Name | Value |
---|---|
InChI=1S/C7H8N4O3/c1-10-4-3(8-6(10)13)5(12)11(2)7(14)9-4/h1-2H3,(H,8,13)(H,9,14) | |
UARKDOLETOEBCU-UHFFFAOYSA-N | |
C7H8N4O3 | |
196.059640116 | |
O=C1C=2N=C(O)N(C2N=C(O)N1C)C |
External Identifier | Value |
---|---|
55441-62-8 | |
97753 | |
108712 |
Name | Value |
---|---|
BML01712 | |
2016.01.19 (Created 2012.10.26) | |
Cuthbertson DJ, Johnson SR, Lange BM, Institute of Biological Chemistry, Washington State University | |
CC BY-SA | |
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.247 | |
196.05964 | |
Agilent 1200 RRLC; Agilent 6520 QTOF | |
LC-ESI-QTOF | |
MS2 | |
20 ev | |
N2 | |
m/z 100-1000 | |
Agilent C8 Cartridge Column 2.1X30mm 3.5 micron (guard); Agilent SB-Aq 2.1x50mm 1.8 micron (analytical) | |
60 C | |
linear from 98A/2B at 0 min to 2A/98B at 13 min, hold 6 min at 2A/98B, reequilibration 98A/2B (5 min) | |
0.6 ml/min | |
1.819 | |
water with 0.2% acetic acid | |
methanol with 0.2% acetic acid | |
positive | |
1.1904180760371534 | |
0.7396483373731237 | |
197.0669 | |
[M+H]+ | |
3.603426044624323 ppm | |
-7.10115999993377E-4 Da |