From ef01f8e2ee8c70c32a8b13ac5677d1e6b448fa0c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Ren=C3=A9=20Meier?= Date: Thu, 11 Apr 2024 13:44:18 +0200 Subject: [PATCH] Update documentation of AC$MASS_SPECTROMETRY: MS_TYPE and finish #403 --- Documentation/MassBankRecordFormat.md | 11 ++++++----- 1 file changed, 6 insertions(+), 5 deletions(-) diff --git a/Documentation/MassBankRecordFormat.md b/Documentation/MassBankRecordFormat.md index 21e8255e..6f80edfa 100644 --- a/Documentation/MassBankRecordFormat.md +++ b/Documentation/MassBankRecordFormat.md @@ -748,14 +748,15 @@ MS MS2 MS3 MS4 +MS5 +MSn ``` Brief definition of terms used in `MS_TYPE`: -* `MS2` is 1st generation product ion spectrum(of `MS`) -* `MS3` is 2nd generation product ion spectrum(of `MS`) -* `MS2` is the precursor ion spectrum of `MS3`* - -Reference: [IUPAC Recommendations 2006](http://old.iupac.org/reports/provisional/abstract06/murray_prs.pdf) +* `MS` - [MS1 spectrum(MS:1000579)](https://terminology.tib.eu/ts/ontologies/ms/terms?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FMS_1000579) +* `MS2` - [MSn spectrum(MS:1000580)](https://terminology.tib.eu/ts/ontologies/ms/terms?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FMS_1000580) +* `MS3` - [MSn spectrum(MS:1000580)](https://terminology.tib.eu/ts/ontologies/ms/terms?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FMS_1000580) with [ms level(MS:1000511)](https://terminology.tib.eu/ts/ontologies/ms/terms?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FMS_1000580) = 3 +* `MSn` - use for any other multi stage acquisition method, which does not fit in the above scheme, like merged MS spectra from different stages #### 2.4.4 AC$MASS\_SPECTROMETRY: ION\_MODE Polarity of Ion Detection. Mandatory