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

Orotic acid (3TMS)

 

Replica Mass Spectra of Orotic acid (3TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
201 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
301 February 2005 MS-TOFM[6]Reference Substance
1630 March 2011  Fiehn_GC_2010 
419 July 2007 MS-TOFVAR5Reference Substance
512 May 2005  M[NIST] 
701 October 2001 MS-TOFM[EIGTMS]Standard Addition
1503 November 2010  Schomburg_GC_2010 
1730 March 2011  Fiehn_GC_2010 
819 July 2007 MS-TOFMDN35Reference Substance
17 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyteOrotic acid (3TMS)
analyte InChIInChI=1S/C14H28N2O4Si3/c1-21(2,3)15-11(13(18)20-23(7,8)9)10-12(17)16(14(15)19)22(4,5)6/h10H,1-9H3
analyte mass372.64
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)308.1
retention index (VAR5 method, n-alkanes C10–C36)1.739,99 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality191 intensities
minimal m/z53
maximal m/z374
download JCAMP DXSpectrumJcampDx.ashx?id=568263e2-4165-476f-acfe-47ec484708e8
download MSPSpectrumMsp.ashx?id=568263e2-4165-476f-acfe-47ec484708e8

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