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

Butanoic acid, 2-amino- (2TMS)


Replica Mass Spectra of Butanoic acid, 2-amino- (2TMS)

replicalib entry datedetectionmethodspecies
122 February 2005 MS-TOFM[STR] 
215 March 2005 MS-TOFM[6]Reference Substance
324 October 2003 MS-QuadM[2]Standard
412 May 2005  M[NIST] 
619 July 2007 MS-TOFVAR5Reference Substance
812 May 2005  M[NIST] 
1328 August 2012  MassBank GC 2010 Tsujimoto 
922 February 2005 MS-TOFM[STR] 
1019 July 2007 MS-TOFMDN35Reference Substance
1112 May 2005  M[NIST] 
11 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyteButanoic acid, 2-amino- (2TMS)
analyte InChIInChI=1S/C10H25NO2Si2/c1-8-9(11-14(2,3)4)10(12)13-15(5,6)7/h9,11H,8H2,1-7H3/t9-/m1/s1
analyte mass247.48
authorsLiebig F, Erban A, 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 February 2005
metabolite roleMETB
retention time (sec)599.65
retention index (VAR5 method, n-alkanes C10–C36)1.160,29 (predicted, according to Strehmel, N. et.al)
base peak (m/z)130
maximal intensity999
mass-intensity-peaks cardinality90 intensities
minimal m/z70
maximal m/z247
download JCAMP DXSpectrumJcampDx.ashx?id=fcf874bf-02b1-44c1-a06b-3abe5a42b32b
download MSPSpectrumMsp.ashx?id=fcf874bf-02b1-44c1-a06b-3abe5a42b32b


citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatizationMEOX; TMSMethoxyamination:90min40°C; Trimethylsilylation:45min40°C
detectorMS-TOFMZ:70-600; SCANS:20/s; Pegasus III 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, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (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

comments on this mass spectrum

Post a Comment
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved