Dataset
![molecular Image]()
electron ionisation mass spectrometry (EI-MS)
Chemical Info
| InChI | InChI=1S/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)/t2-/m0/s1 |
|---|---|
| SMILES | NC(=O)[C@@H](N)C |
| InChI Key | HQMLIDZJXVVKCW-REOHCLBHSA-N |
| Molecular Formula | C3H8N2O |
| Exact Mass | 88.108 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/HQMLIDZJXVVKCW-REOHCLBHSA-N/Mass/EI |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/HQMLIDZJXVVKCW-REOHCLBHSA-N/Mass/EI |
| Version | |
| Author | Carmen Cardenal |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-06T23:42:59.181199 |
| MetadataModified | 2024-09-07T13:00:44.069633 |
| MetadataPublished | 2014-05-27 |
| Field | Value |
|---|---|
| Measurement Technique | electron ionisation mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| MCULE-4716963408 | Mcule |
| SCHEMBL43026 | SureChEMBL |
| 253690 | Brenda |
| J353.751J | Nikkaji |
| DTXSID60223470 | EPA CompTox Dashboard |
| 66N | PDBe |
| 20327 | Brenda |
| 100027 | Brenda |
| 168582 | Brenda |
| 36626 | Brenda |
| 12954 | Brenda |
| 133494 | Brenda |
| ZINC000002046876 | ZINC |
| 2870855 | eMolecules |
| 444939 | PubChem |
| 21217 | ChEBI |
| 14867141 | PubChem: Thomson Pharma |
| GOD06L4T27 | FDA SRS |
| The data in this table is sourced from UniChem at EBI. | |