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Glucoheptonic acid (7TMS)

 

Replica Mass Spectra of Glucoheptonic acid (7TMS)

replicalib entry datedetectionmethodspecies
126 November 2004  M[FAME4090]Standard
219 July 2007 MS-TOFVAR5Reference Substance
530 March 2011  Fiehn_GC_2010 
325 January 2005 MS-TOFM[MOR] 
419 July 2007 MS-TOFMDN35Reference Substance
5 spectrum(a)
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Spectrum Details

analyteGlucoheptonic acid (7TMS)
analyte InChIInChI=1S/C28H70O8Si7/c1-37(2,3)30-22-23(31-38(4,5)6)24(32-39(7,8)9)25(33-40(10,11)12)26(34-41(13,14)15)27(35-42(16,17)18)28(29)36-43(19,20)21/h23-27H,22H2,1-21H3/t23-,24+,25-,26-,27-/m1/s1
analyte mass731.45
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)2,248.12 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity810,663
mass-intensity-peaks cardinality404 intensities
minimal m/z60
maximal m/z550
download JCAMP DXSpectrumJcampDx.ashx?id=d5012e09-deae-4763-bbef-6e1d67e7d1a4
download MSPSpectrumMsp.ashx?id=d5012e09-deae-4763-bbef-6e1d67e7d1a4

GC-Method

nameMRI_2013
citation 
no method details available

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