Dataset: Ultrahigh Resolution Mass Spectrometry of a Depth Profile

Name: Ultrahigh resolution Mass Spectrometry data from a depth profile collected at 200 m depth intervals at the Bermuda Atlantic Time Series Station (BATS) in August 2019 and at the Hawaii Ocean Time Series station (HOTS) Aloha in July 2021
Published: 2023-09-18
Keywords: FDOM, marine DOM, BATS, oceans

Cite This Dataset

DOI:10.26008/1912/bco-dmo.905077.1

Spatial Extent: N:31.833333 E:-64.166667 S:22.75 W:-158

Temporal Extent: 2019-08 - 2021-07

Project:

The fate of lysis products of picocyanobacteria contributes to marine humic-like chromophoric dissolved organic matter (Picocyanobacteria CDOM)

Principal Investigator:

Michael Gonsior (University of Maryland Center for Environmental Science, UMCES/CBL)

Co-Principal Investigator:

Feng Chen (University of Maryland Center for Environmental Science, UMCES/IMET)

Contact:

Michael Gonsior (University of Maryland Center for Environmental Science, UMCES/CBL)

BCO-DMO Data Manager:

Karen Soenen (Woods Hole Oceanographic Institution, WHOI BCO-DMO)

Version:

Version Date:

2023-09-18

Restricted:

Validated:

Yes

Current State:

Final no updates expected

Ultrahigh resolution Mass Spectrometry data from a depth profile collected at 200 m depth intervals at the Bermuda Atlantic Time Series Station (BATS) in August 2019 and at the Hawaii Ocean Time Series station (HOTS) Aloha in July 2021

Abstract:

This data set contains ultrahigh resolution mass spectrometric data collected at BATS and HOTS at 200 m depth intervals in August 2019, and July 2021, respectively.

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Archival Copy

Version Date	Archive	Persistent Identifier (PID)	Date PID Issued
2023-09-18	Marine Biological Laboratory/Woods Hole Oceanographic Institution Library (MBLWHOI DLA)	10.26008/1912/bco-dmo.905077.1	2023-09-18

Methods & Sampling

Water samples were collected using the ship's CTD profiler and 12 L Nisking bottles. 10 L water samples from each depth were then transferred into 5 gallon polycarbonate water bottles and extractrated. 10 L seawater samples were collected at 200 m depth intervals and then solid-phase extracted suing Agilent Bond Elut PPL cartridges (1 g, 6 ml). The organic matter was then eluted with 10 mL methanol. The methanolic extract was diluted 1:20 and directly infused into a 12 Tesla Bruker Solarix Fourier transform ion cyclotron resonance mass spectrometer. 500 scans were averaged and mass lists were calibrated at a mass accuracy of greater than 0.2 ppm.

Data Processing Description

Data were calibrated using known DOM signatures and a matrix was generated aligning all spectra. See Timko et al., 2015 Reference for the calibration of FT-ICR MS data.

BATS depth 120m = deep chlorophyll maximum (DCM)
BATS depth 820m = oxygen minimum zone (OMZ)

BCO-DMO Processing

* unpivot data: transform data from multiple intensity columns with location, depth and replicate in the header and changed it to one intensity column and added columns to capture the location, depth and replicate.
* added sampling date, latitude and longitude

Data Files

File
905077_v1_massspec.csv (Comma Separated Values (.csv), 82.61 MB) MD5:858404187e9529766f5cd3fef5aac09f Primary datafile for dataset 905077

More Information about this dataset

Funding Sources

Funding Source	Award Number
NSF Division of Ocean Sciences	OCE-1829888

Deployments

Deployment	Synonyms	Start Date	Platform	Investigator
AE1920		2019-08-08	R/V Atlantic Explorer	Michael Gonsior (Chief Scientist)	data info
KM2110		2021-07-06	R/V Kilo Moana	Michael Gonsior (Chief Scientist)	data info

Instruments

Fourier Transform Ion Cyclotron Resonance Mass Spectrometer

Supplied Name: 12 Tesla Bruker Solarix Fourier transform ion cyclotron resonance mass spectrometer

Supplied Description:

Instrument Type

Generic Name: Fourier Transform Ion Cyclotron Resonance Mass Spectrometer

Acronym: FTICR MS

Generic Description:

In Fourier Transform Ion Cyclotron Resonance Mass Spectrometry, the mass-to-charge ratio (m/z) of an ion is experimentally determined by measuring the frequency at which the ion processes in a magnetic field. These frequencies, which are typically in the 100 KHz to MHz regime, can be measured with modern electronics making it possible to determine the mass of an ion to within +/- 0.000005 amu or 5 ppm.

Parameters

Date and time formats are described in python strftime() syntax.

Supplied Name	Supplied description	Supplied Units	Standard Name
Station_Location	Sampling station (HOT or BATS)	unitless	station
Latitude	Latitude sampling location, south is negative	decimal degrees	lat
Longitude	Longitude sampling location, west is negative	decimal degrees	lon
Date	Sampling date Format: %Y-%m-%d	unitless	date
Replicate	Replicate number	unitless	replicate
Depth	Sampling Depth	meters (m)	depth
Mass	Mass to charge ratio (m/z)	unitless	mass_to_charge
Intensity	Ion intensity (arbitrary unit)	unitless	intensity