| SpectraBase Spectrum ID |
37drPc3An9K |
| Name |
Cer 27:3;2O/40:2;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1007.960861505 u |
| Formula |
C67H125NO4 |
| InChI |
InChI=1S/C67H125NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-56-58-60-62-66(71)67(72)68-64(63-69)65(70)61-59-57-55-53-51-49-47-45-43-41-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,32-33,43,45,51,53,59,61,64-66,69-71H,3-28,31,34-42,44,46-50,52,54-58,60,62-63H2,1-2H3,(H,68,72)/b30-29-,33-32-,45-43+,53-51+,61-59+ |
| InChIKey |
JNGUOGWXFNUYNW-OFIOZVHZNA-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 |
CCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)\C=C\CC\C=C\CC\C=C\CCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
