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Fucosterol (1TMS)

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Replica Mass Spectra of Fucosterol (1TMS)

replica	lib entry date	detection	method	species
1	01 February 2005	MS-TOF	M[6]	Reference Substance
2	01 May 2001	MS-TOF	M[EIGTMS]	Standard Addition
4	19 July 2007	MS-TOF	VAR5	Reference Substance
5	19 July 2007	MS-TOF	MDN35	Reference Substance
4 spectrum(a)

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Spectrum Details

analyte	Fucosterol (1TMS)
analyte InChI	InChI=1S/C32H56OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h10,13,22-23,26-30H,11-12,14-21H2,1-9H3/b24-10+/t23-,26+,27+,28-,29+,30+,31+,32-/m1/s1
analyte mass	484.87
chromatogram	4029BB21
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	16 September 2004
metabolite role	METB
retention time (sec)	2,749.2
retention index (VAR5 method, n-alkanes C10–C36)	3,382.7 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	129
maximal intensity	999
mass-intensity-peaks cardinality	341 intensities
minimal m/z	41
maximal m/z	487
download JCAMP DX	SpectrumJcampDx.ashx?id=6381e98e-47a3-4ddb-a499-e44baa48eed5
download MSP	SpectrumMsp.ashx?id=6381e98e-47a3-4ddb-a499-e44baa48eed5

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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