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Add InChi (#236)
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* Add InChi

* Add structural formula

* Inline trivial syntax

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Co-authored-by: Joshua Klein <mobiusklein@gmail.com>
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edeutsch and mobiusklein authored Feb 16, 2024
1 parent 44947ae commit 6dd9f6b
Showing 1 changed file with 11 additions and 3 deletions.
14 changes: 11 additions & 3 deletions psi-ms.obo
Original file line number Diff line number Diff line change
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format-version: 1.2
data-version: 4.1.141
date: 11:02:2024 10:23
data-version: 4.1.142
date: 24:01:2024 10:23
saved-by: Eric Deutsch
auto-generated-by: OBO-Edit 2.3.1
import: http://purl.obolibrary.org/obo/pato.obo
Expand Down Expand Up @@ -22307,7 +22307,7 @@ is_a: MS:1001457 ! data processing software
id: MS:1003383
name: timsTOF Ultra
def: "Bruker Daltonics' timsTOF Ultra." [PSI:MS]
is_a: MS:1003123! Bruker Daltonics timsTOF series
is_a: MS:1003123 ! Bruker Daltonics timsTOF series

[Term]
id: MS:1003384
Expand Down Expand Up @@ -22436,6 +22436,14 @@ name: pymzqc
def: "A Python package for reading, validating, and writing mzQC files." [https://github.com/MS-Quality-hub/pymzqc]
is_a: MS:1003399 ! quality control software

[Term]
id: MS:1003403
name: InChI
def: "IUPAC International Chemical Identifier." [PMID:26136848]
is_a: MS:1001405 ! spectrum identification result details
is_a: MS:1000867 ! structural formula
relationship: has_value_type xsd:string ! The allowed value-type for this CV term

[Term]
id: MS:4000000
name: PSI-MS CV Quality Control Vocabulary
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