@@ -208,6 +208,12 @@ spectraVariableMapping <- function(format = c("Massbank")) {

            ms_source_temp = "AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE",

            ms_frag_mode = "AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE",

+           # ims information

+           ims_instrument_type = "AC$ION_MOBILITY: INSTRUMENT_TYPE",

+           ims_drift_gas = "AC$ION_MOBILITY: DRIFT_GAS",

+           ims_drift_time = "AC$ION_MOBILITY: DRIFT_TIME",

+           ims_ccs = "AC$ION_MOBILITY: CCS",

+

            # ms information part II

            focus_base_peak = "MS$FOCUSED_ION: BASE_PEAK",

            focus_derivative_form = "MS$FOCUSED_ION: DERIVATIVE_FORM",

@@ -301,12 +301,12 @@

   ac$chrom_solvent <- as.list(substring(grep("AC$CHROMATOGRAPHY: SOLVENT", mb, value = TRUE, fixed = TRUE), 28))

   ac$chrom_transfer_temp <- substring(grep("AC$CHROMATOGRAPHY: TRANSFERLINE_TEMPERATURE", mb, value = TRUE, fixed = TRUE), 45)

-  # # analytical chemistry information, ion mobility

-  # # preparation for IMS update of MassBank format

-  # ac$ims_instrument_type <- substring(grep("AC$ION_MOBILITY: INSTRUMENT_TYPE", mb, value = TRUE, fixed = TRUE), 34)

-  # ac$ims_drift_gas <- substring(grep("AC$ION_MOBILITY: DRIFT_GAS", mb, value = TRUE, fixed = TRUE), 28)

-  # ac$ims_drift_time <- substring(grep("AC$ION_MOBILITY: DRIFT_TIME", mb, value = TRUE, fixed = TRUE), 29)

-  # ac$ims_ccs <- substring(grep("AC$ION_MOBILITY: CCS", mb, value = TRUE, fixed = TRUE), 22)

+  # analytical chemistry information, ion mobility

+  # preparation for IMS update of MassBank format

+  ac$ims_instrument_type <- substring(grep("AC$ION_MOBILITY: INSTRUMENT_TYPE", mb, value = TRUE, fixed = TRUE), 34)

+  ac$ims_drift_gas <- substring(grep("AC$ION_MOBILITY: DRIFT_GAS", mb, value = TRUE, fixed = TRUE), 28)

+  ac$ims_drift_time <- substring(grep("AC$ION_MOBILITY: DRIFT_TIME", mb, value = TRUE, fixed = TRUE), 29)

+  ac$ims_ccs <- substring(grep("AC$ION_MOBILITY: CCS", mb, value = TRUE, fixed = TRUE), 22)

   # analytical chemistry information, general ----------------------------------

   ac$general_conc <- substring(grep("AC$GENERAL: CONCENTRATION", mb, value = TRUE, fixed = TRUE), 27)

@@ -732,6 +732,10 @@ metaDataBlocks <- function() {

     "AC$CHROMATOGRAPHY: UOA_PREDICTED_RETENTION_TIME",

     "AC$CHROMATOGRAPHY: SOLVENT",

     "AC$CHROMATOGRAPHY: TRANSFERLINE_TEMPERATURE",

+    "AC$ION_MOBILITY: INSTRUMENT_TYPE",

+    "AC$ION_MOBILITY: DRIFT_GAS",

+    "AC$ION_MOBILITY: DRIFT_TIME",

+    "AC$ION_MOBILITY: CCS",

     "MS$FOCUSED_ION: BASE_PEAK",

     "MS$FOCUSED_ION: DERIVATIVE_FORM",

     "MS$FOCUSED_ION: DERIVATIVE_MASS",