Swate template CIMR - Mass spectrometry
Mass Spectrometry, Metabolomics, CIMR, chemical analysis
v1.0.0 released on 01/01/0001
by Stella Eggels, Hannah Dörpholz
145 Downloads
Template Content
Building Blocks + example values
| Input [Sample Name] | Parameter [MS sample resuspension] | Term Source REF (DPBO:0000044) | Term Accession Number (DPBO:0000044) | Parameter [derivatization] | Term Source REF (MSIO:0000111) | Term Accession Number (MSIO:0000111) | Parameter [injection volume setting] | Unit | Term Source REF (AFR:0001577) | Term Accession Number (AFR:0001577) | Component [instrument model] | Term Source REF (MS:1000031) | Term Accession Number (MS:1000031) | Component [Control software name] | Term Source REF (CAO:000053) | Term Accession Number (CAO:000053) | Parameter [Control software version] | Term Source REF (CAO:000054) | Term Accession Number (CAO:000054) | Parameter [sample introduction] | Term Source REF (AFP:0003813) | Term Accession Number (AFP:0003813) | Component [Ionization Source] | Term Source REF (NCIT:C47927) | Term Accession Number (NCIT:C47927) | Parameter [scan polarity] | Term Source REF (MS:1000465) | Term Accession Number (MS:1000465) | Parameter [Vacuum (physical force)] | Term Source REF (SNOMED:81547007) | Term Accession Number (SNOMED:81547007) | Parameter [skimmer and focusing lens voltages] | Term Source REF (DPBO:0000159) | Term Accession Number (DPBO:0000159) | Parameter [ionization gas flows] | Term Source REF (DPBO:0000160) | Term Accession Number (DPBO:0000160) | Component [mass analyzer] | Term Source REF (MS:1000451) | Term Accession Number (MS:1000451) | Parameter [mass spectrometry acquisition method] | Term Source REF (MS:1003213) | Term Accession Number (MS:1003213) | Parameter [data acquisition date] | Term Source REF (DPBO:0000161) | Term Accession Number (DPBO:0000161) | Parameter [Operator] | Term Source REF (NCIT:C48036) | Term Accession Number (NCIT:C48036) | Parameter [data acquisition rate] | Unit | Term Source REF (DPBO:0000162) | Term Accession Number (DPBO:0000162) | Parameter [m/z acquisition range] | Term Source REF (MS:4000069) | Term Accession Number (MS:4000069) | Component [Calibrant role] | Term Source REF (CAO:000088) | Term Accession Number (CAO:000088) | Parameter [mass resolution] | Unit | Term Source REF (MS:1000011) | Term Accession Number (MS:1000011) | Parameter [observed mass accuracy] | Unit | Term Source REF (MS:4000072) | Term Accession Number (MS:4000072) | Component [acquisition software] | Term Source REF (MS:1001455) | Term Accession Number (MS:1001455) | Parameter [mass spectrometer lock spray] | Term Source REF (DPBO:0000163) | Term Accession Number (DPBO:0000163) | Output [Data] | Data Format | Data Selector Format |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| MeOH:water 1:1 with 0.2% formic acid | trimethylsilyl derivatisation | CHMO | http://purl.obolibrary.org/obo/CHMO_0002758 | 10 | microliter | UO | https://bioregistry.io/UO:0000101 | TripleTOF 6600 | MS | https://www.ebi.ac.uk/ols4/ontologies/ms/classes/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FMS_1002533 | OpenLab CDS | 2.7 | from GC | electrospray ionization | MS | https://www.ebi.ac.uk/ols4/ontologies/ms/classes/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FMS_1000073 | positive | mass analyzer 10⁻⁵ Torr | skimmer 20 V, lens 50 V | nebulization gas N2 | triple quadrupole | full scan | 2025-04-25 | Max Mustermann | 10 | spectra per second | 100-1000 | Sodium Formate | NCIT | https://bioregistry.io/NCIT:C84156 | 5000-100000 | full width at half-maximum | MS | https://www.ebi.ac.uk/ols4/ontologies/ms/classes/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FMS_1000086 | 10 | parts per million | ms | https://bioregistry.io/UO:0000169 | SCIEX TOF/TOF Series Explorer Software | 10 µM sodium formate, 0.1 ml/min, every 20 s |
Release Notes
Currently Work in Progress 🚧Versions
| Version | Name | Release on |
| 1.0.0 | CIMR - Mass spectrometry | 01/01/0001 |