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. 2022 Oct 14;3(4):101769. doi: 10.1016/j.xpro.2022.101769

Table 4.

Phospholipid-specific MRM settings

Compound name Q1 Q3 DP EP CE CXP Dwell time (ms) Retention time (min)
LPC(16:0) 554.346 255.233 -80 -10 -50 -10 1 4.1
LPC(16:1) 552.331 253.217 -80 -10 -50 -10 1 3.3
LPC(18:1) 580.362 281.249 -80 -10 -50 -10 1 4.1
PC(14:0-14:0) 736.513 227.202 -80 -10 -50 -10 1 6.1
PC(14:0-16:0) 764.545 227.202 -80 -10 -50 -10 1 6.5
PC(14:0-18:0) 792.576 227.202 -80 -10 -50 -10 1 7.1
PC(16:0-16:0) 792.576 255.233 -80 -10 -50 -10 1 7.0
PC(16:0-18:0) 820.607 255.233 -80 -10 -50 -10 1 7.2
PC(14:0-14:1) 734.498 225.186 -80 -10 -50 -10 1 5.6
PC(14:0-16:1) 762.529 227.202 -80 -10 -50 -10 1 6.1
PC(14:0-18:1) 790.56 281.249 -80 -10 -50 -10 1 6.6
PC(14:1-16:0) 762.529 255.233 -80 -10 -50 -10 1 6.1
PC(14:1-16:1) 760.514 225.186 -80 -10 -50 -10 1 5.5
PC(14:1-18:1) 788.545 281.249 -80 -10 -50 -10 1 5.9
PC(16:0-16:1) 790.56 253.217 -80 -10 -50 -10 1 6.5
PC(16:0-18:1) 818.592 281.249 -80 -10 -50 -10 1 7.1
PC(16:1-18:0) 818.592 253.217 -80 -10 -50 -10 1 7.1
PC(16:1-16:1) 788.545 253.217 -80 -10 -50 -10 1 6.2
PC(16:1-18:1) 816.576 281.249 -80 -10 -50 -10 1 6.7
PC(18:0-18:1) 846.623 281.249 -80 -10 -50 -10 1 7.8
PC(18:1-18:1) 844.607 281.249 -80 -10 -50 -10 1 7.2
LPE(16:1) 450.263 253.217 -80 -10 -50 -10 1 3.3
LPE(18:1) 478.293 281.249 -80 -10 -50 -10 1 4.2
PE(14:0/16:1) 660.461 253.217 -80 -10 -43 -10 1 6.2
PE(14:0/18:1) 688.492 281.249 -80 -10 -43 -10 1 6.6
PE(14:1/18:0) 688.492 283.264 -80 -10 -43 -10 1 5.0
PE(14:1/16:1) 658.446 253.217 -80 -10 -43 -10 1 5.8
PE(14:1/18:1) 686.476 281.249 -80 -10 -43 -10 1 6.1
PE(16:0/16:0) 690.508 255.233 -80 -10 -50 -10 1 6.5
PE(16:0/16:1) 688.492 253.217 -80 -10 -50 -10 1 6.6
PE(16:0/18:1) 716.524 281.249 -80 -10 -50 -10 1 7.2
PE(16:1/18:0) 716.524 283.264 -80 -10 -50 -10 1 6.7
PE(16:1/16:1) 686.476 253.217 -80 -10 -50 -10 1 6.1
PE(16:1/18:1) 714.508 281.249 -80 -10 -50 -10 1 6.6
PE(18:0/18:1) 744.555 281.249 -80 -10 -50 -10 1 7.2
PE(18:1/18:1) 742.539 281.249 -80 -10 -50 -10 1 6.6
PE(O-16:1/16:0) 674.513 253.217 -80 -10 -50 -10 1 6.3
PE(O-16:0/18:1) 702.544 281.249 -80 -10 -50 -10 1 6.9
PE(O-18:0/16:1) 702.544 253.217 -80 -10 -50 -10 1 6.3
PE(O-16:1/16:1) 672.498 253.217 -80 -10 -50 -10 1 5.9
PE(O-18:1/16:1) 700.529 253.217 -80 -10 -50 -10 1 6.3
PE(O-18:1/18:1) 728.561 281.249 -80 -10 -50 -10 1 6.8
PE(P-14:1/16:0) 644.5 255.233 -80 -10 -50 -10 1 4.3
PE(P-16:0/16:1) 672.5 253.217 -80 -10 -50 -10 1 6.0
PE(P-16:0/18:1) 700.5 281.249 -80 -10 -50 -10 1 6.5
PE(P-18:0/16:1) 700.5 253.217 -80 -10 -50 -10 1 6.5
PE(P-18:0/18:1) 728.6 281.249 -80 -10 -50 -10 1 6.9
PI(14:0/14:0) 753.456 227.202 -80 -10 -50 -10 1 5.2
PI(16:0/14:0) 781.487 255.233 -80 -10 -50 -10 1 5.5
PI(14:0/18:0) 809.518 227.202 -80 -10 -50 -10 1 5.8
PI(16:0/16:0) 809.518 255.233 -80 -10 -50 -10 1 5.8
PI(16:0/18:0) 837.55 255.233 -80 -10 -50 -10 1 5.9
PI(18:0/18:0) 865.581 283.264 -80 -10 -50 -10 1 6.3
PI(14:0/14:1) 751.441 227.202 -80 -10 -50 -10 1 5.0
PI(14:0/16:1) 779.472 227.202 -80 -10 -50 -10 1 5.2
PI(14:0/18:1) 807.503 227.202 -80 -10 -50 -10 1 5.5
PI(16:0/14:1) 779.472 255.233 -80 -10 -50 -10 1 5.3
PI(18:0/14:1) 807.503 283.264 -80 -10 -50 -10 1 5.6
PI(16:1/14:1) 777.456 253.217 -80 -10 -50 -10 1 5.0
PI(16:0/16:1) 807.503 255.233 -80 -10 -50 -10 1 5.5
PI(16:0/18:1) 835.534 255.233 -80 -10 -50 -10 1 5.9
PI(18:0/16:1) 835.534 283.264 -80 -10 -50 -10 1 5.9
PI(16:1/16:1) 805.487 253.217 -80 -10 -50 -10 1 5.3
PI(16:1/18:1) 833.518 253.217 -80 -10 -50 -10 1 5.6
PI(18:0/18:1) 863.565 283.264 -80 -10 -50 -10 1 6.3
PI(18:1/18:1) 861.55 281.249 -80 -10 -50 -10 1 5.9
PS(14:0/16:1) 704.451 227.202 -80 -10 -50 -10 1 5.3
PS(14:0/18:1) 732.482 227.202 -80 -10 -50 -10 1 5.6
PS(14:1/18:1) 730.476 225.186 -80 -10 -50 -10 1 5.2
PS(16:0/16:0) 734.498 255.233 -80 -10 -50 -10 1 5.6
PS(16:0/18:0) 762.529 255.233 -80 -10 -50 -10 1 5.9
PS(16:1/14:1) 702.436 253.217 -80 -10 -50 -10 1 5.1
PS(16:0/16:1) 732.482 255.233 -80 -10 -50 -10 1 5.6
PS(16:0/18:1) 760.513 255.233 -80 -10 -50 -10 1 5.9
PS(16:1/18:0) 760.513 253.217 -80 -10 -50 -10 1 5.7
PS(16:1/16:1) 730.476 253.217 -80 -10 -50 -10 1 5.3
PS(16:1/18:1) 758.498 253.217 -80 -10 -50 -10 1 5.6
PS(18:1/18:0) 788.545 281.249 -80 -10 -50 -10 1 6.1
PS(18:1/18:1) 786.529 281.249 -80 -10 -50 -10 1 5.7
PG(16:0/16:1) 719.487 253.217 -80 -10 -50 -10 1 5.6
PG(16:0/18:1) 747.518 281.249 -80 -10 -50 -10 1 5.9
PA(14:0/14:0) 591.403 227.202 -80 -10 -50 -10 1 5.3
PA(16:1/18:0) 673.481 253.217 -80 -10 -50 -10 1 5.9
PA(18:1/18:0) 701.513 281.249 -80 -10 -50 -10 1 6.5
PE(17:0/17:0) 718.57 269.264 -80 -10 -50 -10 1 7.9
PC(17:0-17:0) 820.6 269.2 -80 -10 -50 -10 1 7.8
PS(14:0/14:0) 678.6 227.1 -80 -10 -50 -10 1 5.3
PI(17:0/14:1) 793.49 269.25 -80 -10 -50 -10 1 5.4
PC(15:0-18:1(d7)) 811.592 288.249 -80 -10 -50 -10 1 6.3
PE(15:0/18:1(d7)) 709.524 288.249 -80 -10 -50 -10 1 5.7
PS(18:1(d7)/15:0) 753.531 288.249 -80 -10 -50 -10 1 6.9
PG(15:0/18:1(d7)) 740.518 288.249 -80 -10 -50 -10 1 7.0
PI(18:1(d7)/15:0) 828.534 288.249 -80 -10 -50 -10 1 5.7
PA(18:1(d7)/15:0) 666.481 288.249 -80 -10 -50 -10 1 5.6
LPC18:1(d7) 587.362 288.249 -80 -10 -50 -10 1 4.2
LPE18:1(d7) 485.293 288.249 -80 -10 -50 -10 1 4.3

Note: When the location of fatty acid chains in a phospholipid is known, the fatty acids are separated by “sn-1/sn-2”. For an unknown location, the fatty acids are separated by a “-” (Buré et al., 2013). The alkyl and alkenyl ether phospholipids are denoted by the “O-” and “P-” prefixes.

See also Table S2.