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Allantoin (5TMS)

 

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Replica Mass Spectra of Allantoin (5TMS)

replica	lib entry date	detection	method	species
1	01 May 2001	MS-TOF	M[EIGTMS]	Solanum tuberosum
2	01 November 2001	MS-Quad	M[2]	Standard
7	30 March 2011		Fiehn_GC_2010
8	28 August 2012		MassBank GC 2010 Kusano
3	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
5	15 March 2005	MS-TOF	M[6]	Reference Substance
9	28 August 2012		MassBank GC 2010 Tsujimoto
6	15 March 2005	MS-TOF	M[6]	Reference Substance
8 spectrum(a)

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Spectrum Details

analyte	Allantoin (5TMS)
analyte InChI	InChI=1S/C19H46N4O3Si5/c1-27(2,3)20-16(17(24)22(18(20)25)29(7,8)9)21(28(4,5)6)19(26)23(30(10,11)12)31(13,14)15/h16H,1-15H3
analyte mass	519.02
chromatogram	NA(_49)
citation
authors	Roessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date	19 January 2005
metabolite role	METB
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	1,897 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	273 intensities
minimal m/z	70
maximal m/z	525
download JCAMP DX	SpectrumJcampDx.ashx?id=d943c34e-3a28-43a2-9cbc-a05ab6a7a506
download MSP	SpectrumMsp.ashx?id=d943c34e-3a28-43a2-9cbc-a05ab6a7a506

GC-Method

name	M[ROE]
citation	U. Roessner, J. Patterson, M. Forbes, G. Fincher, P. Langridge, A. Bacic, Plant Physiology 142 (2006) 1087

attribute	text	details
deconvolution	Xcalibur program
derivatization	MEOX; MSTFA	METHOXYAMINATION: 120min at 37°C; SILYLATION: 30min at 37°C
detector	MS-QUAD	m/z = 70-600; scans:2/s; DSQ quadrupole mass spectrometer
extraction	methanol:chloroform
ion source	EI	70eV
RI	ALKANE	C12, C15, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, VF-5MS (Varian, Darmstadt, Germany); PROGRAM:injection at 70°C, ramp 1°C/min to 76°C, ramp 6°C/min to 330°C, iso at 330°C for 10min; FLOW:Helium, 1mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:280°C; IONSOURCE:250°C

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