| SpectraBase Spectrum ID |
AqE6g0Jsf0c |
| Name |
Cer 27:2;3O/40:2 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1009.976511569 u |
| Formula |
C67H127NO4 |
| InChI |
InChI=1S/C67H127NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-56-58-60-62-66(71)68-64(63-69)67(72)65(70)61-59-57-55-53-51-49-47-45-43-41-24-22-20-18-16-14-12-10-8-6-4-2/h28-29,31-32,45,47,53,55,64-65,67,69-70,72H,3-27,30,33-44,46,48-52,54,56-63H2,1-2H3,(H,68,71)/b29-28-,32-31-,47-45+,55-53+ |
| InChIKey |
DRJAOINGBMWLKB-SMPPENLVNA-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 |
CCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCC\C=C\CC\C=C\CCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
