Name | Value |
---|---|
InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 | |
YBJHBAHKTGYVGT-ZKWXMUAHSA-N | |
C10H16N2O3S | |
244.088163372 | |
O=C(O)CCCCC1SCC2N=C(O)NC21 |
Name | Value |
---|---|
2.479396 | |
10 | |
C10H16N2O3S | |
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 | |
1.5075242806413094 | |
0.6286864558859618 | |
227.084884643555 | |
[M+H-H2O]+ | |
18.016485603759957 ppm | |
0.004091271555012099 Da |