Name | Value |
---|---|
Natural Product; Zeatin | |
InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11-,12-,15-/m1/s1 | |
GOSWTRUMMSCNCW-BAJUWZQUSA-N | |
C15H21N5O5 | |
351.15426877199997 | |
OCC(=CCNC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O)C |
External Identifier | Value |
---|---|
13935024 |
Name | Value |
---|---|
CE000261 | |
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 | |
351.15427 | |
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 | |
11.0eV | |
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 | |
6.379 s | |
positive | |
1.1804822816370006 | |
0.42576898339374736 | |
352.16155 | |
[M+H]+ | |
1.9558410053269946 ppm | |
-6.887719999895126E-4 Da |