Name | Value |
---|---|
RKWGIWYCVPQPMF-UHFFFAOYSA-N | |
C10H13ClN2O3S | |
276.033540956 | |
O=S(=O)(NC(O)=NCCC)C1=CC=C(Cl)C=C1 | |
InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14) |
Name | Value |
---|---|
MS2 | |
LC-ESI-QFT | |
Thermo Q Exactive HF | |
C10H13ClN2O3S | |
positive | |
HCD (NCE 20-30-40%) | |
Sonnenburg Lab MS2 Library C18 positive method | |
Sonnenburg_Lab_QE_MS2_Spectra.msp | |
1.6217450555474715 | |
0.6322717642863991 | |
277.040817 | |
[M+H]+ | |
2.5048872131377475 ppm | |
-6.939560000205347E-4 Da |