Name | Value |
---|---|
InChI=1S/C6H6N4O2/c1-10-2-7-3-4(10)8-6(12)9-5(3)11/h2H,1H3,(H2,8,9,11,12) | |
DHNIKYWYTSMDDA-UHFFFAOYSA-N | |
C6H6N4O2 | |
166.049075432 | |
OC=1N=C(O)C=2N=CN(C2N1)C |
Name | Value |
---|---|
4.822382 | |
CC-BY | |
positive | |
POS_2020-06-11_V02-RCH_LC02_AIF_ChemSTD_Meister2020_OPEN.msp | |
10 | |
C6H6N4O2 | |
Centroid | |
Isabel Meister, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
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 | |
1.3420535605511286 | |
0.6453913388048298 | |
167.056350708008 | |
[M+H]+ | |
4.1586206632645535 ppm | |
-6.947239919838921E-4 Da |