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myo-Inositol-1-phosphate (7TMS)

 

Replica Mass Spectra of myo-Inositol-1-phosphate (7TMS)

replicalib entry datedetectionmethodspecies
101 November 2001 MS-TOFM[EIGTMS]Corynebacterium glutamicum
312 May 2005  M[NIST] 
401 October 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
511 September 2005  M[FAME4090]Standard
601 May 2001 MS-TOFM[EIGTMS]Standard Addition
812 October 2005 MS-TRAPM[BAR] 
901 November 2001 MS-QuadM[2]Standard
1012 May 2005  M[NIST] 
8 spectrum(a)
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Spectrum Details

analytemyo-Inositol-1-phosphate (7TMS)
analyte InChIInChI=1S/C27H69O9PSi7/c1-38(2,3)30-23-22(29-37(28,35-43(16,17)18)36-44(19,20)21)24(31-39(4,5)6)26(33-41(10,11)12)27(34-42(13,14)15)25(23)32-40(7,8)9/h22-27H,1-21H3/t22-,23-,24-,25+,26-,27-/m1/s1
analyte mass765.4
chromatogramNA(_49)
citation 
authorsRoessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date22 January 2005
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)2,414.29 (predicted, according to Strehmel, N. et.al)
base peak (m/z)318
maximal intensity999
mass-intensity-peaks cardinality426 intensities
minimal m/z70
maximal m/z589
download JCAMP DXSpectrumJcampDx.ashx?id=b54d4770-6111-41e9-8db0-4fdb88335b4d
download MSPSpectrumMsp.ashx?id=b54d4770-6111-41e9-8db0-4fdb88335b4d

GC-Method

nameM[ROE]
citationU. Roessner, J. Patterson, M. Forbes, G. Fincher, P. Langridge, A. Bacic, Plant Physiology 142 (2006) 1087
attributetextdetails
deconvolutionXcalibur program 
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; SILYLATION: 30min at 37°C
detectorMS-QUADm/z = 70-600; scans:2/s; DSQ quadrupole mass spectrometer
extractionmethanol:chloroform 
ion sourceEI70eV
RIALKANEC12, C15, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, VF-5MS (Varian, Darmstadt, Germany); PROGRAM:injection at 70°C, ramp 1°C/min to 76°C, ramp 6°C/min to 330°C, iso at 330°C for 10min; FLOW:Helium, 1mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:280°C; IONSOURCE:250°C

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