Name | Value |
---|---|
InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m0/s1 | |
LHQIJBMDNUYRAM-DZSWIPIPSA-N | |
C9H11N5O3 | |
237.08618921200002 | |
N=C1N=C(O)C=2N=C(C=NC2N1)C(O)C(O)C |
Name | Value |
---|---|
4.29 | |
10 | |
C9H11N5O3 | |
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 | |
1.082536196621382 | |
0.49268345520410234 | |
236.078918457031 | |
[M-H]- | |
0.022217278004840326 ppm | |
5.245030962441888E-6 Da |