| SpectraBase Spectrum ID |
K4EeVHoyCpn |
| Name |
HexCer 15:1;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 |
685.476497351 u |
| Formula |
C37H67NO10 |
| InChI |
InChI=1S/C37H67NO10/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-30(41)36(46)38-28(27-47-37-35(45)34(44)33(43)31(26-39)48-37)32(42)29(40)24-22-20-18-16-12-10-8-6-4-2/h15-18,21,23,28-35,37,39-45H,3-14,19-20,22,24-27H2,1-2H3,(H,38,46)/b17-15-,18-16+,23-21- |
| InChIKey |
HQAPQLGPZKFBBS-LGYWFGJFNA-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/C\C=C/CC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCC\C=C\CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
