| SpectraBase Spectrum ID |
57xb6Qo6w1H |
| Name |
Cer 16:1;2O/17:1 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
521.480794890 u |
| Formula |
C33H63NO3 |
| InChI |
InChI=1S/C33H63NO3/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-33(37)34-31(30-35)32(36)28-26-24-22-20-18-14-12-10-8-6-4-2/h15-16,26,28,31-32,35-36H,3-14,17-25,27,29-30H2,1-2H3,(H,34,37)/b16-15-,28-26+ |
| InChIKey |
REWOOBZIGDWGDI-AIBXHCPPNA-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+CH3COO]- |
| SMILES |
CCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCC\C=C/CCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
