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Replica Mass Spectra of Sitosterol, beta- (1TMS)
| replica | lib entry date | detection | method | species |
| 1 | 01 May 2003 | MS-Quad | M[2] | Newbouldia laevis (P. Beauv.) Seem. ex Bureau |
| 2 | 23 December 2003 | MS-Quad | M[2] | Ovis aries |
| 3 | 25 January 2005 | MS-TOF | M[MOR] | |
| 4 | 01 May 2001 | MS-TOF | M[EIGTMS] | Standard Addition |
| 5 | 19 July 2007 | MS-TOF | MDN35 | Reference Substance |
| 6 | 01 June 2003 | MS-Quad | M[2] | Markhamia acuminata |
| 7 | 01 January 2003 | MS-Quad | M[2] | Standard |
| 8 | 12 May 2005 | | M[NIST] | |
| 9 | 19 July 2007 | MS-TOF | VAR5 | Reference Substance |
| 11 | 01 June 2003 | MS-Quad | M[2] | Kigelia africana (Lam.) Benth. |
| 11 spectrum(a) |
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Spectrum Details
| analyte | Sitosterol, beta- (1TMS) |
| analyte InChI | InChI=1S/C32H58OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h13,22-24,26-30H,10-12,14-21H2,1-9H3/t23-,24-,26?,27+,28-,29+,30+,31+,32-/m1/s1 |
| analyte mass | 486.89 |
| chromatogram | NA(_49) |
| citation | |
| authors | Roessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia |
| lib entry date | 22 January 2005 |
| metabolite role | METB |
| retention time (sec) | |
| retention index (VAR5 method, n-alkanes C10–C36) | 3,385.93 (predicted, according to Strehmel, N. et.al) |
| base peak (m/z) | 73 |
| maximal intensity | 999 |
| mass-intensity-peaks cardinality | 353 intensities |
| minimal m/z | 70 |
| maximal m/z | 490 |
| download JCAMP DX | SpectrumJcampDx.ashx?id=a2a36200-a269-4200-bf7d-e98d5b2f10f6 |
| download MSP | SpectrumMsp.ashx?id=a2a36200-a269-4200-bf7d-e98d5b2f10f6 |
GC-Method
| name | M[ROE] |
| citation | U. Roessner, J. Patterson, M. Forbes, G. Fincher, P. Langridge, A. Bacic, Plant Physiology 142 (2006) 1087 |
| attribute | text | details |
| deconvolution | Xcalibur program | |
| derivatization | MEOX; MSTFA | METHOXYAMINATION: 120min at 37°C; SILYLATION: 30min at 37°C |
| detector | MS-QUAD | m/z = 70-600; scans:2/s; DSQ quadrupole mass spectrometer |
| extraction | methanol:chloroform | |
| ion source | EI | 70eV |
| RI | ALKANE | C12, C15, C19, C22, C28, C32, C36 |
| separation | GC | COLUMN:5%diphenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, VF-5MS (Varian, Darmstadt, Germany); PROGRAM:injection at 70°C, ramp 1°C/min to 76°C, ramp 6°C/min to 330°C, iso at 330°C for 10min; FLOW:Helium, 1mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:280°C; IONSOURCE:250°C |
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