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Glycylglycine (4TMS)

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Replica Mass Spectra of Glycylglycine (4TMS)

replica	lib entry date	detection	method	species
8	28 August 2012		MassBank GC 2010 Tsujimoto
7	28 August 2012		MassBank GC 2010 Kusano
6	06 May 2011	MS-TOF	VAR5
5	07 April 2011	MS-TOF	VAR5
2	12 February 2010	MS-TOF	VAR5
9	28 August 2012		MassBank GC 2010 Ara
1	26 November 2004		M[FAME4090]	Standard
4	06 April 2011	MS-TOF	VAR5
8 spectrum(a)

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Spectrum Details

analyte	Glycylglycine (4TMS)
analyte InChI	InChI=1S/C16H40N2O3Si4/c1-22(2,3)17(14-16(20)21-25(10,11)12)15(19)13-18(23(4,5)6)24(7,8)9/h13-14H2,1-12H3
analyte mass	420.84
chromatogram	10294eg_23
citation	NA
authors	Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date	12 March 2010
metabolite role
retention time (sec)	586.18
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	174
maximal intensity	159,819
mass-intensity-peaks cardinality	371 intensities
minimal m/z	85
maximal m/z	500
download JCAMP DX	SpectrumJcampDx.ashx?id=f351e210-6d82-4b10-92dc-adc7cbe1c133
download MSP	SpectrumMsp.ashx?id=f351e210-6d82-4b10-92dc-adc7cbe1c133

GC-Method

name	MDN35
citation	Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany

attribute	text	details
deconvolution	ChromaTOF	BASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatization	MEOX; MSTFA	METHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detector	MS-TOF	m/z = 70-600; scans:20/s;
extraction	chloroform:dH2O	(2:1; v/v); chloroform (20°C); dH2O (4°C)
ion source	EI	70eV
RI	FAME, d6-Cholesterole	FAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separation	GC	COLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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