• • 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

Caffeic acid, trans- (3TMS)

 

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 Caffeic acid, trans- (3TMS)

replica	lib entry date	detection	method	species
1	19 July 2007	MS-TOF	VAR5	Reference Substance
20	28 August 2012		MassBank GC 2010 Kusano
3	19 July 2007	MS-TOF	MDN35	Reference Substance
4	01 September 2001	MS-Quad	M[2]	Standard Addition
5	01 May 2001	MS-TOF	M[EIGTMS]	Standard Addition
6	01 December 2002	MS-Quad	M[2]	Cucurbita maxima
7	15 March 2005	MS-TOF	M[6]	Reference Substance
8	11 September 2005		M[FAME4090]	Standard
9	12 May 2005		M[NIST]
10	12 May 2005		M[NIST]
21 spectrum(a)
Page of 3     Results per page: 5 10 25 50 100 500

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

Spectrum Details

analyte	Caffeic acid, trans- (3TMS)
analyte InChI	InChI=1S/C18H32O4Si3/c1-23(2,3)20-16-12-10-15(14-17(16)21-24(4,5)6)11-13-18(19)22-25(7,8)9/h10-14H,1-9H3/b13-11+
analyte mass	396.7
chromatogram	NA(_43)
citation
authors	Moritz T, Umea Plant Science Centre, Department of Forest Genetics and Plant Physiology, Swedish University of Agricultural Sciences, SE-901 83 Umea, Sweden
lib entry date	25 January 2005
metabolite role	METB
retention time (sec)	367.3
retention index (VAR5 method, n-alkanes C10–C36)	2,134.61 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	176 intensities
minimal m/z	53
maximal m/z	400
download JCAMP DX	SpectrumJcampDx.ashx?id=3d5010b2-d6fe-453b-983b-1c9e8e553c81
download MSP	SpectrumMsp.ashx?id=3d5010b2-d6fe-453b-983b-1c9e8e553c81

GC-Method

name	M[MOR]
citation	Gullberg J, Jonsson P, Nordström A, Sjöström M, Moritz T (2004) Anal Biochem 331, 283-295

attribute	text	details
deconvolution	ChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USA	OFFSET:NA; SMOOTHING:NA; WIDTH:2; SN:>10
derivatization	MEOX; TMS	METHOXYAMINATION: 60min60°C, 960min20°C; SILYLATION:>60min40°C
detector	MS-TOF	m/z:50-800; SCANS:30/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extraction	methanol:chloroform:water (3:1:1; v/v/v) 15min at 60°C
ion source	EI	70eV
metabolic inactivation	cut; liquid nitrogen; -80°C
partitioning	none
RI	ALKANE	C12, C13, C14, C15, C16, C17, C18, C19, C20, C21, C22, C23, C24, C25
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 10m, ID:0.18mm, DF:0.18µm, DB-5-MS (J&W Scientific, Folsom, CA, USA); PROGRAM: iso 2min at 70°C, ramp 40°C/min, iso 1min at 320°C; FLOW:Helium, 1.0ml/min: INJECTION:1µL, splitless, 270°C; TRANSFER:250°C; IONSOURCE:200°C

comments on this mass spectrum

Post a Comment

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