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Glyceric acid (3TMS)

 

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Replica Mass Spectra of Glyceric acid (3TMS)

replica	lib entry date	detection	method	species
2	01 October 2001	MS-TOF	M[EIGTMS]	Saccharomyces cerevisiae
7	10 December 2010	MS-TOF	VAR5
4	09 December 2004	MS-TOF	M[6]	Oryza sativa
3 spectrum(a)

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Spectrum Details

analyte	Glyceric acid (3TMS)
analyte InChI
analyte mass	325
chromatogram	4324GX59
citation
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	09 December 2004
metabolite role	IS (QUAN)
retention time (sec)	778.87
retention index (VAR5 method, n-alkanes C10–C36)	1,321.98 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	77 intensities
minimal m/z	70
maximal m/z	312
download JCAMP DX	SpectrumJcampDx.ashx?id=2e0e265a-2cd3-4431-851d-ddb63558b769
download MSP	SpectrumMsp.ashx?id=2e0e265a-2cd3-4431-851d-ddb63558b769

GC-Method

name	M[6]
citation	Erban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA

attribute	text	details
deconvolution	ChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USA	OFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatization	MEOX; TMS	Methoxyamination:90min40°C; Trimethylsilylation:45min40°C
detector	MS-TOF	MZ:70-600; SCANS:20/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extraction	methanol:water (4:1; v/v); 15min70°C
ion source	EI	70eV
metabolic inactivation	cut; liquid nitrogen; -80°C
partitioning	methanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning
RI	ALKANE	C12, C15, C18, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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