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Salicylic acid (2TMS)

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Replica Mass Spectra of Salicylic acid (2TMS)

replica	lib entry date	detection	method	species
25	03 November 2010		Schomburg_GC_2010
1	29 November 2003	MS-Quad	M[2]	Standard
2	01 December 2003	MS-Quad	M[2]	Standard
3	01 February 2002	MS-Quad	M[2]	Standard
5	12 May 2005		M[NIST]
7	01 June 2001	MS-TOF	M[EIGTMS]	Alyssum lesbiacum
9	11 September 2005		M[FAME4090]	Standard
10	16 September 2004	MS-Quad	M[2]	Reference Substance
11	01 February 2005	MS-TOF	M[6]	Reference Substance
12	12 May 2005		M[NIST]
22 spectrum(a)
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Spectrum Details

analyte	Salicylic acid (2TMS)
analyte InChI	InChI=1S/C13H22O3Si2/c1-17(2,3)15-12-10-8-7-9-11(12)13(14)16-18(4,5)6/h7-10H,1-6H3
analyte mass	282.48
chromatogram	1116CW12
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)	1,243.8
retention index (VAR5 method, n-alkanes C10–C36)	1,507.85 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	142 intensities
minimal m/z	43
maximal m/z	271
download JCAMP DX	SpectrumJcampDx.ashx?id=1c16d2d8-60e9-472c-82bf-f886353d4f0a
download MSP	SpectrumMsp.ashx?id=1c16d2d8-60e9-472c-82bf-f886353d4f0a

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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