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Raffinose (11TMS)

 

Replica Mass Spectra of Raffinose (11TMS)

replicalib entry datedetectionmethodspecies
1522 January 2010 MS-TOFVAR5 
101 May 2001 MS-TOFM[EIGTMS]Standard Addition
1722 January 2010 MS-TOFVAR5 
226 November 2004  M[FAME4090]Standard
301 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
501 August 2001 MS-QuadM[2]Standard
612 June 2003 MS-QuadM[2]Arabidopsis thaliana
811 September 2005  M[FAME4090]Standard
911 September 2005  M[FAME4090]Standard
2028 August 2012  MassBank GC 2010 Tsujimoto 
18 spectrum(a)
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Spectrum Details

analyteRaffinose (11TMS)
analyte InChIInChI=1S/C51H120O16Si11/c1-68(2,3)53-35-39-42(61-72(13,14)15)44(63-74(19,20)21)46(65-76(25,26)27)49(56-39)52-34-38-41(60-71(10,11)12)45(64-75(22,23)24)47(66-77(28,29)30)50(57-38)59-51(37-55-70(7,8)9)48(67-78(31,32)33)43(62-73(16,17)18)40(58-51)36-54-69(4,5)6/h38-50H,34-37H2,1-33H3
analyte mass1,298.43
chromatogramNA(_46)
citationStrelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861
authorsStrelkov S, University of Cologne, CUBIC - Institute of Biochemistry, Department Prof. Schomburg, Zuelpicher Str. 47, D-50674 Cologne, Germany
lib entry date22 February 2005
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)3.371,47 (predicted, according to Strehmel, N. et.al)
base peak (m/z)361
maximal intensity999
mass-intensity-peaks cardinality201 intensities
minimal m/z43
maximal m/z481
download JCAMP DXSpectrumJcampDx.ashx?id=af87232b-853e-45b8-8d69-729e1247f0c2
download MSPSpectrumMsp.ashx?id=af87232b-853e-45b8-8d69-729e1247f0c2

GC-Method

nameM[STR]
citationStrelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861
attributetextdetails
detectorMS-TOF 
ion sourceEI70eV
RIALKANEC10, C12, C15, C19, C22, C28, C32, C36
separationGCDB-5MS column (30m x 0.25µm) from J&W Scientific (Folsom, USA)

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