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Tryptophan (2TMS)

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Replica Mass Spectra of Tryptophan (2TMS)

replica	lib entry date	detection	method	species
1	19 July 2007	MS-TOF	MDN35	Reference Substance
2	19 July 2007	MS-TOF	VAR5	Reference Substance
4	16 June 2005	MS-TOF	M[STR]
12	30 March 2011		Fiehn_GC_2010
11	03 November 2010		Schomburg_GC_2010
8	19 July 2007	MS-TOF	MDN35	Reference Substance
9	11 September 2005		M[FAME4090]	Standard
10	15 March 2005	MS-TOF	M[6]	Reference Substance
8 spectrum(a)

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Spectrum Details

analyte	Tryptophan (2TMS)
analyte InChI	InChI=1S/C17H28N2O2Si2/c1-22(2,3)19-16(17(20)21-23(4,5)6)11-13-12-18-15-10-8-7-9-14(13)15/h7-10,12,16,18-19H,11H2,1-6H3/t16-/m0/s1
analyte mass	348.59
chromatogram	1235DW02
citation	Birkemeyer C, Kolasa A, Kopka J (2003) J Chromatogr A 993, 89-102
authors	Birkemeyer C, Kolasa 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	28 June 2002
metabolite role	METB
retention time (sec)	2,033.1
retention index (VAR5 method, n-alkanes C10–C36)	2,197.43 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	218
maximal intensity	999
mass-intensity-peaks cardinality	128 intensities
minimal m/z	70
maximal m/z	350
download JCAMP DX	SpectrumJcampDx.ashx?id=1613a9b1-6969-46f1-8703-5c7fcea6f806
download MSP	SpectrumMsp.ashx?id=1613a9b1-6969-46f1-8703-5c7fcea6f806

GC-Method

name	M[7]
citation	Birkemeyer C, Kolasa A, Kopka J (2003) J Chromatogr A 993, 89-102

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA	DIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatization	TMS	Trimethylsilylation:30min90°C
detector	MS-Quad	MZ:40-600; SCANS:2/s; MD 800; Thermo-Finnigan, San Jose, CA, USA
extraction	methanol:water (4:1; v/v); 70°C
ion source	EI	70eV
partitioning	none
RI	RT
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 30m, ID:0.25mm, DF:0.25microm, DB-5ms, #NA (Agilent, Waldbronn, Germany); PROGRAM:iso1min70°C, ramp6°C/min, iso1min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:260°C; IONSOURCE:230°C

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