Name | Value |
---|---|
InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13) | |
OTSBKHHWSQYEHK-UHFFFAOYSA-N | |
C7H8N4O3 | |
196.05964011599997 | |
O=C1C=2N=C(O)NC2N(C(=O)N1C)C |
Name | Value |
---|---|
3.035457 | |
30 | |
C7H8N4O3 | |
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 | |
2.4775479418747186 | |
0.8137722721883875 | |
197.066925048828 | |
[M+H]+ | |
3.476317356592725 ppm | |
-6.850671719575985E-4 Da |