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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
522 January 2005 MS-QUADM[ROE] 
612 October 2005 MS-TRAPM[BAR] 
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
chromatogram10300xx_41
citationNA
authorsKopka 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 date05 June 2013
metabolite role 
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1,830.28 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity1,196,156
mass-intensity-peaks cardinality394 intensities
minimal m/z60
maximal m/z543
download JCAMP DXSpectrumJcampDx.ashx?id=300758d5-a8ac-4a01-a8c0-980d1e6d1d2e
download MSPSpectrumMsp.ashx?id=300758d5-a8ac-4a01-a8c0-980d1e6d1d2e

GC-Method

nameMRI_2013
citation 
no method details available

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