Maned wolf (Chrysocyon brachyurus) urinary volatile organic compounds

These data are raw peak areas for urinary VOCs in the urine samples of 13 maned wolves (Chrysocyon brachyurus) collected weekly for 6 months over one breeding season. Information about each individual wolf is provided in the table below:

CallName
SB#
Age
Sex
Institution
Housed with
Pairing Status
Breeding Information

Bonita
3231
3
F
Beardsley
SB#3232
Unpaired
NA Same sex sibling pair

Chiquita
3232
3
F
Beardsley
SB#3231
Unpaired
NA Same sex sibling pair

Yellow
2845
8
F
Fossil Rim
*
Unpaired
None seen

Mac
3206
4
M
Fossil Rim
SB#3207 (sister)
Unpaired
NA Female spayed

Cheech
3192
3
M
Philadelphia
SB#3195

Unpaired
NA Same sex sibling pair

Chong
3195
3
M
Philadelphia
SB#3192

Unpaired
NA Same sex sibling pair

Flint
2810
8
M
SCBI
Single
Unpaired
NA Single

Blue
2844
8
M
SCBI
SB#3184
Paired
None seen

Uno
3184
4
F
SCBI
SB#2844
Paired
None seen

Zonka
2660
10
M
WOCC
SB#2945
Paired
Estimated breeding date = Oct 8, 2014

Kim
2945
8
F
WOCC
SB#2660
Paired
Estimated breeding date = Oct 8, 2014

Elisa
2536
11
F
Buffalo
SB#3014
N/A
N/A Male neutered

Kev
3014
7
NeutM
Buffalo
SB#2536
N/A

N/A Male neutered

Raw data from GC-MS in MassHunter’s .D format were converted into .mzXML format for data processing
steps using ProteoWizard’s MSConvert tool. Files from replicates of
each sample were processed together through the xcms R package using R ver 3.6.1. The xcms
package contains functions to identify ion peaks, group the same ion peaks
across replicates, correct retention time drift using the Obiwarp algorithm, and then use the corrected
retention times to regroup ion peaks across replicates. Next, missing ion peaks
were filled in. Then a deconvolution algorithm in the camera R package assigned ion peaks into
compounds. Ions with the same peak shapes at the same retention times were
attributed to the same group to create a compound made up of component ions. This
open-source data analysis pipeline is robust, free of cost, and easily
accessible, allowing analysis of hundreds or thousands of samples containing
millions of ion peaks on a personal computer. Thus, this same data analysis
pipeline could easily extend to other species or areas of VOC research. Ion
peak areas were then averaged across the three replicates of each sample,
creating one mean value per urine sample for each ion. Within each compound
group, only the peak area for the quantitative ion (ion with the largest
average area) was retained. This value is representative of the abundance of
the VOC in that sample. These quantitative ion peak areas are the data that are shared.