atmospheric pressure chemical ionisation mass...
URL: https://www.chemotion-repository.net/inchikey/GKGLZZUSNNEKSZ-JCDPWUBBSA-N/CHMO0000473
Dataset description:
dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)\n\n
Source: atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
Chemical Info
| InChI | InChI=1S/C27H26N2O5/c1-16-24(28-26(31)34-15-17-9-5-4-6-10-17)23-21(13-18(32-2)14-22(23)33-3)27(16)20-12-8-7-11-19(20)25(30)29-27/h4-14,16,24H,15H2,1-3H3,(H,28,31)(H,29,30)/t16-,24-,27+/m1/s1 |
|---|---|
| SMILES | COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)OCc1ccccc1)C |
| InChI Key | GKGLZZUSNNEKSZ-JCDPWUBBSA-N |
| Molecular Formula | C27H26N2O5 |
| Exact Mass | 458.506 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 8, 2024 |
| Metadata last updated | September 8, 2024 |
| Created | September 8, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | e7bc5b77-ee02-4bc1-b4a8-0edd324d836b |
| Package id | 10-14272-gkglzzusnneksz-jcdpwubbsa-n-chmo0000473 |
| Resource type | HTML |
| State | active |