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MB Sample ID: SA174912

Local Sample ID:210514_IJ2colmo_1.cdf
Subject ID:SU001956
Subject Type:Plant
Subject Species:Saccharum spp

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Combined analysis:

Analysis ID AN003039
Analysis type MS
Chromatography type GC
Chromatography system Agilent 7890A
Column Agilent DB5 (20m x 0.18 mm i.d. x 0.18 μm)
MS Type EI
MS instrument type GC x GC-TOF
MS instrument name Leco Pegasus 4D GCxGC TOF
Ion Mode UNSPECIFIED
Units relative intensity

MS:

MS ID:MS002829
Analysis ID:AN003039
Instrument Name:Leco Pegasus 4D GCxGC TOF
Instrument Type:GC x GC-TOF
MS Type:EI
MS Comments:The column effluent was introduced into the ion source of a GC×GC/TOF-MS (Pegasus 4D, Leco Corp., St. Joseph, USA). The transfer line and the ion source temperatures were 280 and 250°C, respectively. Ions were generated by a 70-eV electron beam at an ionization current of 2.0 mA, and 10 spectra s-1 were recorded in the mass range m/z 45–800. The ChromaTOF software v. 4.51 (Leco Corp., St. Joseph, USA) was used to perform baseline correction, deconvolution, peak detection, retention time alignment and library matching. NIST mass spectral library was used to metabolite identification. Multivariate (Partial least squares-discriminant analysis, PLS-DA) and univariate (t-test, FDR adjusted p ≤ 0.05) analysis were done in MetaboAnalyst 5.0 (Xia et al., 2015). To reduce systematic variance and to improve the performance for downstream statistical analysis data were log-transformed and auto-scaled prior to data analysis. Metabolites detected in at least three replicates in one group (I5 or I9) and not identified in any replicate of the other group were named “exclusive” metabolites.
Ion Mode:UNSPECIFIED
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