Name | Value |
---|---|
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 | |
RWSXRVCMGQZWBV-WDSKDSINSA-N | |
C10H17N3O6S | |
307.083806264 | |
O=C(O)CN=C(O)C(N=C(O)CCC(N)C(=O)O)CS |
Name | Value |
---|---|
CC-BY | |
0.28ml/min | |
NEG_2020-11-24_V01B_RCH_LC06_tDDA_ChemSTD_219_CPD_Meister2020_OPEN.msp | |
6.84 | |
20 | |
C10H17N3O6S | |
Centroid | |
Isabel Meister, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
DDA | |
Merck SeQuant ZIC pHILIC Guard column (2.1 mm x 20 mm, 5 µm particle size) with Merck SeQuant ZIC pHILIC (2.1 x 100 mm, 5 µm particle size, 100 Å) | |
12/88 at 0 min, 40/60 at 8.5 min, 75/25 at 8.7-11.2 min; 12/88 at 11.5-22 min | |
5 mM ammonium acetate in water with 0.04% NH4OH (pH 9.3) | |
acetonitrile | |
negative | |
2.708636535423334 | |
0.7815472994451814 | |
306.076538085938 | |
[M-H]- | |
0.02555549692236682 ppm | |
7.82193802706388E-6 Da |