• • home
  • search
• • ms analysis
    • library search
    • prediction
  • GoBioSpace
• • profile data
    • search
    • species
  • decision trees
  • data entities
    • analytes
    • metabolites
    • reference substances
    • chromatograms
  • web services
  • download
• • blog
  • thanks to
  • publications
  • imprint
  • privacy policy
  • contact
  • help

The GMD web site use latest HTML5 features! This message indicates backward compatibility problems in GMD's mass spectra, chemical compound structure and metabolite profile visualizations. As your browser does not support the HTML5 <canvas> element, please consider to upgrade to a HTML5 ready web browser, including Microsoft Internet Explorer, Mozilla Firefox, Apple Safari, Google Chrome and Opera, to fully enjoy GMD's functionalities!

How would you rate the quality of this mass spectrum?

poor, not helpful 

     

 outstanding, most helpful.

This spectrum was 0 times rated; on average=0.0

1

2

3

4

5

Sinapic acid, trans- (2TMS)

 

Reset Zoom _{zoom: click+drag; export spectrum in JCAMP-DX or NIST-MSP format; view png image}

This png spectrum visualization works for backward compatibility reasons only, as your browser does not support the HTML5 <canvas> element. To enjoy zoom-in functionality please upgrade to a HTML5 ready Browser!

Replica Mass Spectra of Sinapic acid, trans- (2TMS)

replica	lib entry date	detection	method	species
1	12 May 2005		M[NIST]
20	28 August 2012		MassBank GC 2010 Tsujimoto
2	01 May 2001	MS-TOF	M[EIGTMS]	Standard Addition
3	25 January 2005	MS-TOF	M[MOR]
18	30 March 2011		Fiehn_GC_2010
19	28 August 2012		MassBank GC 2010 Kusano
21	28 August 2012		MassBank GC 2010 Ara
22	05 June 2013		MRI_2013
4	01 February 2005	MS-TOF	M[6]	Reference Substance
5	12 May 2005		M[NIST]
19 spectrum(a)
Page of 2     Results per page: 5 10 25 50 100 500

rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyte	Sinapic acid, trans- (2TMS)
analyte InChI	InChI=1S/C17H28O5Si2/c1-19-14-11-13(9-10-16(18)21-23(3,4)5)12-15(20-2)17(14)22-24(6,7)8/h9-12H,1-8H3/b10-9+
analyte mass	368.57
chromatogram	NA(_49)
citation
authors	Roessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date	19 January 2005
metabolite role	METB
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	2,243.29 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	205 intensities
minimal m/z	70
maximal m/z	561
download JCAMP DX	SpectrumJcampDx.ashx?id=9cf192c3-61f8-4fc3-a0da-a79141be841d
download MSP	SpectrumMsp.ashx?id=9cf192c3-61f8-4fc3-a0da-a79141be841d

GC-Method

name	M[ROE]
citation	U. Roessner, J. Patterson, M. Forbes, G. Fincher, P. Langridge, A. Bacic, Plant Physiology 142 (2006) 1087

attribute	text	details
deconvolution	Xcalibur program
derivatization	MEOX; MSTFA	METHOXYAMINATION: 120min at 37°C; SILYLATION: 30min at 37°C
detector	MS-QUAD	m/z = 70-600; scans:2/s; DSQ quadrupole mass spectrometer
extraction	methanol:chloroform
ion source	EI	70eV
RI	ALKANE	C12, C15, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, VF-5MS (Varian, Darmstadt, Germany); PROGRAM:injection at 70°C, ramp 1°C/min to 76°C, ramp 6°C/min to 330°C, iso at 330°C for 10min; FLOW:Helium, 1mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:280°C; IONSOURCE:250°C

comments on this mass spectrum

Post a Comment

Name:
Website:		Not a valid url!
Email:		Not a valid email adress!
Comments:
		*