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Glutaric acid, 2-hydroxy- (3TMS)


Replica Mass Spectra of Glutaric acid, 2-hydroxy- (3TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
212 May 2005  M[NIST] 
312 May 2005  M[NIST] 
419 July 2007 MS-TOFVAR5Reference Substance
522 February 2005 MS-TOFM[STR] 
612 October 2005 MS-TRAPM[BAR] 
819 July 2007 MS-TOFMDN35Reference Substance
1003 November 2010  Schomburg_GC_2010 
901 November 2001 MS-QuadM[2]Standard
9 spectrum(a)
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Spectrum Details

analyteGlutaric acid, 2-hydroxy- (3TMS)
analyte InChIInChI=1S/C14H32O5Si3/c1-20(2,3)17-12(14(16)19-22(7,8)9)10-11-13(15)18-21(4,5)6/h12H,10-11H2,1-9H3/t12-/m1/s1
analyte mass364.66
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 May 2001
metabolite roleMETB
retention time (sec)593.8
retention index (VAR5 method, n-alkanes C10–C36)1.567,31 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality67 intensities
minimal m/z70
maximal m/z351
download JCAMP DXSpectrumJcampDx.ashx?id=328c1ff6-f47e-4c0a-990f-9b19d914909c
download MSPSpectrumMsp.ashx?id=328c1ff6-f47e-4c0a-990f-9b19d914909c


citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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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