Name | Value |
---|---|
JDHILDINMRGULE-LURJTMIESA-N | |
C7H11N3O2 | |
169.085126592 | |
O=C(O)C(N)CC1=CN=CN1C | |
InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 |
Name | Value |
---|---|
[M+H]+ | |
C7H11N3O2 | |
169 | |
169.08513 | |
MS2 | |
HCD (NCE 20-30-40%) | |
LC-ESI-QFT | |
Thermo Q Exactive Plus | |
0.433 | |
Waters ACQUITY UPLC HSS T3 (2.1 x 50 mm; 1.8 µm) | |
"DB#: LIMeX-LIB-RPLC-POS-ID1001" | |
Tomas Cajka, Jiri Hricko, Lucie Ridl Kulhava, Michaela Paucova, Michaela Novakova | |
Tomas Cajka (Institute of Physiology of the Czech Academy of Sciences, Prague) | |
LIMeX-LIB-RPLC-POS-ID1001_v7.msp | |
positive | |
1.7291605448789047 | |
0.5772079701993906 | |
170.0922 | |
5.271211731071109 ppm | |
-8.965920000036931E-4 Da |