| Name | Value |
|---|---|
| InChI=1S/C6H6N4O3/c1-10-3-2(7-5(12)8-3)4(11)9-6(10)13/h1H3,(H2,7,8,12)(H,9,11,13) | |
| ODCYDGXXCHTFIR-UHFFFAOYSA-N | |
| C6H6N4O3 | |
| 182.043990052 | |
| O=C1N=C(O)C=2N=C(O)NC2N1C |
| Name | Value |
|---|---|
| 10 | |
| 5.00238 | |
| C6H6N4O3 | |
| Centroid | |
| Isabel Meister, Romanas Chaleckis | |
| Agilent 6550 iFunnel | |
| LC-ESI-QTOF | |
| CC-BY | |
| MS2 | |
| ESI | |
| AIF | |
| Merck SeQuant ZIC HILIC (2.1 x 100 mm, 3.5 µm particle size) with Merck SeQuant ZIC HILIC Guard column (2.1 mm x 2 mm, 3.5 µm particle size) | |
| 5/95 at 0-1.5 min, 60/40 at 12-14 min, 75/25 at 14.2-17 min; 5/95 at 18-25 min | |
| 0.3ml/min | |
| water with 0.1% formic acid (pH2.7) | |
| acetonitrile with 0.1% formic acid | |
| POS_2020-06-11_V02-RCH_LC02_AIF_ChemSTD_Meister2020_OPEN.msp | |
| positive | |
| 0.4764484293510167 | |
| 0.3436848931320237 | |
| 183.05126953125 | |
| [M+H]+ | |
| 3.7722805843770986 ppm | |
| -6.905207499983135E-4 Da |