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Octadecadienoic acid, 9,12-(Z,Z)- (1TMS)

 

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Replica Mass Spectra of Octadecadienoic acid, 9,12-(Z,Z)- (1TMS)

replica	lib entry date	detection	method	species
13	30 March 2011		Fiehn_GC_2010
2	01 May 2001	MS-TOF	M[EIGTMS]	Standard Addition
14	28 August 2012		MassBank GC 2010 Kusano
3	19 July 2007	MS-TOF	VAR5	Reference Substance
4	07 September 2004	MS-Quad	M[2]
5	01 May 2001	MS-TOF	M[EIGTMS]	Standard
7	25 January 2005	MS-TOF	M[MOR]
9	01 May 2001	MS-TOF	M[EIGTMS]	Solanum tuberosum
10	01 August 2001	MS-Quad	M[2]	Standard
11	01 May 2003	MS-Quad	M[2]	Spathodea campanulata P. Beauv.
10 spectrum(a)

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Spectrum Details

analyte	Octadecadienoic acid, 9,12-(Z,Z)- (1TMS)
analyte InChI	InChI=1S/C21H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h9-10,12-13H,5-8,11,14-20H2,1-4H3/b10-9-,13-12-
analyte mass	352.63
chromatogram	NA(_49)
citation
authors	Roessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date	22 January 2005
metabolite role	METB
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	2,209.71 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	203 intensities
minimal m/z	70
maximal m/z	450
download JCAMP DX	SpectrumJcampDx.ashx?id=c7945c2c-279d-4219-affa-a00ac60463b3
download MSP	SpectrumMsp.ashx?id=c7945c2c-279d-4219-affa-a00ac60463b3

GC-Method

name	M[ROE]
citation	U. Roessner, J. Patterson, M. Forbes, G. Fincher, P. Langridge, A. Bacic, Plant Physiology 142 (2006) 1087

attribute	text	details
deconvolution	Xcalibur program
derivatization	MEOX; MSTFA	METHOXYAMINATION: 120min at 37°C; SILYLATION: 30min at 37°C
detector	MS-QUAD	m/z = 70-600; scans:2/s; DSQ quadrupole mass spectrometer
extraction	methanol:chloroform
ion source	EI	70eV
RI	ALKANE	C12, C15, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, VF-5MS (Varian, Darmstadt, Germany); PROGRAM:injection at 70°C, ramp 1°C/min to 76°C, ramp 6°C/min to 330°C, iso at 330°C for 10min; FLOW:Helium, 1mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:280°C; IONSOURCE:250°C

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