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Citric acid (4TMS)


Replica Mass Spectra of Citric acid (4TMS)

replicalib entry datedetectionmethodspecies
101 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
201 September 2001 MS-QuadM[2]Standard Addition
301 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
401 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
512 May 2005  M[NIST] 
612 May 2005  M[NIST] 
711 September 2005  M[FAME4090]Standard
3328 August 2012  MassBank GC 2010 Kusano 
811 September 2005  M[FAME4090]Standard
1011 September 2005  M[FAME4090]Standard
32 spectrum(a)
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Spectrum Details

analyteCitric acid (4TMS)
analyte InChIInChI=1S/C18H40O7Si4/c1-26(2,3)22-15(19)13-18(25-29(10,11)12,17(21)24-28(7,8)9)14-16(20)23-27(4,5)6/h13-14H2,1-12H3
analyte mass480.85
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-METB
retention time (sec)321
retention index (VAR5 method, n-alkanes C10–C36)1.805,92 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality179 intensities
minimal m/z53
maximal m/z468
download JCAMP DXSpectrumJcampDx.ashx?id=0852ed37-af61-448d-92b4-3eb01d50710b
download MSPSpectrumMsp.ashx?id=0852ed37-af61-448d-92b4-3eb01d50710b


citationGullberg J, Jonsson P, Nordström A, Sjöström M, Moritz T (2004) Anal Biochem 331, 283-295
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 
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

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