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Tryptamine, 5-hydroxy- (4TMS)

 

Replica Mass Spectra of Tryptamine, 5-hydroxy- (4TMS)

replicalib entry datedetectionmethodspecies
101 May 2001 MS-TOFM[EIGTMS]Solanum tuberosum
201 September 2001 MS-QuadM[2]Standard
928 August 2012  MassBank GC 2010 Ara 
312 May 2005  M[NIST] 
828 August 2012  MassBank GC 2010 Tsujimoto 
630 March 2011  Fiehn_GC_2010 
1005 June 2013  MRI_2013 
728 August 2012  MassBank GC 2010 Kusano 
8 spectrum(a)
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Spectrum Details

analyteTryptamine, 5-hydroxy- (4TMS)
analyte InChIInChI=1S/C22H44N2OSi4/c1-26(2,3)23-18-19(15-16-24(27(4,5)6)28(7,8)9)21-17-20(13-14-22(21)23)25-29(10,11)12/h13-14,17-18H,15-16H2,1-12H3
analyte mass464.94
chromatogram2114BV56
citationSchauer N, Steinhauser D, Strelkov S, Schomburg D, Allison G, Moritz T, Lundgren K, Roessner-Tunali U, Forbes MG, Willmitzer L, Fernie AR, Kopka J (2005) FEBS Letters 579, 1332-1337
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 April 2002
metabolite roleMETB
retention time (sec)2,114.82
retention index (VAR5 method, n-alkanes C10–C36)2,471.94 (predicted, according to Strehmel, N. et.al)
base peak (m/z)174
maximal intensity999
mass-intensity-peaks cardinality51 intensities
minimal m/z44
maximal m/z465
download JCAMP DXSpectrumJcampDx.ashx?id=d8e1ab3b-bac2-4d48-9a31-f5b8e73f7342
download MSPSpectrumMsp.ashx?id=d8e1ab3b-bac2-4d48-9a31-f5b8e73f7342

GC-Method

nameM[2]
citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
attributetextdetails
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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