| SpectraBase Spectrum ID |
JhZVzQWovnj |
| Name |
HexCer 18:2;3O/14:1;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
699.492147416 u |
| Formula |
C38H69NO10 |
| InChI |
InChI=1S/C38H69NO10/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-30(41)33(43)29(28-48-38-36(46)35(45)34(44)32(27-40)49-38)39-37(47)31(42)26-24-22-20-17-14-12-10-8-6-4-2/h10-13,18-19,29-36,38,40-46H,3-9,14-17,20-28H2,1-2H3,(H,39,47)/b12-10-,13-11+,19-18+ |
| InChIKey |
HNTHYAKASMQQJT-VZUJBPNVNA-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 |
CCCCC\C=C\CC\C=C\CCCC(O)C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCC\C=C/CCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
