Implementation of a MS/MS database for isoquinoline alkaloids and other annonaceous metabolites

被引：7

作者：

Agnes, Salemon Akpa ^{[1
,2
]}

Okpekon, Timothee ^{[2
]}

Kouadio, Yvette Affoue ^{[1
,2
]}

Jagora, Adrien ^{[1
]}

Breard, Dimitri ^{[3
]}

Costa, Emmanoel V. ^{[4
]}

da Silva, Felipe M. A. ^{[5
]}

Koolen, Hector H. F. ^{[6
]}

Le Ray-Richomme, Anne-Marie ^{[3
]}

Richomme, Pascal ^{[3
]}

Champy, Pierre ^{[1
]}

Beniddir, Mehdi A. ^{[1
]}

Le Pogam, Pierre ^{[1
]}

机构：

[1] Univ Paris Saclay, CNRS, BioCIS, Equipe Chim Subst Nat, 5 Rue J B Clement, Chatenay Malabry, France

[2] Univ Felix Houphouet Boigny, Lab Constitut & React Matiere LCRM, UFR Sci Struct Matiere & Technol, BP 582, Abidjan 22, Cote Ivoire

[3] Univ Angers, SONAS, SFR QUASAV, F-49000 Angers, France

[4] Univ Fed Do Amazonas, Dept Quim, Av Rodrigo Otavio 1200, BR-69067005 Manaus, Amazonas, Brazil

[5] Univ Fed Amazonas, Ctr Apoio Multidisciplinar CAM, Av Rodrigo Otavio 1200, BR-69067005 Manaus, Amazonas, Brazil

[6] Univ Estado Amazonas, Grp Pesquisa Metab & Espectrometria Massas, Av Carvalho Leal 1777, BR-69065001 Manaus, Amazonas, Brazil

来源：

SCIENTIFIC DATA | 2022年 / 9卷 / 01期

关键词：

MASS-SPECTROMETRY; APORPHINE ALKALOIDS; CYTOTOXIC ALKALOIDS; HERNANDIACEAE; CONSTITUENTS;

D O I：

10.1038/s41597-022-01345-y

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

This data descriptor reports on the upload to a public repository (GNPS) of the IQAMDB, IsoQuinoline and Annonaceous Metabolites Data Base, comprising 320 tandem mass spectra. This project originated from our in-house collection of isoquinolines. The diversity of compounds included in this database was further extended through the contribution of two additional laboratories involved in isoquinoline alkaloids research: University of Angers and University of Manaus. The generated MS/MS data were processed and annotated on an individual basis to promote their straightforward reuse by natural product chemists interested in either the description of new isoquinoline alkaloids or the dereplication of isoquinoline-containing samples. The interest of the current repertoire for dereplication purposes has been validated based on the molecular networking of the well-investigated plant model Annona montana against the IQAMDB-implemented GNPS.

引用

页数：8

共 57 条

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