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Pseudotropine (1TMS)

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Replica Mass Spectra of Pseudotropine (1TMS)

replica	lib entry date	detection	method	species
2	01 September 2004	MS-Quad	M[2]	Reference Substance
1 spectrum(a)

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Spectrum Details

analyte	Pseudotropine (1TMS)
analyte InChI
analyte mass	213.39
chromatogram	4184BF06
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	01 September 2004
metabolite role	METB
retention time (sec)	1,060.74
retention index (VAR5 method, n-alkanes C10–C36)	1,324.47 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	83
maximal intensity	999
mass-intensity-peaks cardinality	135 intensities
minimal m/z	40
maximal m/z	240
download JCAMP DX	SpectrumJcampDx.ashx?id=6156cb01-54a2-463b-914f-1cf393f9c9d3
download MSP	SpectrumMsp.ashx?id=6156cb01-54a2-463b-914f-1cf393f9c9d3

GC-Method

name	M[2]
citation	Roessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142

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	MEOX; TMS	Methoxyamination:60min37°C; Trimethylsilylation:>45min37°C
detector	MS-Quad	m/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, 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:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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