Name | Value |
---|---|
InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1 | |
ZTVZLYBCZNMWCF-WDSKDSINSA-N | |
C8H16N2O4S2 | |
268.055148992 | |
O=C(O)C(N)CCSSCCC(N)C(=O)O |
Name | Value |
---|---|
10.58 | |
40 | |
C8H16N2O4S2 | |
Centroid | |
Isabel Meister, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
CC-BY | |
MS2 | |
ESI | |
DDA | |
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_V01_RCH_LC02_tDDA_ChemSTD_Meister2020_OPEN.msp | |
positive | |
1.2135703498005412 | |
0.5836039751423752 | |
269.062438964844 | |
[M+H]+ | |
2.5273953459969447 ppm | |
-6.800271560223337E-4 Da |