Name | Value |
---|---|
InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t7-/m0/s1 | |
KBOJOGQFRVVWBH-ZETCQYMHSA-N | |
C8H11N3O3 | |
197.080041212 | |
O=C(O)C(N=C(O)C)CC1=CN=CN1 |
Name | Value |
---|---|
8.155978 minutes | |
10 | |
Ipputa Tada, Hiroshi Tsugawa, Isabel Meister, Pei Zhang, Rie Shu, Riho Katsumi, Craig E. Wheelock, Masanori Arita, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
CC-BY | |
MS2 | |
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 | |
KI GIAR zic-HILIC Pos v0.92.msp.txt | |
DDA QTOF | |
DI (direct infusion) | |
1.9284123961817723 | |
0.7307201607715399 | |
198.087310791016 | |
[M+H]+ | |
3.5359205049853446 ppm | |
-7.004209840033582E-4 Da |