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, 2,4-diamino- (4TMS)

 

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

replicalib entry datedetectionmethodspecies
119 July 2007 MS-TOFVAR5Reference Substance
505 June 2013  MRI_2013 
403 November 2010  Schomburg_GC_2010 
326 November 2004  M[FAME4090]Standard
4 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyteButanoic acid, 2,4-diamino- (4TMS)
analyte InChIInChI=1S/C16H42N2O2Si4/c1-21(2,3)17-15(16(19)20-24(10,11)12)13-14-18(22(4,5)6)23(7,8)9/h15,17H,13-14H2,1-12H3
analyte mass406.86
chromatogram6044hf_32
citation 
authorsBoelling C, Liebig F, Erban A, Kopka 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 date19 July 2007
metabolite roleMETB
retention time (sec)505.63
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity879,541
mass-intensity-peaks cardinality547 intensities
minimal m/z45
maximal m/z1,000
download JCAMP DXSpectrumJcampDx.ashx?id=f399b0b4-f3bc-4c11-8da1-c3d49c2137b8
download MSPSpectrumMsp.ashx?id=f399b0b4-f3bc-4c11-8da1-c3d49c2137b8

GC-Method

nameMDN35
citationKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
attributetextdetails
deconvolutionChromaTOFBASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detectorMS-TOFm/z = 70-600; scans:20/s;
extractionchloroform:dH2O (2:1; v/v); chloroform (20°C); dH2O (4°C)
ion sourceEI70eV
RIFAME, d6-CholesteroleFAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separationGCCOLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

comments on this mass spectrum

Post a Comment
Name:
 
Website:
Email:
Comments:
service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved
Top