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Adenosine, alpha- (4TMS) MP

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Replica Mass Spectra of Adenosine, alpha- (4TMS) MP

replica	lib entry date	detection	method	species
16	28 August 2012		MassBank GC 2010 Ara
1	01 November 2001	MS-TOF	M[EIGTMS]	Standard
6	12 October 2005	MS-TRAP	M[BAR]
15	28 August 2012		MassBank GC 2010 Tsujimoto
14	28 August 2012		MassBank GC 2010 Kusano
7	15 December 2003	MS-Quad	M[2]	Standard Addition
2	19 July 2007	MS-TOF	VAR5	Reference Substance
3	19 July 2007	MS-TOF	MDN35	Reference Substance
8	12 May 2005		M[NIST]
9	01 May 2001	MS-TOF	M[EIGTMS]	Saccharomyces cerevisiae
15 spectrum(a)
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Spectrum Details

analyte	Adenosine, alpha- (4TMS) MP
analyte InChI	InChI=1S/C22H45N5O4Si4/c1-32(2,3)26-20-17-21(24-14-23-20)27(15-25-17)22-19(31-35(10,11)12)18(30-34(7,8)9)16(29-22)13-28-33(4,5)6/h14-16,18-19,22H,13H2,1-12H3,(H,23,24,26)/t16-,18-,19-,22+/m1/s1
analyte mass	555.97
chromatogram	4139GX3
citation
authors	Liebig F, Erban A, 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 February 2005
metabolite role	METB
retention time (sec)	1,656.83
retention index (VAR5 method, n-alkanes C10–C36)	2,672.43 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	282 intensities
minimal m/z	70
maximal m/z	558
download JCAMP DX	SpectrumJcampDx.ashx?id=ce161672-4891-4abe-97c7-747cddcabf2a
download MSP	SpectrumMsp.ashx?id=ce161672-4891-4abe-97c7-747cddcabf2a

GC-Method

name	M[6]
citation	Erban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA

attribute	text	details
deconvolution	ChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USA	OFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatization	MEOX; TMS	Methoxyamination:90min40°C; Trimethylsilylation:45min40°C
detector	MS-TOF	MZ:70-600; SCANS:20/s; Pegasus III 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, C18, 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, #525560 (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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