Name | Value |
---|---|
InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12) | |
QFDRTQONISXGJA-UHFFFAOYSA-N | |
C6H6N4O3 | |
182.04399005199997 | |
O=C1C=2N=C(O)NC2N=C(O)N1C |
Name | Value |
---|---|
4.26 | |
20 | |
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 | |
1.9833649154240753 | |
0.7515429442047116 | |
181.036712646484 | |
[M-H]- | |
0.007763706892831684 ppm | |
-1.4055159738290968E-6 Da |