Spectrum CE000261 for Cis-Zeatin-riboside

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
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

Mass Spectral Metadata

NameValue
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