| SpectraBase Spectrum ID |
7NkN9vHYmhO |
| Name |
Cer 22:3;2O/12:0;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
549.475709509 u |
| Formula |
C34H63NO4 |
| InChI |
InChI=1S/C34H63NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-24-26-28-32(37)31(30-36)35-34(39)33(38)29-27-25-22-12-10-8-6-4-2/h16-17,20-21,26,28,31-33,36-38H,3-15,18-19,22-25,27,29-30H2,1-2H3,(H,35,39)/b17-16+,21-20+,28-26+ |
| InChIKey |
LLIDYZHQVDAXIS-MVYRNIOTNA-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 |
CCCCCCCCCCC(O)C(=O)NC(CO)C(O)\C=C\CC\C=C\CC\C=C\CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
