Name | Value |
---|---|
Natural Product; Zeatin | |
InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+/t9-,11-,12+,13-,16-/m1/s1 | |
VYRAJOITMBSQSE-HNVSNYHQSA-N | |
C16H23N5O6 | |
381.164833456 | |
OCC(=CCNC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C(O)C3O)C |
External Identifier | Value |
---|---|
9842892 |
Name | Value |
---|---|
CE000316 | |
2016.01.19 (Created 2012.04.12) | |
Ales Svatos, Marco Kai, Ravi Kumar Maddula, MPI for Chemical Ecology, Jena, Germany | |
CC BY-NC-SA | |
Copyright(C) 2011 MPI for Chemical Ecology, Jena, Germany | |
F. Rasche, K. Scheubert, F. Hufsky, T. Zichner, M. Kai, A. Svatos and S. Boecker. Identifying the unknowns by aligning fragmentation trees. Anal. Chem., 2012, 84, 3417-3426 doi:10.1021/ac300304u | |
Acquisition and generation of the data is financially supported by the Max-Planck-Society | |
381.16483 | |
LTQ Orbitrap XL, Thermo Scientfic; HP-1100 HPLC, Agilent | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
7500 | |
4.5 kV | |
140 V | |
300000.0 | |
275 C | |
39 V | |
CID | |
30 ms | |
q=0.25 | |
14.0eV | |
Symmetry C18 Column, Waters | |
CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH) | |
0min:5%, 24min:95%, 28min:95%, 28.1:5% (acetonitrile) | |
0.3 ml/min | |
7.6883 s | |
positive | |
1.7057496024758692 | |
0.5518363556031488 | |
387 | |
[M+H]+ | |
12473.376082687346 ppm | |
4.827196544000003 Da |