| SpectraBase Spectrum ID |
JTCrrCgH1Tq |
| Name |
Cer 14:1;3O/18:1 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
523.460059444 u |
| Formula |
C32H61NO4 |
| InChI |
InChI=1S/C32H61NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-31(36)33-29(28-34)32(37)30(35)26-24-22-20-12-10-8-6-4-2/h12-14,20,29-30,32,34-35,37H,3-11,15-19,21-28H2,1-2H3,(H,33,36)/b14-13-,20-12+ |
| InChIKey |
YTLLWMPMQFDCAW-UHEPKXNYNA-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 |
CCCCCC\C=C/CCCCCCCCCC(=O)NC(CO)C(O)C(O)CCC\C=C\CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
