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

Benzoic acid, 4-hydroxy- (2TMS)

 

Replica Mass Spectra of Benzoic acid, 4-hydroxy- (2TMS)

replicalib entry datedetectionmethodspecies
101 May 2001 MS-TOFM[EIGTMS]Arabidopsis thaliana
1730 March 2011  Fiehn_GC_2010 
1603 November 2010  Schomburg_GC_2010 
312 May 2005  M[NIST] 
1828 August 2012  MassBank GC 2010 Kusano 
412 May 2005  M[NIST] 
512 May 2005  M[NIST] 
612 May 2005  M[NIST] 
712 May 2005  M[NIST] 
2028 August 2012  MassBank GC 2010 Ara 
19 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyteBenzoic acid, 4-hydroxy- (2TMS)
analyte InChIInChI=1S/C13H22O3Si2/c1-17(2,3)15-12-9-7-11(8-10-12)13(14)16-18(4,5)6/h7-10H,1-6H3
analyte mass282.48
chromatogramNA(_43)
citation 
authorsMoritz T, Umea Plant Science Centre, Department of Forest Genetics and Plant Physiology, Swedish University of Agricultural Sciences, SE-901 83 Umea, Sweden
lib entry date25 January 2005
metabolite roleMETB
retention time (sec)288.5
retention index (VAR5 method, n-alkanes C10–C36)1.631,65 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality152 intensities
minimal m/z50
maximal m/z285
download JCAMP DXSpectrumJcampDx.ashx?id=9d23fc1b-3282-479f-a1d6-29e3a5728137
download MSPSpectrumMsp.ashx?id=9d23fc1b-3282-479f-a1d6-29e3a5728137

GC-Method

nameM[MOR]
citationGullberg J, Jonsson P, Nordström A, Sjöström M, Moritz T (2004) Anal Biochem 331, 283-295
attributetextdetails
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:NA; SMOOTHING:NA; WIDTH:2; SN:>10
derivatizationMEOX; TMSMETHOXYAMINATION: 60min60°C, 960min20°C; SILYLATION:>60min40°C
detectorMS-TOFm/z:50-800; SCANS:30/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extractionmethanol:chloroform:water (3:1:1; v/v/v) 15min at 60°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningnone 
RIALKANEC12, C13, C14, C15, C16, C17, C18, C19, C20, C21, C22, C23, C24, C25
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 10m, ID:0.18mm, DF:0.18µm, DB-5-MS (J&W Scientific, Folsom, CA, USA); PROGRAM: iso 2min at 70°C, ramp 40°C/min, iso 1min at 320°C; FLOW:Helium, 1.0ml/min: INJECTION:1µL, splitless, 270°C; TRANSFER:250°C; IONSOURCE:200°C

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