Name | Value |
---|---|
244.06953610399998 | |
InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1 | |
PTJWIQPHWPFNBW-GBNDHIKLSA-N | |
C9H12N2O6 | |
OC1=NC=C(C(O)=N1)C2OC(CO)C(O)C2O |
Name | Value |
---|---|
4.34 | |
20 | |
C9H12N2O6 | |
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 | |
1.8442869263392596 | |
0.6156381004472363 | |
243.062255859375 | |
[M-H]- | |
0.017463118550684775 ppm | |
-4.244624989269141E-6 Da |