Name | Value |
---|---|
InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | |
JGSARLDLIJGVTE-MBNYWOFBSA-N | |
C16H18N2O4S | |
334.09872805599997 | |
O=C(O)C1N2C(=O)C(N=C(O)CC=3C=CC=CC3)C2SC1(C)C |
Name | Value |
---|---|
1.102639 | |
0 | |
C16H18N2O4S | |
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 | |
2.020614094074623 | |
0.7656575214943144 | |
335.106018066406 | |
[M+H]+ | |
2.029177505887836 ppm | |
-6.799895939479939E-4 Da |