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Tyrosine (3TMS)

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Replica Mass Spectra of Tyrosine (3TMS)

replica	lib entry date	method	species
32	28 August 2012	MassBank GC 2010 Ara
33	28 August 2012	MassBank GC 2010 Ara
34	28 August 2012	MassBank GC 2010 Ara
2	26 November 2004	M[FAME4090]	Standard
4	12 May 2005	M[NIST]
27	03 November 2010	Schomburg_GC_2010
28	30 March 2011	Fiehn_GC_2010
36	05 June 2013	MRI_2013
7	11 September 2005	M[FAME4090]	Standard
35	28 August 2012	MassBank GC 2010 Ara
24 spectrum(a)
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Spectrum Details

analyte	Tyrosine (3TMS)
analyte InChI	InChI=1S/C18H35NO3Si3/c1-23(2,3)19-17(18(20)22-25(7,8)9)14-15-10-12-16(13-11-15)21-24(4,5)6/h10-13,17,19H,14H2,1-9H3
analyte mass	397.73
chromatogram	1185EK11
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 June 2001
metabolite role	METB
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	1,933.97 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	120 intensities
minimal m/z	70
maximal m/z	383
download JCAMP DX	SpectrumJcampDx.ashx?id=61583bfb-caca-401a-8645-603a80821860
download MSP	SpectrumMsp.ashx?id=61583bfb-caca-401a-8645-603a80821860

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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