Table 1.
Metabolites and LC-MS/MS settings of the NAD+ metabolome method.
| ID | CAS nr | Rt | MF | MM | MIM | Q1 > Q3 | CE | S-Lens |
|---|---|---|---|---|---|---|---|---|
| Nam | 98-92-0 | 2.9 | C6H6N2O | 122.12 | 122.05 | 123 > 80, 53 | 26, 32 | 102 |
| Nam-d4 | 347841-88-7 | 2.9 | C6H22H4N2O | 126.15 | 126.07 | 127 > 84, 81 | 22, 18 | 99 |
| MeXPY (Me2PY /Me4PY) |
701-44-0, 769-49-3 |
3.2 | C7H8N2O2 | 152.15 | 152.06 | 153 > 136, 92 | 15, 23 | 62 |
| NA | 59-67-6 | 3.9 | C6H5NO2 | 123.11 | 123.03 | 124 > 78, 53 | 22, 31 | 102 |
| NNO | 1986-81-8 | 4.8 | C6H6N2O2 | 138.12 | 138.04 | 139 > 106, 78 | 21, 31 | 118 |
| NUA | 583-08-4 | 5.3 | C8H8N2O3 | 180.16 | 180.05 | 181 > 135, 80 | 16, 34 | 107 |
| NRH | 19132-12-8 | 5.4 | C11H16N2O5 | 256.26 | 256.11 | 257 > 150, 108 | 24, 31 | 99 |
| Trig | 535-83-1 | 9.2 | C7H7NO2 | 137.14 | 137.05 | 138 > 92, 94 | 21, 20 | 78 |
| Trig-d3 | - | 9.2 | C7H42H3NO2 | 140.15 | 140.07 | 141 > 97, 95 | 21, 23 | 73 |
| NAR | 17720-18-2 | 10.5 | C11H13NO6 | 255.22 | 255.07 | 256 > 124, 78 | 13, 40 | 146, 64 |
| NADH | 58-68-4 | 10.6 | C21H29N7O14P2 | 665.44 | 665.12 | 666 > 649, 302 | 20, 40 | 119 |
| 13C-NADH | 1259998-13-4 | 10.6 | 13C21H29N7O14P2 | 686.29 | 686.20 | 687 > 670, 311 | 20, 40 | 119 |
| NMNH | 4229-56-5 | 10.8 | C11H17N2O8P | 336.24 | 336.07 | 337 > 320, 108 | 13, 28 | 76 |
| NAAD | 6450-77-7 | 11.1 | C21H26N6O15P2 | 664.41 | 664.09 | 665 > 136, 119 | 40 | 144 |
| NAMN | 321-02-8 | 11.4 | C11H14NO9P | 335.20 | 335.04 | 336 > 124, 97 | 13, 22 | 92 |
| NAD+ | 53-84-9 | 11.5 | C21H27N7O14P2 | 663.43 | 663.11 | 664 > 524, 428 | 20 | 137 |
| 13C-NAD+ | 1259998-09-8 | 11.5 | 13C21H27N7O14P2 | 684.27 | 684.18 | 685 > 539, 438 | 20 | 137 |
| NADPH | 53-57-6 | 11.7 | C21H30N7O17P3 | 745.42 | 745.09 | 746 > 729, 428 | 20, 40 | 206 |
| 13C-NADPH | 1259998-18-9 | 11.7 | 13C21H30N7O17P3 | 766.27 | 766.16 | 767 > 438, 750 | 20 | 150 |
| NADP+ | 53-59-8 | 11.9 | C21H28N7O17P3 | 743.41 | 743.08 | 744 > 604, 508 | 20 | 150 |
| 13C-NADP+ | 1259998-15-6 | 11.9 | 13C21H28N7O17P3 | 764.25 | 764.15 | 765 > 518, 619 | 20 | 150 |
| NMN | 1094-61-7 | 12.0 | C11H15N2O8P | 334.22 | 334.06 | 335 > 123, 80 | 14, 46 | 85 |
| MeNam | 3106-60-3 | 16.0 | C7H9N2O | 137.16 | 137.07 | 137 > 79, 52 | 31, 37 | 89 |
| NR | 1341-23-7 | 17.1 | C11H15N2O5 | 255.25 | 255.10 | 255 > 123, 80 | 13, 38 | 64 |
| NR-d4 | - | 17.1 | C11H112H4N2O5 | 259.27 | 259.12 | 259 > 127, 84 | 16, 34 | 46, 49 |
ID: metabolite acronym; CAS nr: Chemical Abstracts Service registry number; Rt = retention time (min); MF: molecular formula; MM: molecular mass (Da); MIM: monoisotopic mass (Da); Q1 > Q3 correspond to selected ions (m/z) in the 1st (molecular ion) and 3rd quadrupoles (product ions) of the multiple reaction monitoring; CE: collision energy (V); S-lens: tube lens or S-lens RF amplitude. Nam: nicotinamide; Me2PY: N-methyl-2-pyridone-5-carboxamide; Me4PY: N-methyl-4-pyridone-3-carboxamide; NA: nicotinic acid; NNO: nicotinamide-N-oxide. NUA: nicotinuric acid; NRH: nicotinamide riboside, reduced form; Trig: trigonelline; NAR: nicotinic acid riboside; NADH: nicotinamide adenine dinucleotide, reduced form; NMNH: nicotinamide mononucleotide, reduced form; NAAD: nicotinic acid adenine dinucleotide; NAMN: nicotinic acid mononucleotide; NAD+: nicotinamide adenine dinucleotide; NADPH: nicotinamide adenine dinucleotide monophosphate, reduced form; NADP+: nicotinamide adenine dinucleotide monophosphate; NMN: nicotinamide mononucleotide; MeNam: N-methylnicotinamide; NR: nicotinamide riboside.