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. 2020 Jul 27;31(9):1825–1832. doi: 10.1021/jasms.0c00070

Table 1. Twenty-Five Plaque-Specific m/z Species in Both, ldlr–/– and apoe–/–, Mouse Models.

  Pearson correlation coefficient
         
observed m/z by TOF ldlr–/– apoe–/– observed m/z by Orbitrap lipid assignment MS experiment level for ID ion mode mass error (in ppm)
409.3 0.47 0.61 409.2366 [LPA 16:0–H] MS1 NEG +1.3
459.2 0.50 0.46 459.2476 [LPA 18:1+Na]+ MS1 POS –1.3
463.3 0.41 0.54 463.2839 [LPA 20:1–H] MS1 NEG +1.9
464.3 0.44 0.59 464.3142 [LPE O-18:1–H] MS1 NEG –1.0
480.3 0.52 0.62 480.3099 [LPE 18:0–H]/ [LPC 16:0–CH3] MS2 NEG +0.6
482.3 0.55 0.50 482.3600 [LPC O-16:0+H]+/ [LPE O-19:0+H]+ MS1 POS –1.0
487.3 0.47 0.44 487.2790 [LPA 20:1+Na]+ MS1 POS –1.0
496.3 0.58 0.62 496.3398 [LPC 16:0+H]+ MS2 POS +0.0
496.6 0.60 0.49 / / / POS /
506.3 0.43 0.41 506.3257 [LPC 18:1-CH3]/[LPE 20:1-H] MS1 NEG +1.0
510.4 0.59 0.55 510.3554 [LPC 17:0+H]+/[LPE 20:0+H]+ MS1 POS +0.0
518.3 0.59 0.63 518.3216 [LPC 16:0+Na]+ MS2 POS –0.2
520.3 0.63 0.63 520.3400 [LPC 18:2+H]+ MS2 POS +0.4
522.4 0.56 0.59 522.3557 [LPC 18:1+H]+ MS2 POS +0.6
524.4 0.45 0.52 524.3717 [LPC 18:0+H]+ MS2 POS +1.1
534.3 0.57 0.57 534.2951 [LPC 16:0+K]+ MS2 POS –0.9
538.4 0.43 0.53 538.3862 [LPC 19:0+H]+/ [LPE 22:0+H]+ MS1 POS –1.0
542.4 0.58 0.57 542.3213 [LPC 18:2+Na]+ MS1 POS –0.8
544.4 0.59 0.57 544.3389 [LPC 18:1+Na]+ MS2 POS +2.8
546.4 0.56 0.49 546.3540 [LPC 18:0+Na]+ MS2 POS +1.8
560.3 0.49 0.45 560.3123 [LPC 18:1+K]+ MS2 POS +0.0
562.3 0.49 0.49 562.3278 [LPC 18:0+K]+ MS2 POS +0.0
599.3 0.41 0.52 599.3216 [LPI 18:0–H] MS2 NEG +2.4
689.6 0.42 0.53 689.5620 [SM d18:0_16:0-CH3] MS2 NEG +0.7
727.6 0.40 0.44 727.5731 [SM 34:0;2+Na]+ MS2 POS +1.0