{a}}{m_{a}} \times 10^{6}$