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Replica Mass Spectra of Cystine (4TMS)
replica | lib entry date | detection | method | species |
20 | 28 August 2012 | | MassBank GC 2010 Ara | |
21 | 28 August 2012 | | MassBank GC 2010 Ara | |
2 | 25 January 2005 | MS-TOF | M[MOR] | |
5 | 12 May 2005 | | M[NIST] | |
6 | 12 May 2005 | | M[NIST] | |
8 | 26 November 2004 | | M[FAME4090] | Standard |
24 | 05 June 2013 | | MRI_2013 | |
16 | 28 August 2012 | | MassBank GC 2010 Kusano | |
18 | 28 August 2012 | | MassBank GC 2010 Tsujimoto | |
22 | 28 August 2012 | | MassBank GC 2010 Ara | |
16 spectrum(a) |
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Spectrum Details
analyte | Cystine (4TMS) |
analyte InChI | InChI=1S/C18H44N2O4S2Si4/c1-27(2,3)19-15(17(21)23-29(7,8)9)13-25-26-14-16(20-28(4,5)6)18(22)24-30(10,11)12/h15-16,19-20H,13-14H2,1-12H3/t15-,16?/m0/s1 |
analyte mass | 529.03 |
chromatogram | 4132GX27 |
citation | |
authors | Liebig F, Erban A, 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 | 01 February 2005 |
metabolite role | METB |
retention time (sec) | 1,442.48 |
retention index (VAR5 method, n-alkanes C10–C36) | 2,292.16 (predicted, according to Strehmel, N. et.al) |
base peak (m/z) | 73 |
maximal intensity | 999 |
mass-intensity-peaks cardinality | 143 intensities |
minimal m/z | 70 |
maximal m/z | 415 |
download JCAMP DX | SpectrumJcampDx.ashx?id=4b80f427-e2a2-4eb8-8900-6cf45c624844 |
download MSP | SpectrumMsp.ashx?id=4b80f427-e2a2-4eb8-8900-6cf45c624844 |
GC-Method
name | M[6] |
citation | Erban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA |
attribute | text | details |
deconvolution | ChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USA | OFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2 |
derivatization | MEOX; TMS | Methoxyamination:90min40°C; Trimethylsilylation:45min40°C |
detector | MS-TOF | MZ:70-600; SCANS:20/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, 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, C18, 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, #525560 (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 |
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