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 |
---|---|
4.24 | |
40 | |
C6H6N4O3 | |
Centroid | |
Isabel Meister, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
CC-BY | |
MS2 | |
ESI | |
DDA | |
Merck SeQuant ZIC pHILIC Guard column (2.1 mm x 20 mm, 5 µm particle size) with Merck SeQuant ZIC pHILIC (2.1 x 100 mm, 5 µm particle size, 100 Å) | |
12/88 at 0 min, 40/60 at 8.5 min, 75/25 at 8.7-11.2 min; 12/88 at 11.5-22 min | |
0.28ml/min | |
5 mM ammonium acetate in water with 0.04% NH4OH (pH 9.3) | |
acetonitrile | |
NEG_2020-11-24_V01B_RCH_LC06_tDDA_ChemSTD_219_CPD_Meister2020_OPEN.msp | |
negative | |
0.2647163350089905 | |
0.19095247187988604 | |
181.036712646484 | |
[M-H]- | |
0.0077637070498258595 ppm | |
-1.4055160022508062E-6 Da |