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Oleanolic acid (2TMS)

 

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Replica Mass Spectra of Oleanolic acid (2TMS)

replica	lib entry date	detection	method	species
2	01 January 2003	MS-Quad	M[2]	Standard
3	01 June 2003	MS-Quad	M[2]	Markhamia acuminata
4	01 May 2003	MS-Quad	M[2]	Newbouldia laevis (P. Beauv.) Seem. ex Bureau
5	01 May 2003	MS-Quad	M[2]	Spathodea campanulata P. Beauv.
4 spectrum(a)

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Spectrum Details

analyte	Oleanolic acid (2TMS)
analyte InChI
analyte mass	601.06
chromatogram	4154GX27
citation
authors	Liebig F, Erban A, 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	15 March 2005
metabolite role	METB
retention time (sec)	2,033.46
retention index (VAR5 method, n-alkanes C10–C36)	3,620.46 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	237 intensities
minimal m/z	70
maximal m/z	600
download JCAMP DX	SpectrumJcampDx.ashx?id=35dc711a-521b-4666-968d-344f49baa581
download MSP	SpectrumMsp.ashx?id=35dc711a-521b-4666-968d-344f49baa581

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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