| UNSPSC Code | 12352205 |
|---|---|
| PubChem Substance ID | 329768774 |
| NACRES | NA.12 |
| SMILES string | O[13C]([13C][13C][13C]([13C](O)=O)NC(C1=CC=C(NC[C@@H]2N(C)C(C(N=C(N)N3)=O)=C3NC2)C=C1)=O)=O |
| InChI | 1S/C20H20N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12,22H,8-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-/m0/s1/i6+1,7+1,13+1,14+1,19+1 |
| InChI key | HMSZVEVPXBVRSZ-XCGRYNQXSA-N |
| isotopic purity | 99 atom % 13C |
| assay | 95% (CP) |
| form | powder |
| technique(s) | mass spectrometry (MS): suitable |
| color | white to off-white |
| application(s) | detection |
| mass shift | M+5 |
| storage temp. | −20°C |
| Quality Level | 200 |
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