| SpectraBase Compound ID | KpYtFNy6kxU |
|---|---|
| InChI | InChI=1S/C27H51NO5/c1-3-5-7-9-10-12-18-22-27(32)33-24(19-15-11-8-6-4-2)20-16-13-14-17-21-25(29)28-23-26(30)31/h24H,3-23H2,1-2H3,(H,28,29)(H,30,31) |
| InChIKey | NOENKXQCZURSEF-UHFFFAOYNA-N |
| Mol Weight | 469.7 g/mol |
| Molecular Formula | C27H51NO5 |
| Exact Mass | 469.376724 g/mol |
Mass Spectrum (LC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JwrVf4VNHLT |
|---|---|
| Name | NAGly 10:0/15:0 |
| Classification | Fatty acyls [FA] |
| Comments | N-acyl glycine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 469.376723741 u |
| Formula | C27H51NO5 |
| InChI | InChI=1S/C27H51NO5/c1-3-5-7-9-10-12-18-22-27(32)33-24(19-15-11-8-6-4-2)20-16-13-14-17-21-25(29)28-23-26(30)31/h24H,3-23H2,1-2H3,(H,28,29)(H,30,31) |
| InChIKey | NOENKXQCZURSEF-UHFFFAOYNA-N |
| Ion Polarity | N |
| Literature Reference | Tsugawa, H.; Ikeda, K.; Takahashi, M.; Satoh, A.; Mori, Y.; Uchino, H.; Okahashi, N.; Yamada, Y.; Tada, I.; Bonini, P.; Higashi, Y.; Okazaki, Y.; Zhou, Z.; Zhu, Z.-J.; Koelmel, J.; Cajka, T.; Fiehn, O.; Saito, K.; Arita, M.; Arita, M. A Lipidome Atlas in MS-DIAL 4. Nature Biotechnology 2020, 38 (10), 1159–1163. |
| Literature Reference DOI | https://doi.org/10.1038/s41587-020-0531-2 |
| Precursor Ion | [M-H]- |
| SMILES | OC(=O)CN%20.CCCCCCCC%10CCCCCCC(=O)%20.CCCCCCCCCC(=O)O%10 |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |