Name | Value |
---|---|
InChI=1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13) | |
YHNNPKUFPWLTOP-UHFFFAOYSA-N | |
C6H6N4O3 | |
182.04399005199997 | |
OC=1N=C(O)C2=C(N1)N=C(O)N2C |
Name | Value |
---|---|
10 | |
5.123089 | |
C6H6N4O3 | |
Centroid | |
Isabel Meister, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
CC-BY | |
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 | |
POS_2020-06-11_V02-RCH_LC02_AIF_ChemSTD_Meister2020_OPEN.msp | |
positive | |
0.8675128892633308 | |
0.4171855144158213 | |
183.05126953125 | |
[M+H]+ | |
3.7722805842218317 ppm | |
-6.905207499698918E-4 Da |