| SpectraBase Spectrum ID |
FAj7ANTxinS |
| Name |
Cer 10:1;2O/17:1 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.386894503 u |
| Formula |
C27H51NO3 |
| InChI |
InChI=1S/C27H51NO3/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23-27(31)28-25(24-29)26(30)22-20-18-8-6-4-2/h12-13,20,22,25-26,29-30H,3-11,14-19,21,23-24H2,1-2H3,(H,28,31)/b13-12-,22-20+ |
| InChIKey |
MWMGYPGGNUJMOT-MEDDOVPHNA-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 |
CCCCCCC\C=C/CCCCCCCC(=O)NC(CO)C(O)\C=C\CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
