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. Author manuscript; available in PMC: 2019 Sep 1.
Published in final edited form as: Anal Bioanal Chem. 2018 Aug 3;410(23):6009–6029. doi: 10.1007/s00216-018-1222-4

Table 1.

Mass spectrometry parameters, MRM transitions, diagnostic ions, and retention times of targeted oxylipins and matching internal standards

Compound Retention time (min) MRM transition Qualitative diagnostic ions DP CE CXP IS
Q1 Q3
9-HODE 21.30 295.2 170.9 207, 277 −130 −24 −17 13-HODE-d4
13-HODE 21.30 295.2 195.0 113, 277 −140 −30 −0 13-HODE-d4
9-oxoODE 23.89 293.2 185.1 125, 149 −110 −28 −15 15-HETE-d8
13-oxoODE 23.41 293.2 195.1 113, 177 −120 −28 −13 15-HETE-d8
9,10-EpOME 25.97 295.2 171.1 125, 183 −100 −22 −13 15-HETE-d8
12,13-EPOME 25.81 295.2 195.0 113, 183 −65 −26 −9 15-HETE-d8
9,10-DiHOME 14.49 313.2 201.1 125, 171 −140 −28 −17 LTB4-d4
12,13-DiHOME 14.17 313.2 183.1 129, 195 −115 −28 −13 LTB4-d4
9,12,13-TriHOME 6.64 329.2 211.1 119, 229 −90 −30 −11 LXA4-d5
9,10,13-TriHOME 6.86 329.2 171.0 127, 139 −100 −30 −13 LXA4-d5
9,10,11-TriHOME 8.59 329.2 201.1 139, 171 −50 −30 −11 LXA4-d5
9-HOTrE 17.59 293.2 171.1 185, 277 −105 −22 −11 13-HODE-d4
13-HOTrE 18.24 293.2 195.0 205, 277 −80 −24 −15 13-HODE-d4
PGE2 7.49 351.2 271.2 189,217 −15 −24 −15 PGE2-d4
PGF2α 6.68 353.2 193.0 165, 247 −50 −34 −13 LXA4-d5
8-IsoPGF2α 5.76 353.2 193.0 165, 247 −50 −34 −13 LXA4-d5
TXB2 5.81 369.2 169.1 177, 195 −100 −15 −15 TXB2-d4
LTB4 12.81 335.2 194.9 123, 151 −60 −22 −15 LTB4-d4
LXA4 8.60 351.2 114.9 217, 235 −70 −20 −9 LXA4-d5
LXB4 7.33 351.2 221.1 189,233 −90 −22 −25 LXA4-d5
5-HETE 23.26 319.2 115.0 161,203 −75 −18 −9 5-HETE-d8
8-HETE 23.20 319.2 155.0 163, 257 −80 −20 −11 15-HETE-d8
9-HETE 23.46 319.2 123.0 167, 179 −85 −22 −11 15-HETE-d8
11-HETE 23.09 319.1 167.2 149, 195 −65 −22 −11 15-HETE-d8
12-HETE 23.63 319.2 135.0 163, 179 −85 −20 −17 15-HETE-d8
15-HETE 22.41 319.2 219.1 175, 203 −75 −18 −17 15-HETE-d8
20-HETE 18.77 319.2 245.1 163, 289 −115 −20 −23 15-HETE-d8
5-oxoETE 25.19 317.2 203.2 163, 175 −90 −24 −15 15-HETE-d8
5,6-EET 26.18 319.2 191.2 115, 163 −25 −16 −13 5,6-EET-d11
8.9-EET 26.66 319.2 155.0 123, 179 −95 −16 −11 15-HETE-d8
11,12-EET 26.62 319.2 208.0 167, 179 −105 −20 −15 15-HETE-d8
14,15-EET 25.96 319.2 219.1 113, 175 −90 −16 −15 14,15-EET-d11
18-HEPE 18.07 317.2 259.1 161,215 −70 −16 −21 13-HODE-d4
14,15-EEQ 24.12 317.2 207.0 163, 175 −75 −18 −19 15-HETE-d8
17,18-EEQ 23.14 317.1 215.2 201, 259 −90 −14 −17 15-HETE-d8
4-HDHA 23.42 343.2 101.0 133, 241 −95 −18 −7 15-HETE-d8
7-HDHA 22.79 343.2 141.1 113, 201 −70 −18 −11 15-HETE-d8
10-HDHA 22.71 343.2 153.1 161,261 −95 −22 −17 15-HETE-d8
14-HDHA 22.96 343.2 205.1 161,233 −85 −16 −17 15-HETE-d8
17-HDHA 22.45 343.2 245.1 147, 201 −85 −20 −15 15-HETE-d8
PDX (10S,17S-DiHDHA) 12.86 359.1 153.0 137, 261 −90 −22 −13 LTB4-d4
PD1/NPD1 12.47 359.2 153.0 137, 261 −115 −20 −13 LTB4-d4
MaR1 12.58 359.2 250.1 177, 221 −90 −20 −19 LTB4-d4
RvD1 8.95 375.2 215.1 141, 233 −70 −26 −15 LXA4-d5
RvD2 7.75 375.2 141.0 175, 215 −70 −26 −15 LXA4-d5
RvD3 7.28 375.3 147.1 137, 181 −145 −26 −39 LXA4-d5
RvD4 10.06 375.3 101.0 225, 131 −75 −28 −9 LXA4-d5
16,17-EDP 25.96 343.2 245.2 147, 201 −100 −15 −15 15-HETE-d8
19,20-EDP 25.30 343.2 241.2 133, 187 −115 −16 −15 15-HETE-d8
11-H-9-E-LA 1 (3c) 14.61 311.2 201.1 −90 −24 −29
11-H-9-E-LA2 (3d) 15.41 311.2 201.1 171, 185 −90 −24 −29 LTB4-d4
13-H-9-E-LA 14.21 311.2 171.0 139,211 −90 −28 −15 LTB4-d4
9-H-12-E-LA 14.52 311.2 193.0 171,211 −110 −24 −13 LTB4-d4
11-H-12-E-LA 1 (3 g) 14.81 311.2 197.1 −80 −24 −15
11-H-12-E-LA 2 (3 h) 15.46 311.2 197.1 181,211 −90 −26 −15 LTB4-d4
11-K-9-E-LA 1 (3n) 19.85 309.1 185.1 −60 −22 −9
11-K-9-E-LA2 (3o) 22.14 309.1 185.1 155, 171 −140 −22 −9 13-HODE-d4
11-K-9-E-LA3 (3p) 22.96 309.1 185.1 −150 −22 −9
13-K-9-E-LA 1 (3 l) 19.21 309.1 171.1 −150 −22 −15
13-K-9-E-LA 2 (3 m) 20.18 309.1 171.1 137, 155 −150 −22 −15 13-HODE-d4
9-K-12-E-LA 18.49 309.1 209.2 165, 193 −70 −26 −15 13-HODE-d4
11-K-12-E-LA 1 (3r) 19.51 309.1 181.2 −80 −28 −9
11-K-12-E-LA 2 (3 s) 21.67 309.1 181.2 151,209 −150 −21 −9 13-HODE-d4
11-K-12-E-LA 3 (3 t) 22.53 309.1 181.2 −140 −22 −9
13-HODE-d4 21.25 299.2 198.0 198 −120 −26 −15
PGE2-d4 7.40 355.2 275.3 275 −75 −24 −23
TXB2-d4 5.71 373.2 173.0 173 −85 −22 −11
LTB4-d4 12.71 339.2 197.0 197 −140 −22 −15
5-HETE-d8 23.16 327.2 116.0 116 −70 −18 −15
15-HETE-d8 22.31 327.2 226.1 226 −30 −18 −17
LXA4-d5 8.50 356.0 115.1 115 −70 −20 −9
14,15-EET-d11 25.90 330.3 219.2 219 −100 −15 −15
5,6-EET-d11 26.10 330.3 202.2 202 −100 −15 −15

DP, declustering potential; CE, collision energies; CXP, collision cell exit potential; IS, internal standard