| Name | Value |
|---|---|
| InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/m0/s1 | |
| XUHLIQGRKRUKPH-DYEAUMGKSA-N | |
| C6H11NO3S | |
| 177.045964212 | |
| O=C(O)C(N)CS(=O)CC=C |
| Name | Value |
|---|---|
| 7.380252 | |
| 30 | |
| C6H11NO3S | |
| Centroid | |
| Isabel Meister, Romanas Chaleckis | |
| Agilent 6550 iFunnel | |
| LC-ESI-QTOF | |
| CC-BY | |
| MS2 | |
| ESI | |
| AIF | |
| 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_V02-RCH_LC02_AIF_ChemSTD_Meister2020_OPEN.msp | |
| positive | |
| 2.2867663073558107 | |
| 0.8915444278474813 | |
| 178.053237915039 | |
| [M+H]+ | |
| 3.910611057396626 ppm | |
| -6.962969609958236E-4 Da |