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Pinitol, D- (5TMS)

 

Replica Mass Spectra of Pinitol, D- (5TMS)

replicalib entry datedetectionmethodspecies
101 February 2005 MS-TOFM[6]Reference Substance
208 December 2003 MS-QuadM[2]Standard
301 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
805 June 2013  MRI_2013 
522 January 2005 MS-QUADM[ROE] 
701 May 2001 MS-TOFM[EIGTMS]Arabidopsis thaliana
6 spectrum(a)
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Spectrum Details

analytePinitol, D- (5TMS)
analyte InChIInChI=1S/C22H54O6Si5/c1-23-17-18(24-29(2,3)4)20(26-31(8,9)10)22(28-33(14,15)16)21(27-32(11,12)13)19(17)25-30(5,6)7/h17-22H,1-16H3/t17?,18-,19+,20-,21-,22?/m1/s1
analyte mass555.09
chromatogramNA(_27)
citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
authorsBarsch A, Puehse M, Persicke M, Bielefeld University, Department of Molecular Phytopathology (Prof. Niehaus K), D-33501 Bielefeld, Germany
lib entry date12 October 2005
metabolite roleMETB
retention time (sec)1,791
retention index (VAR5 method, n-alkanes C10–C36)1,817.76 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality249 intensities
minimal m/z54
maximal m/z539
download JCAMP DXSpectrumJcampDx.ashx?id=147529bd-07ce-449d-aafc-c5a45fa9a629
download MSPSpectrumMsp.ashx?id=147529bd-07ce-449d-aafc-c5a45fa9a629

GC-Method

nameM[BAR]
citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA 
derivatizationMEOX; TMSMethoxyamination:90min37°C; Trimethylsilylation:30min37°C
detectorMS-TRAPMZ:50-550; SCANS:2/s; PolarisQ; Thermo-Finnigan, Dreieich, Germany
extractionmethanol:water (4:1; v/v); 70°C 
ion sourceEI70eV
metabolic inactivationfiltration; liquid nitrogen; lyophilization 
partitioningnone 
RIALKANEC12, C15, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 30m, ID:0.25mm, DF:0.25microm, EQUITY-5, #NA (Supelco, Bellfonte, CA, USA); PROGRAM:iso3min80°C, ramp3°C/min, iso1min300°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 250°C; TRANSFER:250°C; IONSOURCE:200°C

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