Name | Value |
---|---|
InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1 | |
HXFOXFJUNFFYMO-BYPYZUCNSA-N | |
C6H10N2O4 | |
174.0640568 | |
O=C(O)C(N=C(O)C)CC(=N)O |
Name | Value |
---|---|
5.04 | |
10 | |
C6H10N2O4 | |
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 | |
2.489943653515673 | |
0.8311636108128331 | |
173.056777954102 | |
[M-H]- | |
0.016444880446470255 ppm | |
-2.8458980239065568E-6 Da |