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Replica Mass Spectra of NA

replica	lib entry date	detection	method	species
no spectra linked

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Spectrum Details

analyte	NA
analyte InChI
analyte mass
chromatogram	4029BB26
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	22 September 2004
metabolite role	METB
retention time (sec)	2,321.52
retention index (VAR5 method, n-alkanes C10–C36)	2,698.3 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	202
maximal intensity	999
mass-intensity-peaks cardinality	161 intensities
minimal m/z	44
maximal m/z	564
download JCAMP DX	SpectrumJcampDx.ashx?id=26d9c149-23fa-43fa-99ac-700ae7b8aa5e
download MSP	SpectrumMsp.ashx?id=26d9c149-23fa-43fa-99ac-700ae7b8aa5e

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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