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

Quinic acid, 3-caffeoyl-, trans- (6TMS)

 

Replica Mass Spectra of Quinic acid, 3-caffeoyl-, trans- (6TMS)

replicalib entry datedetectionmethodspecies
101 September 2001 MS-QuadM[2]Standard Addition
219 July 2007 MS-TOFMDN35Reference Substance
315 March 2005 MS-TOFM[6]Reference Substance
1817 March 2010 MS-TOFVAR5Brassica oleracea
1930 March 2011  Fiehn_GC_2010 
2028 August 2012  MassBank GC 2010 Tsujimoto 
619 July 2007 MS-TOFVAR5Reference Substance
701 May 2001 MS-TOFM[EIGTMS]Standard
815 March 2005 MS-TOFM[6]Reference Substance
919 January 2005 MS-QUADM[ROE] 
14 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyteQuinic acid, 3-caffeoyl-, trans- (6TMS)
analyte InChIInChI=1S/C34H66O9Si6/c1-44(2,3)38-27-21-19-26(23-28(27)39-45(4,5)6)20-22-31(35)37-29-24-34(43-49(16,17)18,33(36)42-48(13,14)15)25-30(40-46(7,8)9)32(29)41-47(10,11)12/h19-23,29-30,32H,24-25H2,1-18H3/b22-20+/t29-,30-,32+,34-/m1/s1
analyte mass787.4
chromatogram3
citation 
authorsSchauer N, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date11 September 2005
metabolite roleMETB
retention time (sec)1,009.13
retention index (VAR5 method, n-alkanes C10–C36)3.107,77 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality262 intensities
minimal m/z70
maximal m/z578
download JCAMP DXSpectrumJcampDx.ashx?id=2cf6944d-7d97-4763-93ec-314715500227
download MSPSpectrumMsp.ashx?id=2cf6944d-7d97-4763-93ec-314715500227

GC-Method

nameM[FAME4090]
citation 
attributetextdetails
ion sourceEI 

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