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Maltotriitol (12TMS)

 

Replica Mass Spectra of Maltotriitol (12TMS)

replicalib entry datedetectionmethodspecies
630 March 2011  Fiehn_GC_2010 
419 July 2007 MS-TOFMDN35Reference Substance
510 June 2009 MS-TOFVAR5Reference Substance
3 spectrum(a)
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Spectrum Details

analyteMaltotriitol (12TMS)
analyte InChIInChI=1S/C54H130O16Si12/c1-71(2,3)55-37-41-45(61-54-52(70-82(34,35)36)50(68-80(28,29)30)47(65-77(19,20)21)42(60-54)38-56-72(4,5)6)49(67-79(25,26)27)51(69-81(31,32)33)53(59-41)62-46(43(63-75(13,14)15)39-57-73(7,8)9)48(66-78(22,23)24)44(64-76(16,17)18)40-58-74(10,11)12/h41-54H,37-40H2,1-36H3/t41?,42-,43-,44+,45-,46?,47-,48-,49?,50+,51?,52-,53?,54?/m0/s1
analyte mass1,372.63
chromatogram4083EA25
citation 
authorsFiehn O, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date26 November 2004
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)204
maximal intensity999
mass-intensity-peaks cardinality242 intensities
minimal m/z85
maximal m/z475
download JCAMP DXSpectrumJcampDx.ashx?id=bf94a687-f13a-4cfb-affd-1bf0466fb296
download MSPSpectrumMsp.ashx?id=bf94a687-f13a-4cfb-affd-1bf0466fb296

GC-Method

nameM[FAME4090]
citation 
attributetextdetails
ion sourceEI 

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