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. Author manuscript; available in PMC: 2014 Jun 1.
Published in final edited form as: J Mass Spectrom. 2014 Mar;49(3):201–209. doi: 10.1002/jms.3327

Table 2.

High resolution and LIT MSn analysis of the structures of phosphatidylamine isolated from +CFAS L. major

Measured m/z [M - H] Calcd. mass (Da) Deviat. (mDa) Rel. int. (%) Composition a Structures
686.4770 686.4766 0.36 2.53 C37 H69 O8 N P 14:0/18:2; 16:1/16:1
688.4927 688.4923 0.38 2.63 C37 H71 O8 N P 16:0/16:1; 14:0/Δ918:1
698.5134 698.5130 0.37 1.41 C39 H73 O7 N P p16:0/18:2
700.5291 700.5287 0.42 1.06 C39 H75 O7 N P p15:0/19:1
712.5291 712.5287 0.44 2.16 C40 H75 O7 N P p16:0/19:2
714.5084 714.5079 0.49 3.60 C39 H73 O8 N P 16:0/18:2; 18:1/16:1; 14:0/18:2-DMPE
714.5448 714.5443 0.50 13.22 C40 H77 O7 N P p16:0/cPro(9)19:1
716.5240 716.5236 0.38 2.67 C39 H75 O8 N P 16:0/18:1
726.5448 726.5443 0.48 15.45 C41 H77 O7 N P p18:0/Δ9,1218:2; p17:0/cPro(9) Δ1219:2
728.5604 728.5600 0.47 11.54 C41 H79 O7 N P p17:0/cPro(9)19:1; p18:0/Δ918:1; a18:0/Δ9,1218:2; p15:0/19:1-DMPE
730.5398 730.5392 0.56 2.09 C40 H77 O8 N P 16:0/19:1
730.5760 730.5756 0.38 2.24 C41 H81 O7 N P a18:0/18:1
736.4928 736.4923 0.53 1.33 C41 H71 O8 N P 18:3/18:2
738.5084 738.5079 0.49 2.30 C41 H73 O8 N P 18:1/18:3; 18:2/18:2; 16:1/18:3-DMPE; 16:0/20:4
738.5448 738.5443 0.49 2.50 C42 H77 O7 N P p18:1/19:2
740.5241 740.5236 0.51 4.80 C41 H75 O8 N P 18:1/18:2; 18:0/18:3; 16:0/18:3-DMPE; 16:0/20:3
740.5604 740.5600 0.47 16.33 C42 H79 O7 N P p18:0/cPro(9) Δ1219:2; p18:1/cPro(9)19:1
742.5399 742.5392 0.69 9.54 C41 H77 O8 N P 18:0/18:2; 18:1/18:1
742.5759 742.5756 0.24 100.00 C42 H81 O7 N P p18:0/cPro(9)19:1 + p16:0/cPro(9)19:1-DMPE
744.5553 744.5549 0.42 6.61 C41 H79 O8 N P 18:0/18:1
754.5396 754.5392 0.36 1.30 C42 H77 O8 N P 18:2/19:1; 18:1/19:2
754.5761 754.5756 0.44 1.07 C43 H81 O7 N P p18:0/18:2-DMPE
756.5552 756.5549 0.35 2.86 C42 H79 O8 N P 18:1/19:1; 19:0/18:2
756.5916 756.5913 0.32 1.78 C43 H83 O7 N P p18:0/20:1
758.5708 758.5705 0.31 3.56 C42 H81 O8 N P 16:0/19:1-DMPE; 18:0/19:1
a

Unless indicated, the location of cyclopropane and unsaturated bond(s) is not determined.