Name | Value |
---|---|
UUTKICFRNVKFRG-WDSKDSINSA-N | |
C9H12N2O4S | |
244.05177786399997 | |
O=C(O)C1N(C(=O)C2N=C(O)CC2)CSC1 | |
InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1 |
Name | Value |
---|---|
M + 0 | |
7.30295 | |
positive | |
HCD (NCE 20-30-40%) | |
1225 | |
LC-ESI-QFT | |
Thermo Q Exactive HF | |
Michael Sa and Megan Showalter | |
MS2 | |
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm) | |
1.6712235895536984 | |
0.5489279923991545 | |
245.0589 | |
[M+H]+ | |
3.4598376144648544 ppm | |
-8.478639999793813E-4 Da |