Name | Value |
---|---|
InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) | |
GMSNIKWWOQHZGF-UHFFFAOYSA-N | |
C6H6N4O2 | |
166.049075432 | |
O=C1N=C(O)C=2N=CNC2N1C |
Name | Value |
---|---|
10 | |
2.11 | |
C6H6N4O2 | |
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 | |
1.1811047431732737 | |
0.6069677696817956 | |
165.041793823242 | |
[M-H]- | |
0.03398386485218453 ppm | |
-5.6087580162511586E-6 Da |