• • 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

Purine, 6-benzylamino-, 9-beta-D-glucopyranosyl- (4TMS)

 

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 Purine, 6-benzylamino-, 9-beta-D-glucopyranosyl- (4TMS)

replica	lib entry date	detection	method	species
1	01 December 2003	MS-Quad	M[2]	Standard
2	29 November 2003	MS-Quad	M[2]	Standard
3	19 July 2007	MS-TOF	VAR5	Reference Substance
4	19 July 2007	MS-TOF	MDN35	Reference Substance
4 spectrum(a)

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

Spectrum Details

analyte	Purine, 6-benzylamino-, 9-beta-D-glucopyranosyl- (4TMS)
analyte InChI	InChI=1S/C30H53N5O5Si4/c1-41(2,3)36-19-23-25(38-42(4,5)6)26(39-43(7,8)9)27(40-44(10,11)12)30(37-23)35-21-34-24-28(32-20-33-29(24)35)31-18-22-16-14-13-15-17-22/h13-17,20-21,23,25-27,30H,18-19H2,1-12H3,(H,31,32,33)/t23-,25-,26+,27-,30-/m1/s1
analyte mass	676.12
chromatogram	4029BB15
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	07 September 2004
metabolite role	METB
retention time (sec)	2,819.22
retention index (VAR5 method, n-alkanes C10–C36)	3,462.51 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	325 intensities
minimal m/z	41
maximal m/z	587
download JCAMP DX	SpectrumJcampDx.ashx?id=9dc5ede2-0b5e-4632-88c0-999ee9729112
download MSP	SpectrumMsp.ashx?id=9dc5ede2-0b5e-4632-88c0-999ee9729112

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

comments on this mass spectrum

Post a Comment

Name:
Website:
Email:
Comments: