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Piperidine-2-carboxylic acid (1TMS)

 

Replica Mass Spectra of Piperidine-2-carboxylic acid (1TMS)

replicalib entry datedetectionmethodspecies
623 June 2014 MS-TOFVAR5 
819 June 2014 MS-TOFVAR5 
530 March 2011  Fiehn_GC_2010 
119 July 2007 MS-TOFVAR5Reference Substance
919 June 2014 MS-TOFVAR5 
219 July 2007 MS-TOFMDN35Reference Substance
319 July 2007 MS-TOFVAR5Reference Substance
7 spectrum(a)
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Spectrum Details

analytePiperidine-2-carboxylic acid (1TMS)
analyte InChIInChI=1S/C9H19NO2Si/c1-13(2,3)12-9(11)8-6-4-5-7-10-8/h8,10H,4-7H2,1-3H3
analyte mass201.34
chromatogram6037hf_56
citation 
authorsBoelling C, Liebig F, Erban A, Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date19 July 2007
metabolite role 
retention time (sec)345.68
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)84
maximal intensity43,583
mass-intensity-peaks cardinality360 intensities
minimal m/z45
maximal m/z988
download JCAMP DXSpectrumJcampDx.ashx?id=39078b7b-88c3-4544-9de0-ec8891b28aaa
download MSPSpectrumMsp.ashx?id=39078b7b-88c3-4544-9de0-ec8891b28aaa

GC-Method

nameMDN35
citationKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
attributetextdetails
deconvolutionChromaTOFBASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detectorMS-TOFm/z = 70-600; scans:20/s;
extractionchloroform:dH2O (2:1; v/v); chloroform (20°C); dH2O (4°C)
ion sourceEI70eV
RIFAME, d6-CholesteroleFAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separationGCCOLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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