Name | Value |
---|---|
InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1 | |
PTJWIQPHWPFNBW-GBNDHIKLSA-N | |
C9H12N2O6 | |
244.06953610399998 | |
OC1=NC=C(C(O)=N1)C2OC(CO)C(O)C2O |
Name | Value |
---|---|
5.838457 | |
10 | |
C9H12N2O6 | |
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 | |
2.559635645044377 | |
0.7453829885275127 | |
245.076812744141 | |
[M+H]+ | |
2.8291532406584547 ppm | |
-6.933598589853318E-4 Da |