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Pentadecanoic acid (1TMS)

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Replica Mass Spectra of Pentadecanoic acid (1TMS)

replica	lib entry date	detection	method	species
12	03 November 2010		Schomburg_GC_2010
1	01 February 2005	MS-TOF	M[6]	Reference Substance
2	01 May 2001	MS-TOF	M[EIGTMS]	Arabidopsis thaliana
3	07 September 2004	MS-TOF	M[6]	Saccharomyces cerevisiae
4	12 May 2005		M[NIST]
5	01 May 2003	MS-Quad	M[2]	Spathodea campanulata P. Beauv.
6	12 May 2005		M[NIST]
8	22 February 2005	MS-TOF	M[STR]
13	05 June 2013		MRI_2013
10	01 May 2001	MS-TOF	M[EIGTMS]	Standard Addition
11 spectrum(a)
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Spectrum Details

analyte	Pentadecanoic acid (1TMS)
analyte InChI	InChI=1S/C18H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-21(2,3)4/h5-17H2,1-4H3
analyte mass	314.58
chromatogram	NA(_46)
citation	Strelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861
authors	Strelkov S, University of Cologne, CUBIC - Institute of Biochemistry, Department Prof. Schomburg, Zuelpicher Str. 47, D-50674 Cologne, Germany
lib entry date	16 June 2005
metabolite role	METB
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	1,944.67 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	117
maximal intensity	999
mass-intensity-peaks cardinality	49 intensities
minimal m/z	41
maximal m/z	315
download JCAMP DX	SpectrumJcampDx.ashx?id=4f6b9f9d-f872-4dfd-864b-c6a09ac1bfa8
download MSP	SpectrumMsp.ashx?id=4f6b9f9d-f872-4dfd-864b-c6a09ac1bfa8

GC-Method

name	M[STR]
citation	Strelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861

attribute	text	details
detector	MS-TOF
ion source	EI	70eV
RI	ALKANE	C10, C12, C15, C19, C22, C28, C32, C36
separation	GC	DB-5MS column (30m x 0.25µm) from J&W Scientific (Folsom, USA)

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