Name | Value |
---|---|
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 | |
AYFVYJQAPQTCCC-GBXIJSLDSA-N | |
C4H9NO3 | |
119.05824314799999 | |
O=C(O)C(N)C(O)C |
Name | Value |
---|---|
6.43 | |
10 | |
C4H9NO3 | |
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 | |
1.172077870810736 | |
0.845475465877172 | |
118.050964355469 | |
[M-H]- | |
0.023655300007582262 ppm | |
-2.792530978013019E-6 Da |