Name | Value |
---|---|
UUTKICFRNVKFRG-WDSKDSINSA-N | |
C9H12N2O4S | |
244.051777864 | |
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 | |
negative | |
HCD (NCE 20-30-40%) | |
7.298183 | |
1280 | |
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) | |
0.686879102680455 | |
0.2376438604494318 | |
243.0441 | |
[M-H]- | |
1.6534612443807446 ppm | |
-4.018640000253981E-4 Da |