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 | |
237.086189212 | |
N=C1N=C(O)C=2N=C(C=NC2N1)C(O)C(O)C |
Name | Value |
---|---|
6.355395 | |
30 | |
C9H11N5O3 | |
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 | |
2.625027180126796 | |
0.8371972644028349 | |
238.093460083008 | |
[M+H]+ | |
2.936363694066575 ppm | |
-6.991289919824339E-4 Da |