To build a more comprehensive collection of collision cross section measurements, we welcome the research community to submit data to CCSbase. If there are no errors with your submission and you are rerouted back to the Data Submission tab, then your submission is successfully recorded. Please follow the following instructions, and we will add the entries into the database once we have conducted a thorough check on the required information.

Make a CSV file with the appropriate header columns containing information about your entries.
Please double check your entries to make sure they are valid.
Then upload the CSV file below for us to review and inspect.

**Make sure the header column names are as follows**


For the column headers whose data types are text (with the exception of NULL for SMI), please enclose the text in single quotes as shown in the table.
Here is a table describing the variable type of each column header as well as a description and an example:

Column HeaderData TypeDescriptionExample
mzrealMass to charge ratio137.0715
ccsrealCollision cross section value126.4
smitextSMILES structure of chemical - enter NULL for this column if there is no SMILES structure'C[N+]1=CC=CC(=C1)C(=O)N'
chem_class_labeltextClassification of chemical - enter one of 'small molecule', 'lipid', 'carbohydrate', or 'peptide''small molecule'
ccs_typetextThe type of measurement that was made - enter one of 'TW' (traveling-wave), 'DT' (drift tube), or 'TIMS' (trapped ion mobility spectrometry)'DT'
ccs_methodtextDescribe the experimental conditions (instrument used, calibration strategy, etc)'single field, calibrated with Agilent tune mix (Agilent)'

Common errors:

  • Order of column headers is incorrect
  • Names of the column headers do not exactly match those specified
  • File extension name is not .csv

Please review the instructions before uploading the file.

Upload a CSV file