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 | |
161.068807832 | |
O=C(O)C(N=C(O)C)C(O)C |
Name | Value |
---|---|
3.76 | |
40 | |
C6H11NO4 | |
Centroid | |
Isabel Meister, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
CC-BY | |
MS2 | |
ESI | |
DDA | |
Merck SeQuant ZIC pHILIC Guard column (2.1 mm x 20 mm, 5 µm particle size) with Merck SeQuant ZIC pHILIC (2.1 x 100 mm, 5 µm particle size, 100 Å) | |
12/88 at 0 min, 40/60 at 8.5 min, 75/25 at 8.7-11.2 min; 12/88 at 11.5-22 min | |
0.28ml/min | |
5 mM ammonium acetate in water with 0.04% NH4OH (pH 9.3) | |
acetonitrile | |
NEG_2020-11-24_V01B_RCH_LC06_tDDA_ChemSTD_219_CPD_Meister2020_OPEN.msp | |
[M-H]- | |
negative | |
1.6513096936100276 | |
0.7171546878481844 | |
160.061538696289 | |
0.04288531178287588 ppm | |
6.864288991437206E-6 Da |