GOLM METABOLOME DATABASE
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, 4-amino- (2TMS)

 

Replica Mass Spectra of Butanoic acid, 4-amino- (2TMS)

replicalib entry datedetectionmethodspecies
219 July 2007 MS-TOFMDN35Reference Substance
319 January 2005 MS-QUADM[ROE] 
401 May 2001 MS-TOFM[EIGTMS]Standard Addition
501 November 2001 MS-TOFM[EIGTMS]Standard
619 July 2007 MS-TOFVAR5Reference Substance
801 November 2001 MS-QuadM[2]Standard
919 July 2007 MS-TOFVAR5Reference Substance
1205 June 2013  MRI_2013 
1019 July 2007 MS-TOFMDN35Reference Substance
1111 September 2005  M[FAME4090]Standard
10 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyteButanoic acid, 4-amino- (2TMS)
analyte InChIInChI=1S/C10H25NO2Si2/c1-14(2,3)11-9-7-8-10(12)13-15(4,5)6/h11H,7-9H2,1-6H3
analyte mass247.48
chromatogramNA(_43)
citation 
authorsMoritz T, Umea Plant Science Centre, Department of Forest Genetics and Plant Physiology, Swedish University of Agricultural Sciences, SE-901 83 Umea, Sweden
lib entry date25 January 2005
metabolite roleMETB
retention time (sec)222.8
retention index (VAR5 method, n-alkanes C10–C36)1.297,95 (predicted, according to Strehmel, N. et.al)
base peak (m/z)102
maximal intensity999
mass-intensity-peaks cardinality99 intensities
minimal m/z52
maximal m/z780
download JCAMP DXSpectrumJcampDx.ashx?id=e1a98d62-a6a0-4f1a-840a-636092f5fc94
download MSPSpectrumMsp.ashx?id=e1a98d62-a6a0-4f1a-840a-636092f5fc94

GC-Method

nameM[MOR]
citationGullberg J, Jonsson P, Nordström A, Sjöström M, Moritz T (2004) Anal Biochem 331, 283-295
attributetextdetails
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:NA; SMOOTHING:NA; WIDTH:2; SN:>10
derivatizationMEOX; TMSMETHOXYAMINATION: 60min60°C, 960min20°C; SILYLATION:>60min40°C
detectorMS-TOFm/z:50-800; SCANS:30/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extractionmethanol:chloroform:water (3:1:1; v/v/v) 15min at 60°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningnone 
RIALKANEC12, C13, C14, C15, C16, C17, C18, C19, C20, C21, C22, C23, C24, C25
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 10m, ID:0.18mm, DF:0.18µm, DB-5-MS (J&W Scientific, Folsom, CA, USA); PROGRAM: iso 2min at 70°C, ramp 40°C/min, iso 1min at 320°C; FLOW:Helium, 1.0ml/min: INJECTION:1µL, splitless, 270°C; TRANSFER:250°C; IONSOURCE:200°C

comments on this mass spectrum

Post a Comment
Name:
 
Website:  
Email:
Comments:
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
Top