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31st May 2013 @ 17:05

About Template

This page contains additional information for the LabTrove ChemSpider compound and associated data template. LabTrove posts which are created using this template will be compatible for submission to ChemSpider

  • For more specific help about these fields and what to fill them with see the corresponding Help page
  • Fields marked * are mandatory
  • Fields marked # correspond to files - you will need to upload the data file into this LabTrove post, and when uploaded click on the "add link to text" button next to it to insert a link in the appropriate point of the template.

Help about fields in template

ChemSpider ID If known the ChemSpider ID should be included here (and formatted as a link to the chemspider page e.g. 236 - note that the correct link format to ChemSpider is of the form http://www.chemspider.com/Chemical-Structure.236.html)
*#Compound mol file You will need to upload the data file into this LabTrove post, and when uploaded click on the "add link to text" button next to it to insert a link in the appropriate point of the template.
Tags

Enter a list of tags separated by commas.

e.g. vitamin, acid, drug

Spectrum jcamp file

You will need to upload the data file into this LabTrove post, and link to it. 

Spectrum comments

Comments about the spectra, peak assignments, etc.

Spectrum Type Allowed values are:
  • 2D NMR 1H-13C Direct correlation
  • 2D NMR 1H-13C Long-range correlation
  • 2D NMR 1H-1H COSY
  • 2D NMR 1H-1H Long-range correlation
  • 2D NMR 1H-1H NOESY/ROESY
  • APCl+ Mass Spectrum
  • APCl- Mass Spectrum
  • APPl+ Mass Spectrum
  • APPl- Mass Spectrum
  • Chemical Ionization +ve
  • Chemical Ionization -ve
  • CNMR
  • Electron Impact
  • ESI+ Mass Spectrum
  • ESI- Mass Spectrum
  • FNMR
  • HNMR
  • Infrared
  • MALDI+ Mass Spectrum
  • MALDI- Mass Spectrum
  • Near Infrared
  • PNMR
  • Raman
  • UV-Vis
Spectrum image or pdf

Optional, image file or pdf displaying the spectrumm

Fields to be populated automatically

  • External ID - set to name of LabTrove post
  • External URL - set to URL of LabTrove post
Linked Posts
This post is linked by: