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

Heptacosanoic acid, n- (1TMS)

 

Replica Mass Spectra of Heptacosanoic acid, n- (1TMS)

replicalib entry datedetectionmethodspecies
403 November 2010  Schomburg_GC_2010 
122 February 2005 MS-TOFM[STR] 
222 February 2005 MS-TOFM[STR] 
3 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyteHeptacosanoic acid, n- (1TMS)
analyte InChIInChI=1S/C30H62O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32-33(2,3)4/h5-29H2,1-4H3
analyte mass482.9
chromatogram1180EC85
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 June 2001
metabolite roleMETB
retention time (sec)1,132.08
retention index (VAR5 method, n-alkanes C10–C36)3,120.42 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality188 intensities
minimal m/z70
maximal m/z484
download JCAMP DXSpectrumJcampDx.ashx?id=8fc04715-38d5-43e1-b3dd-ce1891f95ca9
download MSPSpectrumMsp.ashx?id=8fc04715-38d5-43e1-b3dd-ce1891f95ca9

GC-Method

nameM[EIGTMS]
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
attributetextdetails
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
Name:
 
Website:
Email:
Comments:
service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved
Top