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Inositol, myo- (6TMS)

 

Replica Mass Spectra of Inositol, myo- (6TMS)

replicalib entry datedetectionmethodspecies
111 September 2005  M[FAME4090]Standard
3305 June 2013  MRI_2013 
301 October 2001 MS-TOFM[EIGTMS]Standard
2603 November 2010  Schomburg_GC_2010 
2503 February 2011 MS-TOFVAR5 
3128 August 2012  MassBank GC 2010 Ara 
401 May 2001 MS-TOFM[EIGTMS]Standard Addition
512 May 2005  M[NIST] 
612 June 2003 MS-QuadM[2]Reference Substance
701 September 2001 MS-QuadM[2]Standard Addition
30 spectrum(a)
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Spectrum Details

analyteInositol, myo- (6TMS)
analyte InChIInChI=1S/C24H60O6Si6/c1-31(2,3)25-19-20(26-32(4,5)6)22(28-34(10,11)12)24(30-36(16,17)18)23(29-35(13,14)15)21(19)27-33(7,8)9/h19-24H,1-18H3/t19-,20-,21-,22+,23-,24-
analyte mass613.24
chromatogram1318EC07
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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 date01 November 2001
metabolite roleMETB
retention time (sec)783.42
retention index (VAR5 method, n-alkanes C10–C36)2,085.26 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality28 intensities
minimal m/z73
maximal m/z432
download JCAMP DXSpectrumJcampDx.ashx?id=32aefa03-a0f4-41c2-a118-28a8a121a73f
download MSPSpectrumMsp.ashx?id=32aefa03-a0f4-41c2-a118-28a8a121a73f

GC-Method

nameM[EIGTMS]
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detectorMS-TOFMZ:70-600; SCANS:6/s; Pegasus II TOF-MS; LECO, St. Joseph, MI, USA
extractionmethanol:water (4:1; v/v); 15min70°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningmethanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning 
RIALKANEC12, C15, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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