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Details of Quinic acid, 5-caffeoyl-, trans- (6TMS)

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Role Analyte
nameQuinic acid, 5-caffeoyl-, trans- (6TMS)
MPIMP IDA319001
isotopomerambient
formulaC34H66O9Si6
molecular mass787.396
monoisotopic mass786.33225
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
InChIKeyZUMPKHAQJVFOSF-UYAFOJLTSA-N
substructure TMS6
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,177.08
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27aa690cf2-1ec3-4e0a-99cf-dd24992eee9a%27)

Synonyms of Quinic acid, 5-caffeoyl-, trans- (6TMS)

Metabolite mapped to Quinic acid, 5-caffeoyl-, trans- (6TMS)

Reference spectra of Quinic acid, 5-caffeoyl-, trans- (6TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM MDN35Reference Substance
27/19/2007 11:16:30 AM VAR5Reference Substance
39/1/2001 12:00:00 AM M[2]Standard Addition
83/17/2010 4:47:46 PM VAR5Brassica oleracea
73/17/2010 9:36:06 AM VAR5Solanum tuberosum
42/1/2005 12:00:00 AM M[6]Reference Substance
510/1/2001 12:00:00 AM M[EIGTMS]Standard
65/1/2001 12:00:00 AM M[EIGTMS]Standard
8 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/9/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Kopka J., Hummel J.
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