| SpectraBase Compound ID | 3SjHEx9glv5 |
|---|---|
| InChI | InChI=1S/C34H67NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34(38)33(31-36)35-32(2)37/h29-30,33-34,36,38H,3-28,31H2,1-2H3,(H,35,37)/b30-29+ |
| InChIKey | RMKXHEYVWGGQFC-QVIHXGFCNA-N |
| Mol Weight | 537.9 g/mol |
| Molecular Formula | C34H67NO3 |
| Exact Mass | 537.512095 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 | AHgwgbz5YKg |
|---|---|
| Name | Cer 32:1;2O/2:0 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 537.512095018 u |
| Formula | C34H67NO3 |
| InChI | InChI=1S/C34H67NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34(38)33(31-36)35-32(2)37/h29-30,33-34,36,38H,3-28,31H2,1-2H3,(H,35,37)/b30-29+ |
| InChIKey | RMKXHEYVWGGQFC-QVIHXGFCNA-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+HCOO]- |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(C)=O |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |