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Dotriacontane, n-

 

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Replica Mass Spectra of Dotriacontane, n-

replica	lib entry date	detection	method	species
1	01 September 2001	MS-Quad	M[2]	Standard Addition
10	27 June 2008	MS-TOF	VAR5	na
11	27 June 2008	MS-TOF	VAR5	na
9	23 June 2008	MS-TOF	VAR5	na
12	27 June 2008	MS-TOF	VAR5	na
15	03 November 2010		Schomburg_GC_2010
6	01 May 2003	MS-Quad	M[2]	Spathodea campanulata P. Beauv.
13	27 June 2008	MS-TOF	VAR5	na
7	12 May 2005		M[NIST]
8	22 February 2005	MS-TOF	M[STR]
10 spectrum(a)

rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyte	Dotriacontane, n-
analyte InChI	InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
analyte mass	450.87
chromatogram	1344EC05
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	25 March 2002
metabolite role	IS (RI05)
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	3,207.21 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	71
maximal intensity	999
mass-intensity-peaks cardinality	130 intensities
minimal m/z	70
maximal m/z	451
download JCAMP DX	SpectrumJcampDx.ashx?id=700dac97-6a82-4467-afa3-aab887fc8673
download MSP	SpectrumMsp.ashx?id=700dac97-6a82-4467-afa3-aab887fc8673

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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