Name | Value |
---|---|
26351-03-1 | |
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i3D3 | |
C8H10N4O2 | |
197.09920579799999 | |
[H]C([H])([H])N1C(=O)C2=C(N=CN2C)N(C1=O)C | |
RYYVLZVUVIJVGH-HPRDVNIFSA-N |
Name | Value |
---|---|
LC-ESI | |
Commercial | |
qTof | |
0.0 | |
0 | |
f.alan_jarmusch/GNPS_library_additions/Caffeine-d3.mzXML; | |
MS2 | |
GNPS-LIBRARY | |
alan jarmusch, Pieter Dorrestein, alan_jarmusch | |
positive | |
0.898491251232688 | |
0.23743293496165618 | |
198.106 | |
[M+H]+ | |
5.935196309002988 ppm | |
-0.001175797999991346 Da |