Name | Value |
---|---|
InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6+/m1/s1 | |
YQIFAMYNGGOTFB-XINAWCOVSA-N | |
C9H13N5O4 | |
255.096753896 | |
N=C1N=C(O)C=2N=C(CNC2N1)C(O)C(O)CO |
Name | Value |
---|---|
7.872309 | |
30 | |
C9H13N5O4 | |
Centroid | |
Isabel Meister, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
CC-BY | |
MS2 | |
ESI | |
AIF | |
Merck SeQuant ZIC HILIC (2.1 x 100 mm, 3.5 µm particle size) with Merck SeQuant ZIC HILIC Guard column (2.1 mm x 2 mm, 3.5 µm particle size) | |
5/95 at 0-1.5 min, 60/40 at 12-14 min, 75/25 at 14.2-17 min; 5/95 at 18-25 min | |
0.3ml/min | |
water with 0.1% formic acid (pH2.7) | |
acetonitrile with 0.1% formic acid | |
POS_2020-06-11_V02-RCH_LC02_AIF_ChemSTD_Meister2020_OPEN.msp | |
positive | |
2.6664111142395197 | |
0.769363618296914 | |
256.104034423828 | |
[M+H]+ | |
2.692156621178215 ppm | |
-6.89472171984562E-4 Da |