Name | Value |
---|---|
InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | |
WUUGFSXJNOTRMR-IOSLPCCCSA-N | |
C11H15N5O3S | |
297.08956034 | |
OC1C(O)C(OC1N2C=NC=3C(=NC=NC32)N)CSC |
Name | Value |
---|---|
5.34559 | |
30 | |
C11H15N5O3S | |
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 | |
1.527040536496118 | |
0.5786310586586391 | |
298.096832275391 | |
[M+H]+ | |
2.3417377623248727 ppm | |
-6.98064608968707E-4 Da |