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GNPS - Chemodiversity of cyanobacteria

ABSTRACT: Extracts from Brazilian cyanobacteria (Sisgen access numbers A531C68 and A8EDA53) were obtained by maceration using a dichloromethane/methanol mixture (1:1, v/v, 3x). Crude extracts were fractionated using the protocol by Santos de Jesus et al. (2025), "Prefractionating Cyanobacterial Extracts by Solid-Phase Extraction", dx.doi.org/10.17504/protocols.io.3byl4wdkrvo5/v1. Fractions were analyzed by liquid chromatography mass spectrometry (LCMS). Data were acquired on a Waters Acquity UPLC H-class system coupled to a Waters Xevo G2-XS QToF mass spectrometer equipped with an electrospray ionization (ESI) source, operating in total ion scan mode under data-dependent acquisition (DDA). Chromatographic separation was achieved on a Kinetex C18 column (2.1 per 50 mm, 1.7 micrometers; Phenomenex). The mobile phase consisted of LCMS grade water (A) and acetonitrile (B), both acidified with 0.1% formic acid. The gradient program was as follows: linear increase from 10% to 100% B over 7 min, hold at 100% B for 1 min, rapid return to 10% B within 0.1 min, and re-equilibration at 10% B for 1.9 min. The MS parameters were set as follows: capillary voltage 1,200 V; cone voltage 30 eV; source temperature 100 degrees Celsius; desolvation temperature 450 degrees Celsius; cone gas flow (N2) 50 L/h; desolvation gas flow 750 L/h; mass detection range 100 to 2000 Da; scan time 0.2 s; collision energy ramp 15 to 30 eV and 60 to 80 eV. For MS/MS acquisition, the three most intense precursor ions in each MS1 spectrum were selected for fragmentation.

INSTRUMENT(S): ACQUITY UPLC H-Class, Xevo G2-XS QTof

ORGANISM(S): Phormidium Sp. Ccibt3095 Geitlerinema Sp. Ccibt3241 Calothrix Sp. Ccibt3304 Calothrix Sp. Ccibt3579 Nostoc Sp. Ccibt3290 Nostoc Sp. Ccibt3291 Leptolyngbya Sp. Ccibt3332 Calothrix Sp. Ccibt3581 Leptolyngbya Sp. Ccibt3333 Calothrix Sp. Ccibt3582 Phormidium Sp. Ccibt3280 Calothrix Sp. Ccibt3585 Leptolyngbya Sp. Ccibt3324 G. Unigranulatum Ccibt3213 Phormidium Sp. Ccibt3278 Phormidium Sp. Ccibt3468 Nostoc Sp. Ccibt3247 Nostoc Sp. Ccibt3248 Phormidium Sp. Ccibt3448

SUBMITTER: Camila Manoel Crnkovic

PROVIDER: MSV000099122 | GNPS |

REPOSITORIES: GNPS

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GNPS - Chemodiversity of cyanobacteria

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