Table 5.
Compound * | Adduct Formula | m/z Exp. | m/z Calc. | Δ (ppm) | |
---|---|---|---|---|---|
1. | [FA hydroxy(15:0)] 2-hydroxy-pentadecanoic acid | [C15H30O3 + 107Ag]+ | 365.12 | 365.12 | 0.0 |
2. | N-palmitoyl proline | [C21H39NO3 + Na]+ | 376.28 | 376.28 | 0.0 |
3. | Galactan | [C14H26O11 + Na]+ | 393.14 | 393.14 | 0.0 |
4. | [PC (6:0)] 1-hexanoyl-sn-glycero3-phosphocholine | [C14H30NO7P + K]+ | 394.14 | 394.14 | 0.0 |
5. | 2-hydroxy-9Z,12Z,15Z-octadecatrienoic acid | [C18H30O3 + 109Ag]+ | 403.12 | 403.12 | 0.0 |
6. | Met-Tyr | [C14H20N2O4S + 107Ag]+ | 419.02 | 419.02 | 0.0 |
7. | [PC (3:0)] 1-(2E-propionyl)sn-glycero-3- phosphocholine | [C11H22NO7P + 109Ag]+ | 420.02 | 420.02 | 0.0 |
8. | S-(2-Chloroacetyl)glutathione | [C12H18N3O7ClS + K]+ | 422.02 | 422.02 | 0.0 |
9. | Val-Gly-Arg | [C13H26N6O4 + 107Ag]+ | 437.11 | 437.11 | 0.0 |
10. | S-Adenosylmethionine | [C15H23N6O5S + K]+ | 438.11 | 438.11 | 0.0 |
11. | Ala-Cys-Gly-Arg | [C14H27N7O5S + K]+ | 444.14 | 444.14 | 0.0 |
12. | Phe-Trp-Gly | [C22H24N4O4 + K]+ | 447.14 | 447.14 | 0.0 |
13. | Asp-Gly-Arg | [C12H22N6O6 + 107Ag]+ | 453.07 | 453.06 | 22.1 |
14. | Ala-Ala-Ala-Asn | [C13H23N5O6 + 109Ag]+ | 454.07 | 454.07 | 0.0 |
15. | Dopaxanthin | [C18H18N2O8 + 107Ag]+ | 497.01 | 497.01 | 0.0 |
[C18H18N2O8 + 109Ag]+ | 499.01 | 499.01 | 0.0 | ||
16. | CPA(18:2(9Z,12Z)/0:0) | [C21H37O6P + 109Ag]+ | 525.14 | 525.14 | 0.0 |
17. | CPA(18:1(11Z)/0:0) | [C21H39O6P + 109Ag]+ | 527.15 | 527.15 | 0.0 |
18. | Ile-Lys-Tyr | [C21H34N4O5 + 107Ag]+ | 529.16 | 529.16 | 0.0 |
19 | PS(17:2(9Z,12Z)/0:0) | [C23H42NO9P + Na]+ | 530.25 | 530.25 | 0.0 |
20. | PA(17:0/0:0) | [C20H41O7P + 107Ag]+ | 531.16 | 531.16 | 0.0 |
21. | Arg-Ile-Ile-Pro | [C23H43N7O5 + K]+ | 536.29 | 536.30 | −18.6 |
22. | PG(12:0/0:0) | [C18H37O9P + 109Ag]+ | 537.12 | 537.12 | 0.0 |
23. | LysoPC(18:4(6Z,9Z,12Z,15Z)) | [C26H46NO7P + Na]+ | 538.29 | 538.29 | 0.0 |
24. | Ala-Glu-Ile-Thr | [C18H32N4O8 + 107Ag]+ | 539.13 | 539.13 | 0.0 |
25. | Asn-Leu-Phe-Phe | [C28H37N5O6 + H]+ | 540.28 | 540.28 | 0.0 |
26. | Ala-Phe-Val-Pro | [C22H32N4O5 + 109Ag]+ | 541.14 | 541.14 | 0.0 |
27. | His-Lys-Val-His | [C23H37N9O5 + Na]+ | 542.28 | 542.28 | 0.0 |
28. | Glu-Glu-Met-Pro | [C20H32N4O9S + K]+ | 543.15 | 543.15 | 0.0 |
29. | PC(O-10:1(9E)/2:0) | [C20H40NO7P + 107Ag]+ | 544.16 | 544.16 | 0.0 |
30. | LysoPA(0:0/18:1(9Z)) | [C21H41O7P + 109Ag]+ | 545.16 | 545.16 | 0.0 |
31. | Asn-Trp-Asp-Pro | [C24H30N6O8 + Na]+ | 553.20 | 553.20 | 0.0 |
32. | Lys-Trp-Gly-Gly | [C21H30N6O5 + 109Ag]+ | 555.13 | 555.13 | 0.0 |
33. | Ala-Cys-Tyr-Tyr | [C24H30N4O7S + K]+ | 557.14 | 557.15 | −17.9 |
34. | Arg-Asn-Asp-Gly | [C16H28N8O8 + 107Ag]+ | 567.11 | 567.11 | 0.0 |
35. | Phe-Thr-Pro-Pro | [C23H32N4O6 + 109Ag]+ | 569.14 | 569.14 | 0.0 |
36. | Thr-Trp-Arg | [C21H31N7O5 + 109Ag]+ | 570.14 | 570.14 | 0.0 |
37. | Ile-Met-Thr-Thr | [C19H36N4O7S + 107Ag]+ | 571.13 | 571.14 | −17.5 |
38. | Cys-Ser-Tyr-Tyr | [C24H30N4O8S + K]+ | 573.14 | 573.14 | 0.0 |
39. | Phe-Gly-Ser-Tyr | [C23H28N4O7 + 109Ag]+ | 581.10 | 581.10 | 0.0 |
40. | Asn-Leu-Asn-Asp | [C18H30N6O9 + 109Ag]+ | 583.11 | 583.11 | 0.0 |
41. | Ala-Phe-Asn-Gln | [C21H30N6O7 + 107Ag]+ | 585.12 | 585.12 | 0.0 |
[C21H30N6O7 + 109Ag]+ | 587.12 | 587.12 | 0.0 | ||
42. | His-Met-Phe-Gly | [C22H30N6O5S + 107Ag]+ | 597.10 | 597.10 | 0.0 |
43. | Arg-Cys-Gln-Ser | [C17H32N8O7S + 107Ag]+ | 599.12 | 599.12 | 0.0 |
[C17H32N8O7S + 109Ag]+ | 601.12 | 601.12 | 0.0 | ||
44. | Cys-Met-Phe-Thr | [C21H32N4O6S2 + 109Ag]+ | 609.08 | 609.08 | 0.0 |
45. | Asp-Met-Thr-His | [C19H30N6O8S + 109Ag]+ | 611.09 | 611.09 | 0.0 |
46. | Ala-Trp-Cys-Gln | [C22H30N6O6S + 107Ag]+ | 613.10 | 613.10 | 0.0 |
[C22H30N6O6S + 109Ag]+ | 615.10 | 615.10 | 0.0 | ||
47. | Asp-Met-Asp-His | [C19H28N6O9S + 107Ag]+ | 623.07 | 623.07 | 0.0 |
48. | Cys-Met-Thr-Tyr | [C21H32N4O7S2 + 109Ag]+ | 625.08 | 625.08 | 0.0 |
49. | Poly-g-D-glutamate | [C20H30N4O12 + 109Ag]+ | 627.09 | 627.09 | 0.0 |
50. | Asn-Met-Met-Gln | [C19H34N6O7S2 + 107Ag]+ | 629.10 | 629.10 | 0.0 |
51. | P-(bromoacetamido)phenyl uridylpyrophosphate | [C17H20BrN3O13P2 + Na]+ | 637.96 | 637.95 | 15.7 |
52. | Asn-Trp-Asp-Cys | [C22H28N6O8S + 107Ag]+ | 643.08 | 643.07 | 15.6 |
53. | TG(12:0/12:0/20:0) | [C47H90O6 + H]+ | 751.68 | 751.68 | 0.0 |
54. | Stigmast-5,22E-dien-3beta-yl (13Z-docosenoate) | [C51H88O2 + Na]+ | 755.67 | 755.67 | 0.0 |
[C51H88O2 + K]+ | 771.64 | 771.64 | 0.0 | ||
55. | PE(15:0/22:0) | [C42H84NO8P + H]+ | 762.60 | 762.60 | 0.0 |
56. | GlcCer(d18:2/21:0) | [C45H85NO8 + H]+ | 768.64 | 768.63 | 13.0 |
57. | PS(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)) | [C43H74NO10P + K]+ | 834.47 | 834.47 | 0.0 |
58. | PG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) | [C44H77O10P + K]+ | 835.48 | 835.49 | −12.0 |
59. | N-(2-hydroxy-eicosanoyl)-1-beta-glucosyl-4E,6E-pentadecasphingadienine | [C41H77NO9 + 109Ag]+ | 836.47 | 836.46 | 12.0 |
60. | PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) | [C46H71O10P + Na]+ | 837.47 | 837.47 | 0.0 |
61. | TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) | [C55H92O6 + H]+ | 849.70 | 849.70 | 0.0 |
62. | [PC (3:0/3:0/3:0)] 1-(2E,6E,10E-phytatrienyl)-2-(2E,6E10E-phytatrienyl)-sn-glycero-3-phosphocholine | [C48H88NO6P + 107Ag]+ | 912.54 | 912.54 | 0.0 |
63. | PG(O-20:0/19:1(9Z)) | [C45H89O9P + 109Ag]+ | 913.53 | 913.53 | 0.0 |
64. | PG(22:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | [C50H85O10P + K]+ | 915.56 | 915.55 | 10.9 |
65. | PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z)) | [C48H86NO7P + 107Ag]+ | 926.51 | 926.52 | −10.8 |
66. | PS(17:0/22:1(11Z)) | [C45H86NO10P + 109Ag]+ | 940.51 | 940.50 | 10.6 |
67. | PIP(16:0/18:0) | [C43H84O16P2 + Na]+ | 941.51 | 941.51 | 0.0 |
68. | LacCer(d18:0/14:0) | [C44H85NO13 + 107Ag]+ | 942.51 | 942.51 | 0.0 |
69. | PI(17:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) | [C44H73O13P + 107Ag]+ | 947.39 | 947.38 | 10.6 |
[C44H73O13P + 109Ag]+ | 949.39 | 949.38 | 10.5 | ||
70. | PS(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | [C48H82NO9P + 107Ag]+ | 954.49 | 954.48 | 10.5 |
[C48H82NO9P + 109Ag]+ | 956.48 | 956.48 | 0.0 | ||
71. | PI(O-16:0/20:2(11Z,14Z)) | [C45H85O12P + 107Ag]+ | 955.49 | 955.48 | 10.5 |
72. | PI(15:0/20:1(11Z)) | [C44H83O13P + 107Ag]+ | 957.47 | 957.46 | 10.4 |
73. | PI(17:1(9Z)/20:3(8Z,11Z,14Z)) | [C46H81O13P + 109Ag]+ | 981.44 | 981.45 | −10.2 |
74. | TG(19:1(9Z)/21:0/21:0) | [C64H122O6 + H]+ | 987.94 | 987.93 | 10.1 |
75. | 5-formyl-tetrahydrosarcinapterin | [C36H52N7O20P + 107Ag]+ | 1040.21 | 1040.21 | 0.0 |
76. | Lipid IVA | [C68H126N2O23P2 + H]+ | 1401.84 | 1401.83 | 7.1 |
77. | Tetrahexosylceramide (d18:1/26:1(17Z)) | [C70H128N2O23 + K]+ | 1403.85 | 1403.85 | 0.0 |
* Putative metabolite.