Name | Value |
---|---|
InChI=1S/C7H14N2O3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t6-/m0/s1 | |
STKYPAFSDFAEPH-LURJTMIESA-N | |
C7H14N2O3 | |
174.100442308 | |
O=C(O)C(N=C(O)CN)C(C)C |
Name | Value |
---|---|
7.9 | |
10 | |
C7H14N2O3 | |
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 | |
1.2977678108001147 | |
0.7242980060036925 | |
175.107727050781 | |
[M+H]+ | |
3.9133465469825848 ppm | |
-6.852572190041428E-4 Da |