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Salicylic acid (2TMS)


Replica Mass Spectra of Salicylic acid (2TMS)

replicalib entry datedetectionmethodspecies
2503 November 2010  Schomburg_GC_2010 
129 November 2003 MS-QuadM[2]Standard
201 December 2003 MS-QuadM[2]Standard
301 February 2002 MS-QuadM[2]Standard
512 May 2005  M[NIST] 
911 September 2005  M[FAME4090]Standard
1016 September 2004 MS-QuadM[2]Reference Substance
1101 February 2005 MS-TOFM[6]Reference Substance
1212 May 2005  M[NIST] 
2805 June 2013  MRI_2013 
22 spectrum(a)
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Spectrum Details

analyteSalicylic acid (2TMS)
analyte InChIInChI=1S/C13H22O3Si2/c1-17(2,3)15-12-10-8-7-9-11(12)13(14)16-18(4,5)6/h7-10H,1-6H3
analyte mass282.48
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 June 2001
metabolite roleMETB
retention time (sec)561.72
retention index (VAR5 method, n-alkanes C10–C36)1,507.85 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality378 intensities
minimal m/z72
maximal m/z596
download JCAMP DXSpectrumJcampDx.ashx?id=4f512f48-263f-4195-b731-2a73d01f56ba
download MSPSpectrumMsp.ashx?id=4f512f48-263f-4195-b731-2a73d01f56ba


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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