| SpectraBase Spectrum ID |
LMyNXiXata0 |
| Name |
HexCer 13:0;3O/12:1;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
605.413897094 u |
| Formula |
C31H59NO10 |
| InChI |
InChI=1S/C31H59NO10/c1-3-5-7-9-11-13-15-17-19-24(35)30(40)32-22(26(36)23(34)18-16-14-12-10-8-6-4-2)21-41-31-29(39)28(38)27(37)25(20-33)42-31/h13,15,22-29,31,33-39H,3-12,14,16-21H2,1-2H3,(H,32,40)/b15-13- |
| InChIKey |
PVMPFSDSEBMIBO-SQFISAMPNA-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 |
CCCCCCCCCC(O)C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CC\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
