Name | Value |
---|---|
InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m1/s1 | |
PEDXUVCGOLSNLQ-WUJLRWPWSA-N | |
C6H11NO4 | |
161.06880783199998 | |
O=C(O)C(N=C(O)C)C(O)C |
Name | Value |
---|---|
2.808861 | |
10 | |
C6H11NO4 | |
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 | |
2.016784941480183 | |
0.7642065668100531 | |
162.076080322266 | |
[M+H]+ | |
4.3035945377933515 ppm | |
-6.975097339818603E-4 Da |