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Replica Mass Spectra of Glucose-6-phosphate (1MEOX) (6TMS) MP
replica | lib entry date | detection | method | species |
1 | 12 June 2003 | MS-Quad | M[2] | Arabidopsis thaliana |
3 | 01 December 2003 | MS-Quad | M[2] | Standard |
4 | 12 May 2005 | | M[NIST] | |
27 | 05 June 2013 | | MRI_2013 | |
5 | 22 February 2005 | MS-TOF | M[STR] | |
8 | 15 March 2005 | MS-TOF | M[6] | Reference Substance |
24 | 30 March 2011 | | Fiehn_GC_2010 | |
9 | 01 October 2001 | MS-TOF | M[EIGTMS] | Standard Addition |
10 | 01 January 2002 | MS-TOF | M[EIGTMS] | Standard |
26 | 28 August 2012 | | MassBank GC 2010 Ara | |
24 spectrum(a) |
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Spectrum Details
analyte | Glucose-6-phosphate (1MEOX) (6TMS) MP |
analyte InChI | InChI=1S/C25H64NO9PSi6/c1-28-26-20-22(30-37(2,3)4)24(32-39(8,9)10)25(33-40(11,12)13)23(31-38(5,6)7)21-29-36(27,34-41(14,15)16)35-42(17,18)19/h20,22-25H,21H2,1-19H3/b26-20+/t22-,23+,24+,25+/m0/s1 |
analyte mass | 722.26 |
chromatogram | 6073if_65 |
citation | |
authors | Boelling C, Liebig F, Erban 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 | 19 July 2007 |
metabolite role | METB-METB |
retention time (sec) | 1,349.34 |
retention index (VAR5 method, n-alkanes C10–C36) | 2,307.83 (observed) |
base peak (m/z) | 73 |
maximal intensity | 261,387 |
mass-intensity-peaks cardinality | 385 intensities |
minimal m/z | 45 |
maximal m/z | 709 |
download JCAMP DX | SpectrumJcampDx.ashx?id=8d5f864f-8549-42b4-879d-3101cda87250 |
download MSP | SpectrumMsp.ashx?id=8d5f864f-8549-42b4-879d-3101cda87250 |
GC-Method
name | VAR5 |
citation | Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany |
attribute | text | details |
deconvolution | ChromaTOF | OFFSET: "just above noise"; SMOOTHING: 20; PEAK WIDTH: 6; S/N: 2 |
derivatization | MEOX; TMS | METHOXYAMINATION: 90min at 30°C; TRIMETHYLSILYLATION: 30min at 37°C |
detector | MS-TOF | m/z = 70-600; scans:20/s; Pegasus III TOF mass spectrometer |
extraction | water:chloroform | (2:1; v/v) 15min at 70°C |
gas chromatograph | Agilent GC 6890 | |
ion source | EI | 70eV |
mass spectrometry instrument | Pegasus III TOF mass spectrometer | |
metabolic inactivation | shock-frozen in liquid nitrogen | |
RI | ALKANE | C10, C12, C15, C18, C19, C22, C28, C32, C36 |
separation | GC | COLUMN:5%phenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, 5PDM VF-5ms (Varian, Darmstadt, Germany); PROGRAM:iso1min 70°C, ramp 9°C/min, iso 5min 350°C; FLOW:Helium, 0.6mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C |
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