Name | Value |
---|---|
InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1 | |
JCMUOFQHZLPHQP-BQBZGAKWSA-N | |
C11H19N3O6 | |
289.127385328 | |
O=C(O)CN=C(O)C(N=C(O)CCC(N)C(=O)O)CC |
Name | Value |
---|---|
7.97 | |
10 | |
C11H19N3O6 | |
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 | |
1.5740674143619122 | |
0.6564370980743283 | |
290.134674072266 | |
[M+H]+ | |
2.3480672765442665 ppm | |
-6.812557339799241E-4 Da |