# General information

## This README file was generated on 20204-01-04 by Dongsuk Kim.

## Author Information

A. Principal Investigator Contact Information

Name: Wilson Rumbeiha

Institution: University of California at Davis

Email: wkrumbeiha@ucdavis.edu

B. Associate or Co-investigator Contact Information

Name: Dongsuk Kim

Institution: University of California at Davis

Email: dskkim@ucdavis.edu

# Dataset contents:

This data set contains 3 normalized metabolomics data in brainstem following acute and subchronic hydrogen sulfide exposures.

# SHARING/ACCESS INFORMATION

1. Licenses/restrictions placed on the data: CC0 1.0 Universal (CC0 1.0) Public Domain

2. Links to publications that cite or use the data:

Dong-Suk Kim, Cristina MS Maldonado, Cecilia Giulivi, and Wilson K Rumbeiha (2024). Metabolomic signatures of brainstem in mice following acute and chronic hydrogen sulfide exposure.

3. Links to other publicly accessible locations of the data: None

4. Links/relationships to ancillary data sets: None

5. Was data derived from another source? No

6. Recommended citation for this dataset:

Dong-Suk Kim, Cristina MS Maldonado, Cecilia Giulivi, and Wilson K Rumbeiha (2024). Data from: Metabolomic signatures of brainstem in mice following acute and chronic hydrogen sulfide exposure. Dryad Digital Repository. https://doi.org/10.5061/dryad.tdz08kq5n

# Experimental procedures:

## Exposure paradigm

Hydrogen sulfide (H2S) is an environmental toxicant of health concern following acute or chronic human exposures. Male 6-8 week-old C57BL/6J mice were exposed by whole-body inhalation to 1000 ppm H2S for 45 min and euthanized at 5 min and 72 h for acute exposure. For subchronic study, mice were exposed to 5 ppm H2S 2 h/day, 5 days/week for 5 weeks. The brainstem was removed for metabolomic analysis.

## Metabolomics analysis

The metabolomics analyses consisted of three assays, (1) primary metabolism by GC-TOF MS, (2) biogenic amines (hydrophilic compounds) by HILIC-MS/MS and (3) lipidomics by RPLC-MS/MS. Metabolomics were performed in West Coast Metabolomics Center, University of California at Davis, CA, USA.

# Results:

348, 311, and 565 known metabolites were detected and analyzed by primary metabolism, biogenic amines, and lipidomic metabolomics assays. 33, 19, and 46 metabolites were increased at 5 min and 72 h post acute H2S exposures and subchronic ambient H2S exposures, respectively, compared to room air control group. 22, 17, and 32 metabolites were decreased at 5 min and 72 h post acute H2S exposures and subchronic ambient H2S exposures, respectively, compared to room air control group. Acute H2S exposure decreased excitatory neurotransmitters aspartate and glutamate concentrations while the inhibitory neurotransmitter serotonin was increased. Glutamate and serotonin were also decreased after ambient H2S exposure. Branched-chain amino acids, fructose, and glucose were increased by acute H2S exposure. In ambient H2S exposure, glucose was decreased while MUFAs, PUFAs, inosine, and hypoxanthine were increased. Collectively, these results provide im-portant mechanistic clues of acute and subchronic ambient H2S poisonings and show that H2S alters neurotransmission homeostasis.

# Description of the data and file structure

1 PA data.txt contains normalized biogenic amines metabolomics data by biogenic amines assays.

2 PM data.txt contains normalized primary metabolisom metabolomics data by biogenic amines assays.

3 Lipid data.txt contains normalized lipidomic metabolomics data by biogenic amines assays.

## DATA-SPECIFIC INFORMATION FOR: PA data.txt

1. number of headers: 36

2. number of data (Identified metabolites):309

3. Header list:

identifier: Index number of identified metabolite

Metabolite name: Common name of identified metabolite

Species: Chemical ionization mode

InChiKey: International Chemical Identifier

MSI level: Metabolomics Standards Initiative

m/z: Mass-to-charge ratio

RT: Retention time (minutes)

A - 1: Peak height of Room air normal control group for 1000 ppm H2S exposure - 1

A - 2: Peak height of Room air normal control group for 1000 ppm H2S exposure - 2

A - 3: Peak height of Room air normal control group for 1000 ppm H2S exposure - 3

A - 4: Peak height of Room air normal control group for 1000 ppm H2S exposure - 4

A - 5: Peak height of Room air normal control group for 1000 ppm H2S exposure - 5

B - 1: Peak height of 5 min post 1000 ppm H2S exposure - 1

B - 2: Peak height of 5 min post 1000 ppm H2S exposure - 2

B - 3: Peak height of 5 min post 1000 ppm H2S exposure - 3

B - 4: Peak height of 5 min post 1000 ppm H2S exposure - 4

C - 1: Peak height of 72 h post 1000 ppm H2S exposure - 1

C - 2: Peak height of 72 h post 1000 ppm H2S exposure - 2

C - 3: Peak height of 72 h post 1000 ppm H2S exposure - 3

C - 4: Peak height of 72 h post 1000 ppm H2S exposure - 4

C - 5: Peak height of 72 h post 1000 ppm H2S exposure - 5

D - 1: Peak height of Room air normal control group for 5 ppm H2S exposure - 1

D - 2: Peak height of Room air normal control group for 5 ppm H2S exposure - 2

D - 3: Peak height of Room air normal control group for 5 ppm H2S exposure - 3

D - 4: Peak height of Room air normal control group for 5 ppm H2S exposure - 4

E - 1: Peak height of 5 ppm H2S exposure - 1

E - 2: Peak height of 5 ppm H2S exposure - 2

E - 3: Peak height of 5 ppm H2S exposure - 3

E - 4: Peak height of 5 ppm H2S exposure - 4

E - 5: Peak height of 5 ppm H2S exposure - 4

MtdBlank001: Peak height of Blank - 1

MtdBlank002: Peak height of Blank - 2

MtdBlank003: Peak height of Blank - 3

PoolQC001: Peak height of Pooled quality control 1

PoolQC002: Peak height of Pooled quality control 2

PoolQC003: Peak height of Pooled quality control 3

4. Abbreviation:

na: Non-identified Inchikey

## DATA-SPECIFIC INFORMATION FOR: PM data.txt

1. number of headers: 32

2. number of data (Identified metabolites): 126

3. Header list:

Metabolite name: Name of identified metabolite

ret.index: Retention time (minutes)

quant mz: Mass-to-charge ratio

mass spec: Mass spectra

PubChem: ID of PubChem for the specific metabolite

KEGG: ID of Kyoto Encyclopedia of Genes and Genomes

InChI Key: International Chemical Identifier

A - 1: Peak height of Room air normal control group for 1000 ppm H2S exposure - 1

A - 2: Peak height of Room air normal control group for 1000 ppm H2S exposure - 2

A - 3: Peak height of Room air normal control group for 1000 ppm H2S exposure - 3

A - 4: Peak height of Room air normal control group for 1000 ppm H2S exposure - 4

A - 5: Peak height of Room air normal control group for 1000 ppm H2S exposure - 5

B - 1: Peak height of 5 min post 1000 ppm H2S exposure - 1

B - 2: Peak height of 5 min post 1000 ppm H2S exposure - 2

B - 3: Peak height of 5 min post 1000 ppm H2S exposure - 3

B - 4: Peak height of 5 min post 1000 ppm H2S exposure - 4

C - 1: Peak height of 72 h post 1000 ppm H2S exposure - 1

C - 2: Peak height of 72 h post 1000 ppm H2S exposure - 2

C - 3: Peak height of 72 h post 1000 ppm H2S exposure - 3

C - 4: Peak height of 72 h post 1000 ppm H2S exposure - 4

C - 5: Peak height of 72 h post 1000 ppm H2S exposure - 5

D - 1: Peak height of Room air normal control group for 5 ppm H2S exposure - 1

D - 2: Peak height of Room air normal control group for 5 ppm H2S exposure - 2

D - 3: Peak height of Room air normal control group for 5 ppm H2S exposure - 3

D - 4: Peak height of Room air normal control group for 5 ppm H2S exposure - 4

E - 1: Peak height of 5 ppm H2S exposure - 1

E - 2: Peak height of 5 ppm H2S exposure - 2

E - 3: Peak height of 5 ppm H2S exposure - 3

E - 4: Peak height of 5 ppm H2S exposure - 4

E - 5: Peak height of 5 ppm H2S exposure - 4

pool_001: Peak height of Pooled quality control 1

pool_002: Peak height of Pooled quality control 2

4. Abbreviation:

na: Non-identified Pubchem or KEGG ID

## DATA-SPECIFIC INFORMATION FOR: Lipid data.txt

1. number of headers: 38

2. number of data (Identified metabolites): 565

3. Header list:

identifier: ID of identified metabolite

name: Name of identified metabolite

ion species: Ion species

InChiKey: International Chemical Identifier

m/z: Mass-to-charge ratio

ESI mode: ESI mode

ret.time: Retention time (minutes)

A - 1: Peak height of Room air normal control group for 1000 ppm H2S exposure - 1

A - 2: Peak height of Room air normal control group for 1000 ppm H2S exposure - 2

A - 3: Peak height of Room air normal control group for 1000 ppm H2S exposure - 3

A - 4: Peak height of Room air normal control group for 1000 ppm H2S exposure - 4

A - 5: Peak height of Room air normal control group for 1000 ppm H2S exposure - 5

B - 1: Peak height of 5 min post 1000 ppm H2S exposure - 1

B - 2: Peak height of 5 min post 1000 ppm H2S exposure - 2

B - 3: Peak height of 5 min post 1000 ppm H2S exposure - 3

B - 4: Peak height of 5 min post 1000 ppm H2S exposure - 4

C - 1: Peak height of 72 h post 1000 ppm H2S exposure - 1

C - 2: Peak height of 72 h post 1000 ppm H2S exposure - 2

C - 3: Peak height of 72 h post 1000 ppm H2S exposure - 3

C - 4: Peak height of 72 h post 1000 ppm H2S exposure - 4

C - 5: Peak height of 72 h post 1000 ppm H2S exposure - 5

D - 1: Peak height of Room air normal control group for 5 ppm H2S exposure - 1

D - 2: Peak height of Room air normal control group for 5 ppm H2S exposure - 2

D - 3: Peak height of Room air normal control group for 5 ppm H2S exposure - 3

D - 4: Peak height of Room air normal control group for 5 ppm H2S exposure - 4

E - 1: Peak height of 5 ppm H2S exposure - 1

E - 2: Peak height of 5 ppm H2S exposure - 2

E - 3: Peak height of 5 ppm H2S exposure - 3

E - 4: Peak height of 5 ppm H2S exposure - 4

E - 5: Peak height of 5 ppm H2S exposure - 4

PoolQC001: Peak height of Pooled quality control 1

PoolQC002: Peak height of Pooled quality control 2

PoolQC003: Peak height of Pooled quality control 3

PoolQC004: Peak height of Pooled quality control 4

MtdBlank001: Peak height of Blank - 1

MtdBlank002: Peak height of Blank - 2

MtdBlank003: Peak height of Blank - 3

MtdBlank004: Peak height of Blank - 4

Missing data code: na