| SpectraBase Spectrum ID |
FA6FT4KUpPM |
| Name |
Cer 21:2;3O/16:2 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
589.507009637 u |
| Formula |
C37H67NO4 |
| InChI |
InChI=1S/C37H67NO4/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-35(40)37(42)34(33-39)38-36(41)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-19,22-23,25-26,28,34-35,37,39-40,42H,3-16,20-21,24,27,29-33H2,1-2H3,(H,38,41)/b18-17+,22-19-,25-23+,28-26- |
| InChIKey |
YNCVHWOQZQEKOW-OAAAZGRZNA-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 |
CCCCCCCC\C=C\CC\C=C\CCCC(O)C(O)C(CO)NC(=O)CC\C=C/C\C=C/CCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
