Name | Value |
---|---|
InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16) | |
QSHWIQZFGQKFMA-UHFFFAOYSA-N | |
C10H14N2O4 | |
226.095356928 | |
O=C(O)CC=1C(=CNC1CN)CCC(=O)O |
Name | Value |
---|---|
7.55 | |
20 | |
C10H14N2O4 | |
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 | |
negative | |
1.3772514540731553 | |
0.7077672392745233 | |
225.088088989258 | |
[M-H]- | |
0.03581379199973899 ppm | |
8.061258000680027E-6 Da |