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Details of Heneicosanoic acid methylester

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Role Analyte
nameHeneicosanoic acid methylester
MPIMP IDA245003
isotopomerambient
formulaC22H44O2
molecular mass340.584
monoisotopic mass340.33413
InChIInChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h3-21H2,1-2H3
InChIKeyAJRICDSAJQHDSD-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O1
retention index (VAR5 method, n-alkanes C10–C36)2,441.04
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27dd756147-0a3c-49ea-824f-44c57adee745%27)

Synonyms of Heneicosanoic acid methylester

propertyvalue
CAS6064-90-0
ChemSpider ID21054
PubChem CID22434
PubChem SID92297775
synonymHeneicosanoic acid methylester
synonymHeneicosanoic acid methylester, n-
6 synonym(s)

Metabolite mapped to Heneicosanoic acid methylester

Reference spectra of Heneicosanoic acid methylester

replicaentry datedetectionmethodspecies
15/1/2003 12:00:00 AM M[2]Spathodea campanulata P. Beauv.
25/12/2005 12:00:00 AM M[NIST] 
2 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/11/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Strehmel N., Hummel J.
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