Name | Value |
---|---|
InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+ | |
LOIYMIARKYCTBW-OWOJBTEDSA-N | |
C6H6N2O2 | |
138.042927432 | |
O=C(O)C=CC1=CN=CN1 |
Name | Value |
---|---|
7.106142 | |
10 | |
C6H6N2O2 | |
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 | |
1.243005591044452 | |
0.6387785127940762 | |
139.050201416016 | |
[M+H]+ | |
5.005501444204656 ppm | |
-6.960159840048163E-4 Da |