Table 1.
Putative compound name | ratio pNZ7026/pNZ7021 | apparent mass [M+H]+ | Ppm Δ mass |
---|---|---|---|
10-formyl folate | 117.2 | 470.1431 | 2.6 |
10-formyl folate isomer | 33.6 | 470.1493 | 15.8 |
Novel C17H14O3 | 20.4 | 267.1007 | -5.3 |
Novel folate C24H23N7O5 | 19.4 | 490.1796 | -7.9 |
1-[(2-methoxyphenyl)methyl]-5-nitro-2H-indazol-3-one | 11.6 | 300.1000 | 7.1 |
C20H22N5O2S | 5.7 | 396.1491 | 0.3 |
Unidentified | 5.7 | 728.2331 | |
2-amino-1,4-dihydro-4-oxo-6-pteridinecarboxylic methyl ester | 4.9 | 222.0674 | 23.5 |
Unidentified | 3.8 | 254.0952 | |
Adenosine | 2.8 | 268.1066 | -2.8 |
C18H32O16 | 2.6 | 505.1852 | 17.4 |
5-methylthioadenosine | 2.4 | 298.1034 | 10.9 |
C4H10N4OS | 2.2 | 163.0651 | 1.09 |
C12H27N7O14P2 e.g. nicotinamide arabinoside adenine dinucleotide | 2.1 | 556.116 | 12.8 |
10-formyltetrahydrofolate | 2.1 | 474.1813 | 7.3 |
Thymidine | 0.6 | 243.0938 | 9.4 |
C10H14N6O5 e.g. 1-amino guanosine | 0.6 | 299.1132 | 15.1 |
3-dehydroshikimate | 0.5 | 173.0471 | 14.3 |
The table shows the putative compound name, the relative abundance of the metabolite, apparent mass of the compound, and the deviation of the apparent mass compared to the expected mass.