Re: [Psidev-ms-dev] [Psidev-ms-vocab] Release candidate 4.1.7_rc1 of psi-ms.obo

[Brian P. <bs...@pr...>]

Apologies if I'm being pedantic, but shouldn't "InChI key" really be
"InChIKey"?

I've not seen it as two words before, and that's not how the InChI folks
use it: http://inchi.info/inchikey_overview_en.html.

Cheers

Brian Pratt

On Fri, May 18, 2018 at 5:50 AM, mayerg97 via Psidev-ms-vocab <
psi...@li...> wrote:

> Dear proteomics/metabolomics community,
>
> following are new/changed terms from the release candidate 4.1.7_rc1 of
> the psi-ms.obo file.
> It contains new and changed terms for mzTab-M annotation.
>
>
> New CV terms in version 4.1.7_rc1 of psi-ms.obo:
> ================================================
> [Term]
> id: MS:1002894
> name: InChI key
> def: "Unique chemical structure identifier for chemical compounds."
> [PMID:273343401]
> xref: value-type:xsd\:string "The allowed value-type for this CV term."
> is_a: MS:1001405 ! spectrum identification result details
>
> [Term]
> id: MS:1002895
> name: small molecule identification attribute
> def: "Compound identification information." [PSI:PI]
> is_a: MS:1002694 ! single identification result attribute
>
> [Term]
> id: MS:1002896
> name: compound identification confidence level
> def: "Confidence level for annotation of identified compounds as defined
> by the Metabolomics Standards Initiative (MSI). The value slot can have the
> values 'Level 0' until 'Level 4'." [PMID:29748461]
> xref: value-type:xsd\:string "The allowed value-type for this CV term."
> is_a: MS:1002895 ! small molecule identification attribute
>
> [Term]
> id: MS:1002897
> name: isotopomer peak
> def: "Identifies a peak when no de-isotoping has been performed. The value
> slot reports the isotopomer peak, e.g. '2H', '13C', '15N', '18O', '31P'."
> [PSI:PI]
> xref: value-type:xsd:string "The allowed value-type for this CV term."
> is_a: MS:1000231 ! peak
>
>
> Changed CV terms in version 4.1.7_rc1 of psi-ms.obo:
> ====================================================
> ************ Changed definition and added publication reference
> [PMID:27824832]
> [Term]
> id: MS:1002599
> name: splash key
> def: "Spectral Hash key, an unique identifier for spectra." [PMID:27824832]
> xref: value-type:xsd\:string "The allowed value-type for this CV term."
> is_a: MS:1001405 ! spectrum identification result details
>
> Best Regards,
> Gerhard
> --
>
> *--------------------------------------------------------------------*
>
> *Dipl. Inform. med., Dipl. Wirtsch. **Inf. GERHARD MAYER*
>
> *PhD student*
>
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>
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>
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