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

Caffeic acid, cis- (3TMS)


Replica Mass Spectra of Caffeic acid, cis- (3TMS)

replicalib entry datedetectionmethodspecies
111 September 2005  M[FAME4090]Standard
201 September 2001 MS-QuadM[2]Standard Addition
411 September 2005  M[FAME4090]Standard
519 January 2005 MS-QUADM[ROE] 
1117 March 2010 MS-TOFVAR5Solanum tuberosum
1228 August 2012  MassBank GC 2010 Kusano 
626 November 2004  M[FAME4090]Standard
801 May 2001 MS-TOFM[EIGTMS]Standard
901 May 2001 MS-TOFM[EIGTMS]Solanum tuberosum
9 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyteCaffeic acid, cis- (3TMS)
analyte InChIInChI=1S/C18H32O4Si3/c1-23(2,3)20-16-12-10-15(14-17(16)21-24(4,5)6)11-13-18(19)22-25(7,8)9/h10-14H,1-9H3/b13-11-
analyte mass396.7
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 date15 March 2005
metabolite roleMETB
retention time (sec)1,253.65
retention index (VAR5 method, n-alkanes C10–C36)1,977.6 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality134 intensities
minimal m/z70
maximal m/z400
download JCAMP DXSpectrumJcampDx.ashx?id=1845aabd-e65d-443e-80c5-8304137e5a30
download MSPSpectrumMsp.ashx?id=1845aabd-e65d-443e-80c5-8304137e5a30


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 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved