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. Author manuscript; available in PMC: 2021 Jun 1.
Published in final edited form as: Anal Chem. 2017 Sep 22;89(19):10171–10180. doi: 10.1021/acs.analchem.7b01134

Table 1.

Annotation of 10 Methylated Nucleosides and 6 Methylated Amino Acids for Workflow Validation

No. name RT (min) RI (Fiehn) MINE ID formula mass CFM-ID rank MS-FINDER rank
1 1-methyladenosine 24.9 942720 602371 C11H15N5O4-3TMS 497.231 3 4
2 1-methylguanosine 28.8 1102998 259583 C11H15N5O5-4TMS 585.265 8 1
3 1-methylpseudouridine 23.1 872424 284529 C10H14N2O6-3TMS 474.204 2 2
4 2′-O-methylcytidine 24.2 916966 602133 C10H15N3O5-3TMS 473.220 1 1
5 3′-O-methylcytidine 23.9 905689 602134 C10H15N3O5-3TMS 473.220 2 2
6 3′-O-methylinosine 23.1 870695 550471 C11H14N4O5-3TMS 498.215 2 2
7 3′-O-methyluridine 22.0 828405 507523 C10H14N2O6-3TMS 474.204 2 1
8 5-methylcytidine 24.2 914212 153249 C10H15N3O5-4TMS 545.259 2 5
9 5-methyluridine 22.6 852669 521419 C10H14N2O6-4TMS 546.243 5 2
10 N-methyladenosine 23.8 901455 52386 C11H15N5O4-3TMS 497.231 1 2
11 N-methylleucine 10.8 384857 18421 C7H15NO2-2TMS 289.189 2 2
12 N-methyllysine 16.9 634380 23416 C7H16N2O2-3TMS 376.240 5 2
13 N-methylphenylalanine 15.4 570942 23901 C10H13NO2-2TMS 323.174 1 2
14 N-methylserine 12.0 430901 5876 C4H9NO3-3TMS 335.177 1 6
15 N-methylthreonine 12.5 451638 979 C5H11NO3-3TMS 349.192 1 6
16 N-methyltyrosine 18.8 704844 5520 C10H13NO3-3TMS 411.208 1 2