Record Information |
---|
Version | 5.0 |
---|
Status | Expected but not Quantified |
---|
Creation Date | 2012-09-06 21:03:27 UTC |
---|
Update Date | 2023-02-21 17:18:37 UTC |
---|
HMDB ID | HMDB0029039 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | Serylglycine |
---|
Description | Serylglycine, also known as L-ser-gly or SG, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Serylglycine has been detected, but not quantified in, several different foods, such as mangos (Mangifera indica), anises (Pimpinella anisum), lemon verbenas (Aloysia triphylla), oat bread, and robusta coffees (Coffea canephora). This could make serylglycine a potential biomarker for the consumption of these foods. Serylglycine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Serylglycine. |
---|
Structure | InChI=1S/C5H10N2O4/c6-3(2-8)5(11)7-1-4(9)10/h3,8H,1-2,6H2,(H,7,11)(H,9,10)/t3-/m0/s1 |
---|
Synonyms | Value | Source |
---|
L-Ser-gly | ChEBI | Serinyl-glycine | ChEBI | SG | ChEBI | L-Serylglycine | HMDB | N-L-Serylglycine | HMDB | N-Serylglycine | HMDB | NSC 88482 | HMDB | S-g Dipeptide | HMDB | SG Dipeptide | HMDB | Ser-gly | HMDB | Serine glycine dipeptide | HMDB | Serine-glycine dipeptide | HMDB | Serinylglycine | HMDB | Seryl-glycine | HMDB |
|
---|
Chemical Formula | C5H10N2O4 |
---|
Average Molecular Weight | 162.145 |
---|
Monoisotopic Molecular Weight | 162.06405681 |
---|
IUPAC Name | 2-[(2S)-2-amino-3-hydroxypropanamido]acetic acid |
---|
Traditional Name | [(2S)-2-amino-3-hydroxypropanamido]acetic acid |
---|
CAS Registry Number | 687-63-8 |
---|
SMILES | N[C@@H](CO)C(=O)NCC(O)=O |
---|
InChI Identifier | InChI=1S/C5H10N2O4/c6-3(2-8)5(11)7-1-4(9)10/h3,8H,1-2,6H2,(H,7,11)(H,9,10)/t3-/m0/s1 |
---|
InChI Key | WOUIMBGNEUWXQG-VKHMYHEASA-N |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic acids and derivatives |
---|
Class | Carboxylic acids and derivatives |
---|
Sub Class | Amino acids, peptides, and analogues |
---|
Direct Parent | Dipeptides |
---|
Alternative Parents | |
---|
Substituents | - Alpha-dipeptide
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Serine or derivatives
- Alpha-amino acid or derivatives
- Amino acid or derivatives
- Carboxamide group
- Amino acid
- Carboxylic acid salt
- Secondary carboxylic acid amide
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Alcohol
- Organooxygen compound
- Organonitrogen compound
- Primary alcohol
- Primary amine
- Organic zwitterion
- Primary aliphatic amine
- Organic salt
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organopnictogen compound
- Amine
- Organic oxygen compound
- Organic nitrogen compound
- Aliphatic acyclic compound
|
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
Physiological effect | Not Available |
---|
Disposition | |
---|
Process | |
---|
Role | Not Available |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Molecular Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | -5.0 | Extrapolated |
|
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | |
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
---|
Serylglycine,1TMS,isomer #1 | C[Si](C)(C)OC[C@H](N)C(=O)NCC(=O)O | 1703.7 | Semi standard non polar | 33892256 | Serylglycine,1TMS,isomer #2 | C[Si](C)(C)OC(=O)CNC(=O)[C@@H](N)CO | 1732.6 | Semi standard non polar | 33892256 | Serylglycine,1TMS,isomer #3 | C[Si](C)(C)N[C@@H](CO)C(=O)NCC(=O)O | 1746.8 | Semi standard non polar | 33892256 | Serylglycine,1TMS,isomer #4 | C[Si](C)(C)N(CC(=O)O)C(=O)[C@@H](N)CO | 1728.4 | Semi standard non polar | 33892256 | Serylglycine,2TMS,isomer #1 | C[Si](C)(C)OC[C@H](N)C(=O)NCC(=O)O[Si](C)(C)C | 1773.7 | Semi standard non polar | 33892256 | Serylglycine,2TMS,isomer #2 | C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)NCC(=O)O | 1782.0 | Semi standard non polar | 33892256 | Serylglycine,2TMS,isomer #3 | C[Si](C)(C)OC[C@H](N)C(=O)N(CC(=O)O)[Si](C)(C)C | 1727.3 | Semi standard non polar | 33892256 | Serylglycine,2TMS,isomer #4 | C[Si](C)(C)N[C@@H](CO)C(=O)NCC(=O)O[Si](C)(C)C | 1825.8 | Semi standard non polar | 33892256 | Serylglycine,2TMS,isomer #5 | C[Si](C)(C)OC(=O)CN(C(=O)[C@@H](N)CO)[Si](C)(C)C | 1721.4 | Semi standard non polar | 33892256 | Serylglycine,2TMS,isomer #6 | C[Si](C)(C)N([C@@H](CO)C(=O)NCC(=O)O)[Si](C)(C)C | 1896.6 | Semi standard non polar | 33892256 | Serylglycine,2TMS,isomer #7 | C[Si](C)(C)N[C@@H](CO)C(=O)N(CC(=O)O)[Si](C)(C)C | 1802.6 | Semi standard non polar | 33892256 | Serylglycine,3TMS,isomer #1 | C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C | 1829.0 | Semi standard non polar | 33892256 | Serylglycine,3TMS,isomer #1 | C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C | 1854.0 | Standard non polar | 33892256 | Serylglycine,3TMS,isomer #2 | C[Si](C)(C)OC[C@H](N)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C | 1761.4 | Semi standard non polar | 33892256 | Serylglycine,3TMS,isomer #2 | C[Si](C)(C)OC[C@H](N)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C | 1853.5 | Standard non polar | 33892256 | Serylglycine,3TMS,isomer #3 | C[Si](C)(C)OC[C@@H](C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1940.9 | Semi standard non polar | 33892256 | Serylglycine,3TMS,isomer #3 | C[Si](C)(C)OC[C@@H](C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1878.5 | Standard non polar | 33892256 | Serylglycine,3TMS,isomer #4 | C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C | 1810.2 | Semi standard non polar | 33892256 | Serylglycine,3TMS,isomer #4 | C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C | 1883.9 | Standard non polar | 33892256 | Serylglycine,3TMS,isomer #5 | C[Si](C)(C)OC(=O)CNC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C | 1942.3 | Semi standard non polar | 33892256 | Serylglycine,3TMS,isomer #5 | C[Si](C)(C)OC(=O)CNC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C | 1863.3 | Standard non polar | 33892256 | Serylglycine,3TMS,isomer #6 | C[Si](C)(C)N[C@@H](CO)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C | 1799.1 | Semi standard non polar | 33892256 | Serylglycine,3TMS,isomer #6 | C[Si](C)(C)N[C@@H](CO)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C | 1813.0 | Standard non polar | 33892256 | Serylglycine,3TMS,isomer #7 | C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C | 1898.0 | Semi standard non polar | 33892256 | Serylglycine,3TMS,isomer #7 | C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C | 1901.2 | Standard non polar | 33892256 | Serylglycine,4TMS,isomer #1 | C[Si](C)(C)OC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1948.3 | Semi standard non polar | 33892256 | Serylglycine,4TMS,isomer #1 | C[Si](C)(C)OC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1949.7 | Standard non polar | 33892256 | Serylglycine,4TMS,isomer #2 | C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C | 1839.8 | Semi standard non polar | 33892256 | Serylglycine,4TMS,isomer #2 | C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C | 1910.4 | Standard non polar | 33892256 | Serylglycine,4TMS,isomer #3 | C[Si](C)(C)OC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1957.9 | Semi standard non polar | 33892256 | Serylglycine,4TMS,isomer #3 | C[Si](C)(C)OC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1978.2 | Standard non polar | 33892256 | Serylglycine,4TMS,isomer #4 | C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1928.5 | Semi standard non polar | 33892256 | Serylglycine,4TMS,isomer #4 | C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1947.1 | Standard non polar | 33892256 | Serylglycine,5TMS,isomer #1 | C[Si](C)(C)OC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 2025.6 | Semi standard non polar | 33892256 | Serylglycine,5TMS,isomer #1 | C[Si](C)(C)OC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 2020.3 | Standard non polar | 33892256 | Serylglycine,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)NCC(=O)O | 1976.7 | Semi standard non polar | 33892256 | Serylglycine,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@@H](N)CO | 1980.5 | Semi standard non polar | 33892256 | Serylglycine,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)NCC(=O)O | 2029.9 | Semi standard non polar | 33892256 | Serylglycine,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@@H](N)CO | 1989.4 | Semi standard non polar | 33892256 | Serylglycine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C | 2241.3 | Semi standard non polar | 33892256 | Serylglycine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O | 2249.8 | Semi standard non polar | 33892256 | Serylglycine,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C | 2220.5 | Semi standard non polar | 33892256 | Serylglycine,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C | 2288.6 | Semi standard non polar | 33892256 | Serylglycine,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C | 2214.9 | Semi standard non polar | 33892256 | Serylglycine,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)N([C@@H](CO)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C | 2395.1 | Semi standard non polar | 33892256 | Serylglycine,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C | 2289.9 | Semi standard non polar | 33892256 | Serylglycine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C | 2461.3 | Semi standard non polar | 33892256 | Serylglycine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C | 2430.5 | Standard non polar | 33892256 | Serylglycine,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2427.1 | Semi standard non polar | 33892256 | Serylglycine,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2434.6 | Standard non polar | 33892256 | Serylglycine,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2617.2 | Semi standard non polar | 33892256 | Serylglycine,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2456.6 | Standard non polar | 33892256 | Serylglycine,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C | 2487.6 | Semi standard non polar | 33892256 | Serylglycine,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C | 2440.9 | Standard non polar | 33892256 | Serylglycine,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2620.9 | Semi standard non polar | 33892256 | Serylglycine,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2460.0 | Standard non polar | 33892256 | Serylglycine,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2501.1 | Semi standard non polar | 33892256 | Serylglycine,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2411.0 | Standard non polar | 33892256 | Serylglycine,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2597.0 | Semi standard non polar | 33892256 | Serylglycine,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2484.0 | Standard non polar | 33892256 | Serylglycine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2833.7 | Semi standard non polar | 33892256 | Serylglycine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2677.3 | Standard non polar | 33892256 | Serylglycine,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2697.1 | Semi standard non polar | 33892256 | Serylglycine,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2644.9 | Standard non polar | 33892256 | Serylglycine,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2829.4 | Semi standard non polar | 33892256 | Serylglycine,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2698.9 | Standard non polar | 33892256 | Serylglycine,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2812.1 | Semi standard non polar | 33892256 | Serylglycine,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2702.9 | Standard non polar | 33892256 | Serylglycine,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3057.8 | Semi standard non polar | 33892256 | Serylglycine,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2902.1 | Standard non polar | 33892256 |
|
---|
| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - Serylglycine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Serylglycine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 1V, negative-QTOF | splash10-03di-0900000000-d5c3075acfc0b52d5da6 | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 1V, negative-QTOF | splash10-03di-0900000000-b97e39f289be342b9d13 | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 1V, negative-QTOF | splash10-03di-0900000000-66a523c33b89e7846347 | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 2V, negative-QTOF | splash10-03di-0900000000-7cfcdc802cc66d5470de | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 2V, negative-QTOF | splash10-03di-0900000000-2b4970df82fe177b180d | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 2V, negative-QTOF | splash10-03e9-0900000000-f9bac143710659247ae5 | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 3V, negative-QTOF | splash10-001i-1900000000-6faf852a50d9e081588c | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 4V, negative-QTOF | splash10-001i-3900000000-052cc8f0d9780aa96174 | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 5V, negative-QTOF | splash10-0089-8900000000-a4b3da001ffec2b656f6 | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 6V, negative-QTOF | splash10-00ei-9300000000-e7f9f09a593b727b7522 | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 8V, negative-QTOF | splash10-00di-9000000000-585fad608f906ac5a625 | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine n/a 11V, negative-QTOF | splash10-001i-0900000000-5475862e3b1a775322d7 | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine QTOF 10V, positive-QTOF | splash10-03di-9300000000-cb456eebe522c0d725d2 | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine QTOF 15V, positive-QTOF | splash10-03di-9100000000-65fbf7f9295c3e381246 | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine QTOF 20V, positive-QTOF | splash10-03di-9000000000-8e4eee29a51d292ddc76 | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine QTOF 30V, positive-QTOF | splash10-03di-9000000000-0201872bc593d9ebd3ec | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine QTOF 40V, positive-QTOF | splash10-03dl-9000000000-72d3e817ec31418e6807 | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 0V, positive-QTOF | splash10-03di-0900000000-d93f5c8fe2895cd71ffc | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 0V, positive-QTOF | splash10-03di-0900000000-d8cd3e231dd56ad29e4a | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 1V, positive-QTOF | splash10-03di-2900000000-8989ab853921cae47183 | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 1V, positive-QTOF | splash10-03di-5900000000-654fa041f76b798cb9ed | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 2V, positive-QTOF | splash10-03di-9700000000-4fa0c7440dd1a9ad90be | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 2V, positive-QTOF | splash10-03di-9300000000-cd4ffe000d61b6c9c979 | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 3V, positive-QTOF | splash10-03di-9100000000-867843871d5958111a29 | 2020-07-22 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Serylglycine Orbitrap 4V, positive-QTOF | splash10-03di-9000000000-fbbb271759d7562010cb | 2020-07-22 | HMDB team, MONA | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
---|
Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
---|
Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-03 | FELIX lab | View Spectrum |
|
---|