Name | Value |
---|---|
InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14) | |
NOFNCLGCUJJPKU-UHFFFAOYSA-N | |
C7H8N4O3 | |
196.059640116 | |
O=C1C2=C(N=C(O)N1C)N=C(O)N2C |
Name | Value |
---|---|
30 | |
[M-H]- | |
2.84 | |
C7H8N4O3 | |
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 | |
1.965435110586468 | |
0.693712358340308 | |
195.052368164063 | |
0.020753723950674607 ppm | |
4.048063004802316E-6 Da |