Name | Value |
---|---|
InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12) | |
FZWGECJQACGGTI-UHFFFAOYSA-N | |
C6H7N5O | |
165.065059844 | |
N=C1N=C(O)C2=C(N=CN2C)N1 |
Name | Value |
---|---|
40 | |
7.48 | |
C6H7N5O | |
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 | |
2.6198025611911793 | |
0.786207014963026 | |
166.072341918945 | |
[M+H]+ | |
4.142321635506303 ppm | |
-6.879250549900462E-4 Da |