| SpectraBase Spectrum ID |
7aHwkRiKdxi |
| Name |
HexCer 13:0;3O/16:2;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
659.460847287 u |
| Formula |
C35H65NO10 |
| InChI |
InChI=1S/C35H65NO10/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-28(39)34(44)36-26(30(40)27(38)22-20-18-16-10-8-6-4-2)25-45-35-33(43)32(42)31(41)29(24-37)46-35/h14-15,19,21,26-33,35,37-43H,3-13,16-18,20,22-25H2,1-2H3,(H,36,44)/b15-14-,21-19- |
| InChIKey |
HLKKQXWREKWPFK-BAVUERNLNA-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-H]- |
| SMILES |
CCCCCCCCCC(O)C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)C\C=C/C\C=C/CCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
