Name | Value |
---|---|
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | |
XUJNEKJLAYXESH-REOHCLBHSA-N | |
C3H7NO2S | |
121.019749464 | |
O=C(O)C(N)CS |
Name | Value |
---|---|
8.04 | |
40 | |
C3H7NO2S | |
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 | |
1.0902569232836807 | |
0.6084839745556901 | |
122.027030944824 | |
[M+H]+ | |
5.642349655349773 ppm | |
-6.885191759948839E-4 Da |