How would you rate the quality of this mass spectrum?
poor, not helpful 
 outstanding, most helpful.
This spectrum was 0 times rated; on average=0.0

Aspartic acid (2TMS)


Replica Mass Spectra of Aspartic acid (2TMS)

replicalib entry datedetectionmethodspecies
222 February 2005 MS-TOFM[STR] 
1303 November 2010  Schomburg_GC_2010 
1203 December 2009 MS-TOFVAR5Arabidopsis thaliana
722 February 2005 MS-TOFM[STR] 
819 July 2007 MS-TOFVAR5Reference Substance
901 November 2001 MS-TOFM[EIGTMS]Corynebacterium glutamicum
1019 July 2007 MS-TOFVAR5Reference Substance
1101 May 2001 MS-TOFM[EIGTMS]Arabidopsis thaliana
1430 March 2011  Fiehn_GC_2010 
9 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyteAspartic acid (2TMS)
analyte InChIInChI=1S/C10H23NO4Si2/c1-16(2,3)14-9(12)7-8(11)10(13)15-17(4,5)6/h8H,7,11H2,1-6H3/t8-/m1/s1
analyte mass277.47
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 September 2001
metabolite roleMETB
retention time (sec)516.18
retention index (VAR5 method, n-alkanes C10–C36)1,420.92 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality63 intensities
minimal m/z70
maximal m/z263
download JCAMP DXSpectrumJcampDx.ashx?id=5609e00d-2662-43f7-8584-b076c343b048
download MSPSpectrumMsp.ashx?id=5609e00d-2662-43f7-8584-b076c343b048


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

comments on this mass spectrum

Post a Comment
service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved