Elling, Felix J; Hemingway, Jordon D; Kharbush, Jenan; Becker, Kevin W; Polik, Catherine Ann; Pearson, Ann (2021): Table S2, Mass-to-charge ratios (m/z) used for selective reaction monitoring of Bacteriohopanepolyols (BHPs) at Quadrupole 1 (Q1) and 3 (Q3) [dataset]. PANGAEA, https://doi.org/10.1594/PANGAEA.936717, In: Elling, FJ et al. (2021): Mediterranean sapropel bulk organic matter and biomarker concentrations and carbon isotope compositions [dataset bundled publication]. PANGAEA, https://doi.org/10.1594/PANGAEA.937082
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Published: 2021-10-05 • DOI registered: 2021-11-16
Abstract:
Bacteriohopanepolyols (BHPs) were analyzed using an Agilent 1290 ultra high-performance liquid chromatograph coupled to an Agilent 6410 triple quadrupole mass spectrometer equipped with an atmospheric chemical ionization interface operated in positive mode, following Kusch et al. (2018).
This work was supported by the Gordon and Betty Moore Foundation.
Keyword(s):
Related to:
Elling, Felix J; Hemingway, Jordon D; Kharbush, Jenan; Becker, Kevin W; Polik, Catherine Ann; Pearson, Ann (2021): Linking diatom-diazotroph symbioses to nitrogen cycle perturbations and deep-water anoxia: Insights from Mediterranean sapropel events. Earth and Planetary Science Letters, 571, 117110, https://doi.org/10.1016/j.epsl.2021.117110
Kusch, Stephanie; Shah Walter, Sunita R; Hemingway, Jordon D; Pearson, Ann (2018): Improved chromatography reveals multiple new bacteriohopanepolyol isomers in marine sediments. Organic Geochemistry, 124, 12-21, https://doi.org/10.1016/j.orggeochem.2018.07.010
Project(s):
Ocean Drilling Program (ODP)
Funding:
National Science Foundation (NSF), grant/award no. EAR-1349126: A window on ancient systems: Understanding the environmental distributions of hopanoids using compound-specific multi-isotope analysis and metagenomics
National Science Foundation (NSF), grant/award no. OCE-1702262: Beyond ocean temperature: Extracting new dimensions of paleoclimatic information from archaeal lipids and their isotopic compositions
National Science Foundation (NSF), grant/award no. OCE-1843285: Carbon isotope fractionation in Archaea using the 3HP/4HB pathway: Prospects for paleo-geochemistry and paleo-barometry
Parameter(s):
| # | Name | Short Name | Unit | Principal Investigator | Method/Device | Comment |
|---|---|---|---|---|---|---|
| 1 | Compounds | Comp | Elling, Felix J | |||
| 2 | Mass-to-charge ratio | m/z | Elling, Felix J | Agilent 1290 ultrahigh performance liquid chromatograph coupled to an Agilent 6410 triple-quadrupole mass spectrometer (UPLC-QqQ-MS) | Quadrupole 1 (Q1), measurement 1 | |
| 3 | Mass-to-charge ratio | m/z | Elling, Felix J | Agilent 1290 ultrahigh performance liquid chromatograph coupled to an Agilent 6410 triple-quadrupole mass spectrometer (UPLC-QqQ-MS) | Quadrupole 1 (Q1), measurement 2 | |
| 4 | Mass-to-charge ratio | m/z | Elling, Felix J | Agilent 1290 ultrahigh performance liquid chromatograph coupled to an Agilent 6410 triple-quadrupole mass spectrometer (UPLC-QqQ-MS) | Quadrupole 1 (Q1), measurement 3 | |
| 5 | Mass-to-charge ratio | m/z | Elling, Felix J | Agilent 1290 ultrahigh performance liquid chromatograph coupled to an Agilent 6410 triple-quadrupole mass spectrometer (UPLC-QqQ-MS) | Quadrupole 3 (Q3) |
License:
Creative Commons Attribution 4.0 International (CC-BY-4.0)
Status:
Curation Level: Enhanced curation (CurationLevelC)
Size:
82 data points
Data
| 1 Comp | 2 m/z (Quadrupole 1 (Q1), measurement 1) | 3 m/z (Quadrupole 1 (Q1), measurement 2) | 4 m/z (Quadrupole 1 (Q1), measurement 3) | 5 m/z (Quadrupole 3 (Q3)) |
|---|---|---|---|---|
| Adenosylhopane | 788.5 | 746.5 | 830.5 | 191.2 |
| 2-Methyl-Adenosylhopane | 760.5 | 802.5 | 844.6 | 205.2 |
| Adenosylhopane Type 2 | 761.5 | 191.2 | ||
| 2-Methyl-Adenosylhopane Type 2 | 775.5 | 205.2 | ||
| Adenosylhopane Type 3 | 802.5 | 191.2 | ||
| 2-Methyl-Adenosylhopane Type 3 | 816.5 | 205.2 | ||
| 35-Aminobacteriohopane-30,31,32,33,34-pentol | 830.5 | 191.2 | ||
| 35-Aminobacteriohopane-31,32,33,34-tetrol | 772.5 | 191.2 | ||
| 35-Aminobacteriohopane-32,33,34-triol | 714.5 | 191.2 | ||
| 2-Methyl-35-Aminobacteriohopane-32,33,34-triol | 728.5 | 205.2 | ||
| 3-Methyl-35-Aminobacteriohopane-32,33,34-triol | 728.5 | 205.2 | ||
| Bacteriohop-6-ene-32,33,34,35-tetrol | 653.5 | 189.2 | ||
| Bacteriohop-11-ene-32,33,34,35-tetrol | 653.5 | 191.2 | ||
| Bacteriohopane-32,33,34,35-tetrol & isomer | 655.5 | 191.2 | ||
| Anhydrobacteriohopanetetrol | 613.5 | 191.2 | ||
| Unsaturated Anhydrobacteriohopanetetrol | 611.5 | 191.2 | ||
| 2-Methyl-Bacteriohopane-32,33,34,35-tetrol | 669.5 | 205.2 | ||
| Bacteriohopane-30,31,32,33,34,35-hexol | 771.5 | 711.5 | 191.2 | |
| 3-Methyl-Bacteriohopane-30,31,32,33,34,35-hexol | 785.5 | 725.5 | 205.2 | |
| Bacteriohopane-32,33,34,35-tetrol cyclitol ether | 1002.6 | 1044.6 | 191.2 | |
| Bacteriohopane-32,33,34,35-tetrol glucosamine | 785.5 | 191.2 | ||
| 3-Methyl-Bacteriohopane-30,31,32,33,34,35-hexol | 730.5 | 205.2 | ||
| Methylcarbamate-aminotriol | 788.5 | 191.2 | ||
| Methylcarbamate-aminotetrol | 846.5 | 191.2 | ||
| Methylcarbamate-aminopentol | 830.5 | 191.2 |