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Heptadecanoic acid (1TMS)

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Replica Mass Spectra of Heptadecanoic acid (1TMS)

replica	lib entry date	detection	method	species
1	01 May 2001	MS-TOF	M[EIGTMS]	Standard Addition
2	19 July 2007	MS-TOF	VAR5	Reference Substance
3	01 November 2001	MS-TOF	M[EIGTMS]	Corynebacterium glutamicum
4	07 September 2004	MS-Quad	M[2]
12	28 August 2012		MassBank GC 2010 Tsujimoto
5	26 November 2004		M[FAME4090]	Standard
6	12 May 2005		M[NIST]
11	30 March 2011		Fiehn_GC_2010
7	07 September 2004	MS-TOF	M[6]	Saccharomyces cerevisiae
9	12 May 2005		M[NIST]
11 spectrum(a)
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Spectrum Details

analyte	Heptadecanoic acid (1TMS)
analyte InChI	InChI=1S/C20H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-23(2,3)4/h5-19H2,1-4H3
analyte mass	342.63
chromatogram	6046hf_5
citation
authors	Boelling C, Liebig F, Erban A, 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	19 July 2007
metabolite role	METB
retention time (sec)	717.98
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	117
maximal intensity	446,976
mass-intensity-peaks cardinality	307 intensities
minimal m/z	45
maximal m/z	999
download JCAMP DX	SpectrumJcampDx.ashx?id=7cf31af6-ac36-472f-ba5a-b5c20ea0b6ca
download MSP	SpectrumMsp.ashx?id=7cf31af6-ac36-472f-ba5a-b5c20ea0b6ca

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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