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Nonadecanoic acid methyl ester

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Replica Mass Spectra of Nonadecanoic acid methyl ester

replica	lib entry date	detection	method	species
12	28 August 2012		MassBank GC 2010 Ara
13	28 August 2012		MassBank GC 2010 Ara
11	03 November 2010		Schomburg_GC_2010
2	11 September 2005		M[FAME4090]	Standard
3	07 September 2004	MS-TOF	M[6]	Saccharomyces cerevisiae
4	11 September 2005		M[FAME4090]	Standard
5	11 September 2005		M[FAME4090]	Standard
6	22 February 2005	MS-TOF	M[STR]
14	28 August 2012		MassBank GC 2010 Ara
7	01 October 2001	MS-TOF	M[EIGTMS]	Standard Addition
13 spectrum(a)
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Spectrum Details

analyte	Nonadecanoic acid methyl ester
analyte InChI	InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
analyte mass	312.53
chromatogram	1135EC25
citation	Wagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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	01 May 2001
metabolite role	IS (RI35)
retention time (sec)	866.63
retention index (VAR5 method, n-alkanes C10–C36)	2,230.2 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	74
maximal intensity	999
mass-intensity-peaks cardinality	60 intensities
minimal m/z	70
maximal m/z	313
download JCAMP DX	SpectrumJcampDx.ashx?id=925b9234-b9cf-4391-8a32-05ba5b2ab4d2
download MSP	SpectrumMsp.ashx?id=925b9234-b9cf-4391-8a32-05ba5b2ab4d2

GC-Method

name	M[EIGTMS]
citation	Wagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA	DIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatization	MEOX; TMS	Methoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detector	MS-TOF	MZ:70-600; SCANS:6/s; Pegasus II 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, 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, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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