Name | Value |
---|---|
InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m1/s1 | |
FEMXZDUTFRTWPE-AWFVSMACSA-N | |
C9H13N5O3 | |
239.101839276 | |
N=C1N=C(O)C=2N=C(CNC2N1)C(O)C(O)C |
Name | Value |
---|---|
7.12 | |
30 | |
C9H13N5O3 | |
Centroid | |
Isabel Meister, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
CC-BY | |
MS2 | |
ESI | |
DDA | |
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_V01_RCH_LC02_tDDA_ChemSTD_Meister2020_OPEN.msp | |
positive | |
3.3411169966892778 | |
0.8726638644593661 | |
240.109115600586 | |
[M+H]+ | |
2.889000745612964 ppm | |
-6.936754139985624E-4 Da |