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Mannitol (6TMS)

 

Replica Mass Spectra of Mannitol (6TMS)

replicalib entry datedetectionmethodspecies
2503 November 2010  Schomburg_GC_2010 
101 December 2003 MS-QuadM[2]Standard
212 May 2005  M[NIST] 
301 May 2001 MS-TOFM[EIGTMS]Standard Addition
401 July 2001 MS-QuadM[2]Standard
622 February 2005 MS-TOFM[STR] 
701 November 2001 MS-TOFM[EIGTMS]Corynebacterium glutamicum
812 May 2005  M[NIST] 
919 July 2007 MS-TOFVAR5Reference Substance
1019 July 2007 MS-TOFVAR5Reference Substance
25 spectrum(a)
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Spectrum Details

analyteMannitol (6TMS)
analyte InChIInChI=1S/C24H62O6Si6/c1-31(2,3)25-19-21(27-33(7,8)9)23(29-35(13,14)15)24(30-36(16,17)18)22(28-34(10,11)12)20-26-32(4,5)6/h21-24H,19-20H2,1-18H3/t21-,22-,23-,24-/m1/s1
analyte mass615.26
chromatogramNA(_43)
citation 
authorsMoritz T, Umea Plant Science Centre, Department of Forest Genetics and Plant Physiology, Swedish University of Agricultural Sciences, SE-901 83 Umea, Sweden
lib entry date25 January 2005
metabolite roleMETB
retention time (sec)338.3
retention index (VAR5 method, n-alkanes C10–C36)1,916 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality150 intensities
minimal m/z52
maximal m/z423
download JCAMP DXSpectrumJcampDx.ashx?id=77f49787-52c9-484d-9134-5a41c6e1629f
download MSPSpectrumMsp.ashx?id=77f49787-52c9-484d-9134-5a41c6e1629f

GC-Method

nameM[MOR]
citationGullberg J, Jonsson P, Nordström A, Sjöström M, Moritz T (2004) Anal Biochem 331, 283-295
attributetextdetails
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:NA; SMOOTHING:NA; WIDTH:2; SN:>10
derivatizationMEOX; TMSMETHOXYAMINATION: 60min60°C, 960min20°C; SILYLATION:>60min40°C
detectorMS-TOFm/z:50-800; SCANS:30/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extractionmethanol:chloroform:water (3:1:1; v/v/v) 15min at 60°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningnone 
RIALKANEC12, C13, C14, C15, C16, C17, C18, C19, C20, C21, C22, C23, C24, C25
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 10m, ID:0.18mm, DF:0.18µm, DB-5-MS (J&W Scientific, Folsom, CA, USA); PROGRAM: iso 2min at 70°C, ramp 40°C/min, iso 1min at 320°C; FLOW:Helium, 1.0ml/min: INJECTION:1µL, splitless, 270°C; TRANSFER:250°C; IONSOURCE:200°C

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