Name | Value |
---|---|
InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) | |
FDGQSTZJBFJUBT-UHFFFAOYSA-N | |
C5H4N4O | |
136.038510748 | |
OC1=NC=NC=2NC=NC12 |
Name | Value |
---|---|
Centroid | |
3.17 | |
40 | |
C5H4N4O | |
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 | |
1.5304041055927515 | |
0.7359688045649241 | |
135.031234741211 | |
[M-H]- | |
5.0277319018251824E-5 ppm | |
-6.789008466512314E-9 Da |