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Replica Mass Spectra of Hexatriacontane, n-
replica | lib entry date | detection | method | species |
1 | 25 March 2002 | MS-TOF | M[EIGTMS] | Standard Addition |
2 | 12 May 2005 | | M[NIST] | |
9 | 27 June 2008 | MS-TOF | VAR5 | na |
4 | 01 November 2001 | MS-TOF | M[EIGTMS] | Standard Addition |
5 | 22 February 2005 | MS-TOF | M[STR] | |
14 | 03 November 2010 | | Schomburg_GC_2010 | |
11 | 27 June 2008 | MS-TOF | VAR5 | na |
12 | 27 June 2008 | MS-TOF | VAR5 | na |
6 | 01 May 2001 | MS-TOF | M[EIGTMS] | Standard Addition |
7 | 01 May 2003 | MS-Quad | M[2] | Spathodea campanulata P. Beauv. |
11 spectrum(a) |
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Spectrum Details
analyte | Hexatriacontane, n- |
analyte InChI | InChI=1S/C36H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3 |
analyte mass | 506.97 |
chromatogram | 8098if_6 |
citation | |
authors | Strehmel N, 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 | 27 June 2008 |
metabolite role | |
retention time (sec) | 1,913.08 |
retention index (VAR5 method, n-alkanes C10–C36) | 3,600 (observed) |
base peak (m/z) | 71 |
maximal intensity | 15,500 |
mass-intensity-peaks cardinality | 497 intensities |
minimal m/z | 70 |
maximal m/z | 599 |
download JCAMP DX | SpectrumJcampDx.ashx?id=89aa3df9-db76-491b-a8d4-3990b7695da7 |
download MSP | SpectrumMsp.ashx?id=89aa3df9-db76-491b-a8d4-3990b7695da7 |
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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