Name | Value |
---|---|
InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) | |
LEHOTFFKMJEONL-UHFFFAOYSA-N | |
C5H4N4O3 | |
168.02833998799997 | |
OC=1N=C(O)C=2N=C(O)NC2N1 |
Name | Value |
---|---|
5.61 | |
20 | |
C5H4N4O3 | |
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 | |
1.7435674233479308 | |
0.7572217107862773 | |
167.021057128906 | |
[M-H]- | |
0.04106724088585175 ppm | |
-6.859093986122389E-6 Da |