Name | Value |
---|---|
InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19?,20-,21-/m1/s1 | |
XZNUGFQTQHRASN-XZEBHBPDSA-N | |
C21H41N5O11 | |
539.280257132 | |
OCC1OC(OC2OC3CC(N)C(OC3C(O)C2NC)OC4C(O)C(O)C(N)CC4N)C(O)C(O)C1N |
External Identifier | Value |
---|---|
71428 |
Name | Value |
---|---|
CO000074 | |
Dennis W. Hill, Tzipporah M. Kertesz, Robert Friedman, David F. Grant | |
CC BY-SA | |
2016.01.19 (Created 2008.07.15, modified 2012.11.20) | |
Mass Spectral Metabonomics beyond Elemental Formula: Chemical Database Querying by Matching Experimental with Computational Fragmentation Spectra, http://pubs.acs.org/doi/abs/10.1021/ac800548g | |
539.28026 | |
Micromass Q-TOF II | |
LC-ESI-QTOF | |
MS2 | |
40 eV | |
ESI | |
positive | |
3.523602955777096 | |
0.8186686026985578 | |
540.2882 | |
[M+H]+ | |
0.050217643127885375 ppm | |
-2.7132000013807556E-5 Da |