Name | Value |
---|---|
InChI=1S/C5H6N2O2/c8-5(9)3-7-2-1-6-4-7/h1-2,4H,3H2,(H,8,9) | |
QAFBDRSXXHEXGB-UHFFFAOYSA-N | |
C5H6N2O2 | |
126.042927432 | |
O=C(O)CN1C=NC=C1 |
Name | Value |
---|---|
3.76 | |
40 | |
C5H6N2O2 | |
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 | |
0.33089012064257467 | |
0.3011891675121581 | |
125.035652160645 | |
[M-H]- | |
0.0058274979421807345 ppm | |
7.286450056653848E-7 Da |