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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] 
701 June 2001 MS-TOFM[EIGTMS]Alyssum lesbiacum
911 September 2005  M[FAME4090]Standard
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
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 date16 September 2004
metabolite roleMETB
retention time (sec)1,219.08
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 cardinality157 intensities
minimal m/z41
maximal m/z281
download JCAMP DXSpectrumJcampDx.ashx?id=30ebd647-c4f0-465f-81f4-4b2f6743dbac
download MSPSpectrumMsp.ashx?id=30ebd647-c4f0-465f-81f4-4b2f6743dbac


citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>45min37°C
detectorMS-Quadm/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, 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:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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