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Erythronic acid (4TMS)


Replica Mass Spectra of Erythronic acid (4TMS)

replicalib entry datedetectionmethodspecies
101 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
211 September 2005  M[FAME4090]Standard
301 October 2001 MS-TOFM[EIGTMS]Standard Addition
519 January 2005 MS-QUADM[ROE] 
701 December 2002 MS-QuadM[2]Medicago truncatula Gaertn.
801 May 2001 MS-TOFM[EIGTMS]Solanum tuberosum
1001 December 2002 MS-QuadM[2]Medicago truncatula Gaertn.
1217 March 2010 MS-TOFVAR5Solanum tuberosum
1101 September 2001 MS-QuadM[2]Standard Addition
2210 December 2010 MS-TOFVAR5 
11 spectrum(a)
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Spectrum Details

analyteErythronic acid (4TMS)
analyte InChIInChI=1S/C16H40O5Si4/c1-22(2,3)18-13-14(19-23(4,5)6)15(20-24(7,8)9)16(17)21-25(10,11)12/h14-15H,13H2,1-12H3/t14-,15-/m1/s1
analyte mass424.83
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900| [B10]
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 roleMST
retention time (sec)576.63
retention index (VAR5 method, n-alkanes C10–C36)1.530,36 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality77 intensities
minimal m/z70
maximal m/z319
download JCAMP DXSpectrumJcampDx.ashx?id=2b9ab718-3c27-4e36-b15d-2b9e642c1f2a
download MSPSpectrumMsp.ashx?id=2b9ab718-3c27-4e36-b15d-2b9e642c1f2a


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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