Name | Value |
---|---|
InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1 | |
UHDGCWIWMRVCDJ-XVFCMESISA-N | |
C9H13N3O5 | |
243.085520516 | |
N=C1N=C(O)N(C=C1)C2OC(CO)C(O)C2O |
Name | Value |
---|---|
20 | |
4.34 | |
C9H13N3O5 | |
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 | |
1.424100553767744 | |
0.7318429139490877 | |
242.078247070313 | |
[M-H]- | |
0.010551600692129523 ppm | |
2.5543129993366165E-6 Da |